Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPYYTMPDQESLFVRRIGRGEPVLVLSG--LGMQSWQWLPFIYANRKEYEFIIPDWRGFGGSKNCAIPEQDAISSHWQDVAHLIEQLKLDKFILMGYSMGATTAMHGMKHAHLAQQLKAYLHIDQTPKISVDATWQYGLFGPLHAQFK-QLLNNIYQLLSIHKNAKYLYELSLPHRQKLVRLWVDFIELQSSNPFSPFVFKTALKQPFLQKYLLPIQRLDYLFWYVENYL-FHNEDYREALQQLQCPTTFFIGRNSTLYP-ETGQTLIAHSVEHAKTIYFERSGHTPLLTEPKKFGHEITTFLSELKHAS 3T52 Chain:A ((3-269)) ---FVAKDGTQIYFKDWGSGKPVLFSHGWILDADMWEY-QMEYLSSRGYRTIAFDRRGFGRSDQPWTGND--YDTFADDIAQLIEHLDLKEVTLVGFSMGGGDVARYIARHGSARVAGLVLLGAVTPLFGQKPDYPQGVPLDVFARFKTELLKDRAQFIS------------------------DF-----NAPFYG-INKGQVVSQGVQTQTLQIALLASLKATVDCVTAFAETDFRPDMAKIDVPTLVIHGDGDQIVPFETTGKVAAELIKGAELKVYKDAPHGFAVTHAQQLNEDLLAFL-------

General information: TITO was launched using: RESULT: Template: 3T52.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 : 1560 -3736 -2.39 -14.26 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -2.39 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_3T52.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3T52-query.scw PDB file : Tito_Scwrl_3T52.pdb: