Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQDIIAYFIQNLTALYIAVALVSLCIGSFLNVVIYRTPKMMEQDWQQECQMLLNPEQPIIDHEKLTLSKPASSCPACQQPIRWYQNIPVISWLTLRGKCGHCQHPISIRYPAVELLTMLCSLVVVMVFGPTIQMLFGLVLTWVLIALTFIDFDTQLLPDRFTLTLAALGLGINTFNIYTSPNSAIWGYLIGFLCLWIVYYLFKVITGKEGMGYGDFKLLAALGAWMGPLMLPLIVLLSSLLGAIIGIILLKLRNDNQPFAFGPYIAIAGWVAFLWGDQIMKIYLGG 4AYB Chain:P ((5-34)) ------------------------------------------------------------------------RCGKCWKTFTDEQLK---V--LPGVRCPYCGYKII-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AYB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 90 -7846 -87.17 -261.52 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain P : 0.36 3D Compatibility (PKB) : -87.17 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.36 QMean score : 0.634

(partial model without unconserved sides chains): PDB file : Tito_4AYB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYB-query.scw PDB file : Tito_Scwrl_4AYB.pdb: