Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGMSAISTETLSLGYGDAVIIDELNLTIPKGEITVFIGSNGCGKSTLLRSLARLMKPRGGSVLLEGRAIAK-LPTKEVAKELAILPQGPSAPEGLTVHQLVKQGRYPYQNWLKQWSKEDEEAVERALKATKLEDMADRAVDSLSGGQRQRAWIAMTLAQETDIILLDEPTTYLDMTHQIEILDLLFELNEKEDRTIVMVLHDLNLACRYAHHLVAIKDKRIYAEGRPEEVITCDLVQNVFSMNCQVTQDPLFGTPLCIPHGRGRCIVQEAAFTSHG 4U02 Chain:B ((5-227)) -----IRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPRE--KAEKKALE-LLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQG-GMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFT--------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U02.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1193 -70979 -59.50 -319.73 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -59.50 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.410

(partial model without unconserved sides chains): PDB file : Tito_4U02.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U02-query.scw PDB file : Tito_Scwrl_4U02.pdb: