Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYKKFVPFAVFLFLFFVSFEMMENPHALDYIGAMKKDTVTVTASKDPLYEELLQKAPEYEVKPQNARIDKVWKSIPGYNGLKVNIEQSYKKMKQHGKFREKDLVYSQVKPSVHLESLQPEPIYKGNPDKPMVAFLINVAWGNEYLEKMLPILQKHQVKATFFLEGNWVRNNVQLAKKIAKDGHEIGNHSYNHPDMSKLTTGRISEQLDKTNEQIEQTIGVKP-KWFAPPSGSFRKAVIDIAAEKQMGTVMWTVDTIDWQKPA---PSVLQTRVLSKIHNGAMILMHPT-DPTAESLEALITQIKDKGYALGTVTELMDETRLLK 1NY1 Chain:A ((38-258)) -------------------------------------------------------------------------------------------NHQPPDAGKQLNSLIEKYDA----------FYLGNTKEKTIYLTFDNGYENGYTPKVLDVLKKHRVTGTFFVTGHFVKDQPQLIKRMSDEGHIIGNHSFHHPDLTTKTADQIQDELDSVNEEVYKITGKQDNLYLRPPRGVFSEYVLKETKRLGYQTVFWSVAFVDWKINNQKGKKYAYDHMIKQAHPGAIYLLHTVSRDNAEALDDAITDLKKQGYTFKSIDDLMFEKEM--

General information: TITO was launched using: RESULT: Template: 1NY1.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 : 1105 -98143 -88.82 -454.36 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -88.82 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_1NY1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NY1-query.scw PDB file : Tito_Scwrl_1NY1.pdb: