Table 2

Non-validated functional annotations of non-annotated surface patches. Functional annotated sites have been compared to a collection of surface patches extracted from a non-redundant PDB subset. The reliability of each match was estimated via a series of criteria, as described in the text. The remaining similarities may be new functional annotations of uncharacterized functional sites, or false positive matches, and are shown in this table. Columns:(i) PDB code, chain name and patch number in the annotated query patch; (ii) Description of the protein to which the query patch belongs; (iii) Query patch functional annotation; (iv) Target patch; (v) Description of the protein to which the target patch belongs; (vi) Z-score of the match; (vii) SSM Q score; (viii) SSM P score; (ix) SSM Z score. The SSM Q score takes into account the number of aligned residues, their r.m.s.d. and the size of the proteins; a high Q score means a good similarity. The SSM P score is the log of the pValue (the probability that the match occurred by chance); P scores higher than 3 are considered significant by the authors of the method.

Patch 1
Protein
Patch 1 Annotation
Patch 2
Protein
Z-score
SSM Qscore
SSM P-value
SSM Z-score

3mdeA1
Acyl-CoA dehydrogenase
LIG_CO8
1g5bB6
Bacteriophage lambda S/T Protein Phosphatase
9.59
0.01
0
0.5
1qhaA2
Hexokinase I
HEXOKINASES
1i78A5
Outer Membrane Protease Ompt
9.44
0.01
0
0.5
1qhaA2
Hexokinase I
HEXOKINASES
1zdhA2
Bacteriophage Ms2 Protein Capsid
9.44
0.01
0
0.1
1bp1_1
Bactericidal permeability-increasing protein
LIG__PC
1qlwA2
Bacterial esterase 713
9.07
0.01
0
1.5
1nah_1
UDP-galactose 4-epimerase
LIG_NAD
1im8A1
YecO methyltransferase
9.06
0.1
0
4
4blcA1
Beef liver catalase
LIG_NDP
1io1A5
Phase 1 Flagellin
8.86
0.01
0
1.4
1dbtA1
Orotidine 5'-Monophosphate Decarboxylase
OMPDECASE
1dj8A1
E. Coli Periplasmic Protein Hdea
8.76
0.03
0
1.9
1fp2A1
Isoflavone O-Methyltransferase
LIG_SAH
1nah_1
UDP-galactose 4-epimerase
8.6
0.05
0
5.5
1fps_1
Prenyltransferase Trimethylamine
POLYPRENYL_SY NTHET_1
1h6gA2
Alpha-catenin Molybdopterin Biosynthesis Moeb
8.54
0.04
0
0.3
1djnA1
dehydrogenase
LIG_ADP
1jwbB1
Protein
8.51
0.05
0
5.3
19hcA1
Cytochrome C
LIG_HEM
1umuB1
UmuD' protein
8.44
0.03
0
4.2
1qhaA1
Type I Hexokinase
HEXOKINASES
1e2uA1
Hybrid Cluster Protein
8.34
0.01
0
0.1
256bA1
Cytochrome B562
LIG_HEM
1gpjA1
Glutamyl-tRNA reductase
8.25
0.05
0
0.4
1ep1B1
Dihydroorotate Dehydrogenase B
LIG_FAD
1pmi_8
Phosphomannose Isomerase
8.18
0.02
0
0.3
1tsdA1
Thymidylate synthase
LIG_U18
1prhA1
Prostaglandin H2 Synthase-1 Formylmethanofuran: Tetrahydromethanopterin
8.16
0.01
0
0.1
2nlrA1
Endoglucanase
LIG_G2F
1ftrA1
Formyltransferase
8.05
0.02
0
0.5
1ej0A1
RNA Methyltransferase
LIG_SAM
2cmd_1
Malate Dehydrogenase
8.01
0.12
0
3.9
1ecmB1
Chorismate mutase
LIG_TSA
1b3qB1
Histidine Kinase Chea
7.96
0.02
0
2.8
1av6A3
Vaccinia Methyltransferase Vp39
LIG_SAH
1b3mA1
Sarcosine oxidase
7.95
0.02
0
2.8
1av6A3
Vaccinia Methyltransferase Vp39
LIG_SAH
1b4vA1
Cholesterole oxidase
7.95
0.02
0
0.9
1qrrA1
Sulfolipid Biosynthesis (Sqd1) Protein
LIG_NAD
1g6q12
Arginine methyltransferase HMT1
7.85
0.04
0
1.9
1qrrA1
Sulfolipid Biosynthesis (Sqd1) Protein
LIG_NAD
1im8A1
YecO methyltransferase
7.85
0.09
0
2.4
1qrrA1
Sulfolipid Biosynthesis (Sqd1) Protein
LIG_NAD
1khhA1
Guanidinoacetate methyltransferase
7.85
0.1
0
2.9
6reqA1
Methylmalonyl-Coa Mutase
LIG_3CP
1fepA2
Ferric Enterobactin Receptor
7.79
0.01
0
0
6reqA1
Methylmalonyl-Coa Mutase
LIG_3CP
1jihB10
Yeast DNA Polymerase Eta
7.79
0.01
0
1
1bgyC1
Cytochrome BC1
LIG_HEM
1dc1B2
Bsobi Restriction Endonuclease
7.62
0.01
0
0.4
1bgyC2
Cytochrome BC1
LIG_HEM
1k92A4
Argininosuccinate Synthetase
7.62
0.01
0
0.2
1bgyC2
Cytochrome BC1
LIG_HEM
5r1rA2
Ribonucleotide Reductase R1
7.62
0.01
0
0.9
1qanA1
Rrna Methyltransferase Ermc'
RRNA_A_DIMETH
1b37B1
Flavin-dependent polyamine oxidase
7.54
0.04
0
5.3
1qanA1
Rrna Methyltransferase Ermc'
RRNA_A_DIMETH
1b3mA1
Sarcosine oxidase
7.54
0.04
0
4.3
1qanA1
Rrna Methyltransferase Ermc'
RRNA_A_DIMETH
1gpeA1
Glucose oxidase
7.54
0.03
0
3.2
1qanA1
Rrna Methyltransferase Ermc'
RRNA_A_DIMETH
1i8tA1
UDP-galactopyranose mutase
7.54
0.04
0
4.1
2cut_1
Serine esterase
LIG_DEP
1jfrA1
Exfoliatus Lipase
7.43
0.17
0
5.3
1bp1_2
Bactericidal Permeability-increasing protein
LIG__PC
1fuoA10
Fumarase C
7.42
0.01
0
0.1
1hcy_4
Hexameric haemocyanin
LIG_NAG
2kinA2
Kinesin
7.42
0.01
0
2.2
1cpq_1
Cytochrome C
LIG_HEM
1wpoB1
Human Cytomegalovirus Protease
7.41
0.01
0
1.3
1inp_1
Inositol polyphosphate 1-phosphatase
IMP_2
1bgxT6
TAQ polymerase
7.38
0
0
0
1ksaA1
Bacteriochlorophyll A Protein
LIG_BCL
1xvaA1
Glycine N-Methyltransferase
7.27
0.02
0
1.3
1b63A1
MutL DNA mismatch repair protein
LIG_ANP
1wpoB1
Human Cytomegalovirus Protease
7.22
0.03
0
0.6
1e7uA1
Phosphoinositide 3-Kinase Inhibition
PI3_4_KINASE_1
1qi9B1
Vanadium Bromoperoxidase Soluble Quinoprotein Glucose
7.15
0.01
0
0.6
1a12A1
Regulator Of Chromosome Condensation (Rcc1)
RCC1_2
1cruB1
Dehydrogenase
7.06
0.08
0
0.4

Ferrè et al. BMC Bioinformatics 2005 6:194   doi:10.1186/1471-2105-6-194