Protein ALDH18A1

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

Protein ID	Structure	Start	End	E value	Bit score
YOR323C	pdb,1o20,A,#1	8	431	2.16e-85	36.3
T22H6.2b	pdb,1o20,A,#1	358	768	8.19e-80	35.024
ENSGMOP00000018141	pdb,1o20,A,#1	340	746	4.4e-76	35.766
ENSDARP00000137162	pdb,1o20,A,#1	345	751	7.9e-76	35.835
ENSXMAP00000014717	pdb,1o20,A,#1	150	537	8.95e-76	35.459
ENSTNIP00000016410	pdb,1o20,A,#1	365	771	9.15e-76	35.904
ENSORLP00000016537	pdb,1o20,A,#1	329	733	6.56e-75	34.963
ENSTRUP00000045063	pdb,1o20,A,#1	382	791	1.11e-73	35.167
FBpp0301603	pdb,1o20,A,#1	352	755	1.16e-73	35.024
ENSPFOP00000030989	pdb,1o20,A,#1	347	753	1.41e-73	34.55
ENSORLP00000010498	pdb,1o20,A,#1	343	749	1.44e-73	33.82

Alignment variation features

Conservative sites proportion	Intermediate sites proportion	Variable sites proportion	Conservative sites heterotachy weight	Intermediate sites heterotachy weight	Variable sites heterotachy weight
0.043	0.097	0.86	0.297	0.508	0.195

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
0.587540279269603	0.236305048335124	0.0257787325456498	0.0107411385606874	0.00429645542427497	0.00644468313641246	0.00429645542427497	0.124597207303974

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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)

0.018163158 0.885847056 1.390560581 17.257780188 0.000530758 5.659315736 129.047925898 0.157931742 0.051850662 5.705562348 76.656456782 0.000011569 0.046765527 0.053411215 0.151187503 186.142849438 0.260529554 0.311458592 0.666109074 6.237748648 7.068987822 98.251923934 0.000000031 0.000104070 0.170217280 0.125942324 7.180912412 0.122270601 22.040349388 0.008578040 0.031605822 0.000878018 0.316456121 0.470958151 0.062305016 7.669115050 15.077312198 0.002165729 0.000009417 0.000023088 0.005412376 0.057186131 0.391156786 0.003155180 8.026394406 8.683662955 0.016680900 0.045118138 0.000603760 0.000827198 0.256528660 0.293716964 0.000086696 0.040417572 7.494348852 20.003718707 0.000288855 0.000000010 0.000407196 0.278282417 0.009096129 0.226089478 0.120593201 0.001335965 0.069888868 10.968791857 29.148416143 0.012510465 0.000000001 0.000000731 0.000071494 0.021383309 0.615406700 0.217839255 0.399000946 0.139801313 0.326019667 12.961916447 0.299656800 0.054273244 0.000000001 0.233485345 0.000001005 0.246780071 0.332577861 0.000000001 0.000147564 0.007814557 0.000008386 0.001512022 44.951842118 0.000028387 0.085806163 0.000000001 0.000000001 0.000000001 0.000000001 0.381395216 0.000000001 0.000000001 0.000000001 0.000000002 0.341218249 0.000000007 102.772518389 14311.769565082 0.032809108 1.812954002 14.379305661 179.501174443 5.529364171 31.307373465 9.425766376 5.948472827 0.519283855 1.148069845 7.645349866 0.035454136 0.011518873 0.000000046 0.000028387 0.104197518 0.771042251 0.000000001 0.000000001 0.000000001 0.000000001 0.659036009 0.000000001 0.000000001 0.000000002 0.000000003 13.386904720 31.833683638 0.001338995 0.000002631 0.000030173 0.000000001 0.000000001 0.000000005 0.000000001 0.000009789 0.000000031 0.000026714 0.060822912 0.000000560 0.000000002 0.000000003 0.019284854 0.000000019 221.020596231 0.000002631 0.000000248 12.184470567 0.000000001 0.261410582 1.496096201 5.808881449 0.000539346 0.417410731 0.000023299 10.605881493 0.716002109 0.004641677 0.058195102 22.733338500 93.379345751 0.000000046 61.550221156 0.000000248 0.000001552 12.909504844 0.000000001 0.000000001 0.187729069 0.000026442 1.304833072 0.005054559 0.063427831 0.877327429 0.000000068 0.000000002 0.000000003 6.152104221 0.000000019 6.420310556 0.008868172 0.000000248 2183.098976109 0.000002545 0.000003523 0.190160000 0.094355400 0.077296500 0.098387100 0.091213200 0.105188000 0.077289100 0.077993800 0.077196700 0.053306600 0.033904400 0.014192900 0.005181210 0.002170300 0.000038005 0.000403010 0.000109875 0.000306844 0.001302720