Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEIKNLTGGYVHVPVLKDVSFTVESGQLVGLIGLNGAGKSTTINEIIGLLAPYSGSININGLTLQGDATSYRKQIGYIPETPSLYEELTLREHIETVAMAYGIEQKVAFERVEPLLKMFRLDQKLDWFPVHFSKGMKQKVMIICAFVVDPSLFIVDEPFLGLD-PLAISDLIQLLEVEKQKGKSILMSTHVLDSAEKMCDAFVILHKGEVRAKGNLLQLREAFDMPEASLNDIYLALTKEEDL 2AWO Chain:A ((4-221)) -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFI-GEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLEL------------------------

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 : 1085 -119857 -110.47 -552.33 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -110.47 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.402

(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: