Relating the shape of protein binding sites to binding affinity profiles: is there an association?

BMC Structural Biology

Table 2 Explained variances of PCA Factors obtained from the MAF Matrix

Factor Number	Explained Variance	Cumulative Explained Variance
1	0.1816	0.1816
2	0.0768	0.2584
3	0.0574	0.3158
4	0.0382	0.3539
5	0.0322	0.3861
6	0.0309	0.4171
7	0.0247	0.4417
8	0.0236	0.4653
9	0.0197	0.4850
10	0.0181	0.5032
11	0.0169	0.5200
12	0.0164	0.5364
13	0.0147	0.5511
14	0.0139	0.5650
15	0.0127	0.5777
16	0.0123	0.5900
17	0.0118	0.6018
18	0.0113	0.6131
19	0.0107	0.6239
20	0.0105	0.6344
21	0.0100	0.6443
22	0.0089	0.6533
23	0.0087	0.6619
24	0.0082	0.6702
25	0.0080	0.6781
26	0.0078	0.6860
27	0.0073	0.6933
28	0.0070	0.7003
29	0.0069	0.7072
30	0.0068	0.7139
31	0.0064	0.7203
32	0.0063	0.7266
33	0.0061	0.7327
34	0.0059	0.7386
35	0.0058	0.7444
36	0.0056	0.7500
37	0.0053	0.7553
38	0.0052	0.7605
39	0.0051	0.7656
40	0.0050	0.7706

The first 40 factors obtained from the factor analysis of the MAF profiles of 154 target proteins are displayed. 30 factors were retained in accordance with the average variance criterion (i.e., explaining individually more than 1/154 = 0.65% of the total variance). They explain cumulatively 71.4% of the total variance.

ISSN: 1472-6807