Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEIKNLTGGYVHVPVLKDVSFTVESGQLVGLIGLNGAGKSTTINEIIGLLAPYSGSININGLTLQGDATSYRKQIGYIPETPSLYEELTLREHIETVAMAYGIEQKVAFERVEPLLKMFRLDQKLDWFPVHFSKGMKQKVMIICAFVVDPSLFIVDEPFLGLD-PLAISDLIQLLEVEKQKGKSILMSTHVLDSAEKMCDAFVILHKGEVRAKGNLLQLREAFDMPEASLNDIYLALTKEEDL 1Q12 Chain:A ((4-221)) -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFI-GEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLEL------------------------

General information: TITO was launched using: RESULT: Template: 1Q12.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 : 1088 -126710 -116.46 -583.91 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -116.46 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_1Q12.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Q12-query.scw PDB file : Tito_Scwrl_1Q12.pdb: