Detecting groups of coevolving positions in a molecule: a clustering approach

Table 1 Correlation analysis results for the myoglobin data set.

PDB	Size	Weight	Stat.	Nmin	p-value	FDR	3D dist.	3D p-value
THR39, GLY65, LEU76, GLU148	4	Volume	1	26.62	0.0044**	yes	28.21	0.1688†
THR39, GLY65, LEU76	3	Unweighted	1	0.98	0.0136*	yes	23.64	0.1409†
LEU11, ALA94, ILE111, ARG118, GLY150	5	Grantham	0.87	78.46	0.0045**	yes	38.14	0.7023†
LEU11, ALA94, ARG118, GLY150	4	Polarity	0.96	2.55	0.0065**	yes	38.14	0.8252†
LEU11, ALA94, ILE111, MET131, LEU135, LEU149, GLY150	7	Volume	0.82	20.89	0.007**	yes	33.1	0.1668†
GLY5, GLY23, GLU52, GLN91	4	Unweighted	0.47	2.67	0.0148*	yes	37.62	0.7952
LYS56, TYR103	2	Volume	0.96	84.01	0.0189*	yes	21.25	0.3506
ARG31, SER117	2	Volume	0.75	137.41	0.0241*	yes	11.89	0.023*‡
SER58, GLU85	2	Unweighted	0.72	1.9	0.0245*	yes	28.12	0.6853
ALA15, LYS63, ALA84, GLU85, GLN91	5	Grantham	0.5	133.99	0.032*	yes	27.7	0.0819.
ALA15, LEU61, ALA84	3	Unweighted	0.53	2.27	0.0346*	no	26.43	0.2817
ASP20, PHE33, LEU69, THR95	4	Volume	0.97	20.99	0.0347*	yes	31.15	0.3197†
PHE33, LEU69	2	Unweighted	1	1	0.0347*	no	16.14	0.1309‡
GLY121, ASP122	2	Unweighted	0.6	3.55	0.0379*	no	3.63	0.001***
ASP20, GLY23, ASP60, LYS63, ALA84, GLU85, LYS96	7	Charge	0.46	0.99	0.0379*	yes	29.33	0.035*†
GLU105, GLU136	2	Unweighted	0.74	1.77	0.0444*	no	8.25	0.003**
TRP7, LYS47, LYS62	3	Volume	0.71	87.27	0.045*	yes	35.94	0.8052

3D dist.: maximum pairwise 3D distance between alpha carbons (Å). 3D p-value: test if the sites are closer than expected by chance. FDR: tell if the group remains significant after a correction for having a global false discovery rate of 5%. ‡ symbols indicate groups detected by both the correlation and compensation analyses, † symbols indicate groups overlapping with a detected group in the compensation analysis (i.e. one group is a sub-group of the other).

ISSN: 2730-7182