| Data item | Description |
|---|
| Q:PocketIndex |
Internal ID for query site |
| Ｔ:PocketIndex |
Internal ID for target site |
| Q:PDB_ID |
PDB ID for query site |
| T:PDB_ID |
PDB ID for target site |
| Q:HET_Code |
HED code for query site |
| T:HET_Code |
HED code for target site |
| Q:ChainID |
ID for the chain where the query site is |
| T:ChainID |
ID for the chain where the target site is |
| Q:Res.No. |
Residence number for the amino acid where the query site is |
| T:Res.No. |
Residence number for the amino acid where the target site is |
| AlignedLength |
Length of amino acid alignment |
| RMSD |
Root Mean Square Deviation |
| AminoIdentity |
Amino acid match rate |
| Q:MolName |
Molecular name of the query site |
| T:MolName |
Molecular name of the target site |
| Q:EC |
EC ID for the query site |
| T:EC |
EC ID for the target site |
| Q:CATH |
CATH ID for the query site |
| T:CATH |
CATH ID for the target site |
| Q:SCOPe |
SCOPe ID for the query site |
| T:SCOPe |
SCOPe ID for the target site |
| Q:UniProt |
UniProt ID for the query site |
| T:UniProt |
UniProt ID for the target site |
| Q:UniRef50 |
UniRef50 cluster ID for the query site (when it is analysed) |
| T:UniRef50 |
UniRef50 cluster ID for the target site (when it is analysed) |
| EC_Df |
Different or not between query and target site in EC ID |
| CATH_Df |
Different or not between query and target site in CATH ID |
| SCOPe_Df |
Different or not between query and target site in SCOPe ID |
| ChEMBL_Assay |
Assay data in ChEMBL or none |
| AlignedResidues |
Amino acid alignment result |
Data name 
