Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEIKNLTGGYVHVPVLKDVSFTVESGQLVGLIGLNGAGKSTTINEIIGLLAPYSGSININGLTLQGDATSYRKQIGYIPETPSLYEELTLREHIETVAMAYGIEQKVAFERVEPLLKMFRLDQKLDWFPVHFSKGMKQKVMIICAFVVDPSLFIVDEPFLGLD-PLAISDLIQLLEVEKQKGKSILMSTHVLDSAEKMCDAFVILHKGEVRAKGNLLQLREAFDMPEASLNDIYLALTKEEDL 1Q1E Chain:A ((4-221)) -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFI-GEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLEL------------------------

General information: TITO was launched using: RESULT: Template: 1Q1E.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 : 1036 -126965 -122.55 -585.09 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -122.55 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_1Q1E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Q1E-query.scw PDB file : Tito_Scwrl_1Q1E.pdb: