Azat Badretdinov, 12/4/97: CHANGES: 12/17/97: now CHARMM format is used NOTE! For PDB entries missing atoms were calculated based on the "ideal" values for their internal geometry. Example: LYS:169 in 1ak2.crd Only X-ray structures with resolution better than 2A were considered, They had to correspond to protein chains from single-chain PDB entries (therefore we do not report their chain ID's) with all heavy atoms refined (there are several examples of structures reported as solved at the resolution better than 2.0A, but only for their Ca atoms). They had to have less than 50% sequence homology to any other protein chain from the set of protein chains. The number of heteroatoms (of non-amino acid nature) allowed in the structure was limited to maxhet = 20. There are 89 models for 42 targets. Naming conventions: targets/pdb1yyy.ent - PDB targets targets/1yyy.crd - ... in CHARMM format /1xxxX-1yyy.pdb - corresponding models based on chain X of template 1xxx /1xxxX-1yyy.crd - ... in CHARMM format - directory, containing models which CA RMS between model and target is between x and y Ansgtrem All models were calculated by MODELLER4.