Protein Surface Characterization Using an Invariant Descriptor

Table 1

Ranking the screened proteins according to their similarity to the query protein. Results are shown for the Top 30 hits for one query protein from each of the three groups, using DATASET-A (416 protein chains).

(a) DRC on query protein 1UDI chain I (Group 1)

Protein PDB ID	Chain	Rank	Distance
1UDI	I	1	0
2ZHX	B	2	2.1306
1LQM	B	3	2.3509
1LQG	C	4	2.4589
2UUG	C	5	2.5353
1EUI	C	7	2.5920
2ZHX	L	8	2.6104
1UGH	I	10	2.6349
2UGI	A	15	2.6809
1UGI	E	16	2.6872
2ZHX	H	19	2.6969
2ZHX	D	21	2.7006
2ZHX	N	22	2.7017
2ZHX	J	23	2.7141
1UGI	G	25	2.7261
1EMJ	A	42	2.7758
2BOO	A	45	2.7808
1UGI	D	47	2.7868
2OWR	B	50	2.7952
2J8X	D	61	2.8129
1LQG	D	70	2.8263
1Q3F	A	90	2.8533
2UUG	D	99	2.8675
1UGI	A	101	2.8689
2OWR	C	110	2.8749
2ZHX	F	116	2.885
2OWQ	B	129	2.8977
1SSP	E	141	2.9115
1UGI	C	142	2.9117
2ZHX	A	147	2.915

(b) DRC on query protein 1QKN chain A (Group 2)

Protein PDB ID	Chain	Rank	Distance
1QKN	A	1	0
2J7X	A	2	1.3769
2J7Y	A	3	1.5753
1QKM	A	4	1.6793
1NDE	A	5	1.7368
2GIU	A	6	1.7371
1L2I	A	7	1.7460
1U3R	B	8	1.7670
3ERD	A	9	1.7683
3OS9	A	10	1.7715
2IOG	A	11	1.7738
3LTX	C	12	1.7742
1YIM	A	13	1.7854
3ERT	A	14	1.7966
1U3Q	D	15	1.8009
1YY4	A	16	1.8090
2OUZ	A	17	1.8126
1YIN	A	18	1.8152
1XP6	A	19	1.8260
2AYR	A	20	1.8269
3OS8	D	21	1.8311
2QH6	A	22	1.8312
3OSA	A	23	1.8367
1L2J	A	24	1.8385
2JJ3	A	25	1.8438
1G50	A	26	1.8490
3OS8	A	27	1.8509
2FSZ	A	28	1.8518
2QGW	A	29	1.8604
1UOM	A	30	1.8683

(c) DRC on query protein 1YKR chain A (Group 3)

Protein PDB ID	Chain	Rank	Distance
1YKR	A	1	0
2UZO	A	2	1.0396
2R3O	A	3	1.0810
3PXY	A	4	1.0846
3PY1	A	5	1.0940
2WMA	A	6	1.1389
2IW6	A	7	1.1609
3NS9	A	8	1.2043
3IGG	A	9	1.2141
2WFY	A	10	1.2179
2C5Y	A	11	1.2270
3DDP	A	12	1.2280
2J9M	A	13	1.2284
2R3J	A	14	1.2374
2R3L	A	15	1.2402
3PXR	A	16	1.2422
2DUV	A	17	1.2534
1W8C	A	18	1.2586
3DOG	A	19	1.2793
2V22	A	20	1.2822
2R3P	A	21	1.2883
2V22	C	22	1.2963
3IG7	A	23	1.3207
2JGZ	A	24	1.3275
2R64	A	25	1.3303
2WHB	A	26	1.3381
2VTN	A	27	1.3458
3LFN	A	28	1.3476
2WIP	A	29	1.3514
2BKZ	A	30	1.3580