Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIELKNISKKFGSRQLFSDTNLHFEGGKIYALIGTSGCGKTTLLNMIGRLEPYDKGQIIYDGTSLKDIKPSVFFRDYLGYLFQDFGLIESQTVKENLNLGLVGKKLKEKEKISLMKQALNRV----NLSYLDLKQPIFELSGGEAQRVALAKIILKDPPLILADEPTASLDPKNSEEL-LSILESLKNPNRTIIIATHNPLIWEQVDQVIRVTDLSHR 3PUZ Chain:B ((4-193)) -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPA---ERGVGMVFQSYALYPHLSVAENMSFGL---KLAGAKK-EVINQRVNQVAEVLQLAHLLDRKP-KALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHD-------------------

General information: TITO was launched using: RESULT: Template: 3PUZ.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 : 786 -27267 -34.69 -147.39 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -34.69 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_3PUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUZ-query.scw PDB file : Tito_Scwrl_3PUZ.pdb: