Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSLSVQELSKNFGHKQALSDVSFSLSPGKIVGLVGPNGAGKTTIMKAILGLIHYSDGTICIGENEI--SPSSHKGLEQVGALIEYPGIYPFLTGYDH----LKLFSETNDVSAIDTIVNQ----LKMEKYIHKKAKSYSLGMKQKLGIALALLNHPSIVILDEPMNGLDPQATRDVRKIITDLATQ-GTSFLISSHLLSELEKMVDELILINQGKIIKQCTMAELNQTAQDFIVISTTNDLAARTILTEAGYTLEDPDKIKLLKENEELLGTVIQLLSAQNIHVTDVQHLTNDLESSLLEILDSVKGEEEK 2AWO Chain:A ((2-230)) -ASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERG---VGMVFQSYALYPHLSVAENMSFGLKLAGAKKEV--INQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFV-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2AWO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1107 -36624 -33.08 -168.00 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -33.08 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_2AWO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AWO-query.scw PDB file : Tito_Scwrl_2AWO.pdb: