Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSLSVQELSKNFGHKQALSDVSFSLSPGKIVGLVGPNGAGKTTIMKAILGLIHYSDGTICIGENEISPSSHKGLEQVGALIEYPGIYPFLTGYDHLKLFSETND------VSAIDTIVNQLKMEKYIHKKAKSYSLGMKQKLGIALALLNHPSIVILDEPMNGLDPQATRDVRKIITDLAT-QGTSFLISSHLLSELEKMVDELILINQGKIIKQCTMAELNQTAQDFIVISTTNDLAARTILTEAGYTLEDPDKIKLLKENEELLGTVIQLLSAQNIHVTDVQHLTNDLESSLLEILDSVKGEEEK 2AWN Chain:B ((2-223)) -ASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTP-PAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYH------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2AWN.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 : 1112 -40169 -36.12 -186.83 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -36.12 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_2AWN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AWN-query.scw PDB file : Tito_Scwrl_2AWN.pdb: