Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAIIKFKWAIAAIVLALTVVLSLFSPNLTELANQKGQAQLPADAVSERANAILKQAGEDNNSISVVFTLDNAIKKETENQLRIIIDKIKKIDGVEEVTSPLSAEKEVKDQLMSKDKKTVLMPVTITGSDKKAEKIADEIYQIVPDDLTAYITGASLINQDFAHSSEEGLKKTEVITVCLIIGLLLIVFRSVVTPFIPIVVVGFSYLISQSILGILVYNVDFPISTFTQTFLVAILFGIGTDYCILLLTRFREELA-NGHDKKEAALIAYRTGGKTLFISGFAVLIGFSALGFA---KFAIFQSAVG-VAVGVGILMIILYTLLPLFMVTLGEKLFWPSKKV-L----S---HSDNKLWAFLGRHSVARPFLFIVITVVITLP-FILTYDDQISFDSTAEISSDYKSIKALEAIKDGFGEGKAFPINVVVKGDKDLTTADTIPYLGNISKAIEKVDHVDSVMTITQPTGKKIKDLYIDNQLGSVSDGLDKTV------KGIADVQSGLTDIE-NGLNQMAG-QTG---SASN-GGSGG-SLGDA-ADGLGKINQQLQLVSKQISQTGNTAQTVQQLTAISGQLGQIQTGLEQANQQLSGQ-QAQ-------AGTLTESLKKLSEGVKSANEGLTKVS--DGITASS----------DILEDMSKSPTVRDTGIFIPDQVMKDKDFKKSIDQYSFADGKGVQLSVVLDSNPYSEQAITTINQIKKAVANEVDGTPLENAQIVYGGVTSMNADLKELSTTDFSRTMVIMIIGLFIVLTILFRSMIMPIYMIASLLLTYYTSISITELIF--VNGLG----NAGVSWAVPFFSFVILIALGVDYSIFLLDRFKEEVHLG-IEQ-GVVRSMSKMGSVIITAAIILAGTFAAMMPS---GVNTLMQVASVIIIGLLLYGLVILPLFIPAIIATFGEGNWWPFGRKKGKE 4MT1 Chain:A ((317-1040)) -------------------------------------------------------------------------------------------------------------------------------------------------QGMSWKTPY---DTSKFVEISIEKVIHTLIEAMVLVFVVMYLFLQNIRYTLIPTIVVPISLLGGFAFISYMGMS----INVLT-MFAMILVIGIVVDDAIVVVENVERIMAGEGLPPKEATKKAMGQISGAVIGITAVLISVFVPLAMFSGAAGNIYKQFALTMASSIAFSAFLALTLTPALCAT------------GFFGWFNKKFDSWTHGYEGRVAKVLRKTFRMMVVYIGLAVVGVFLFMRLPT-----SFLPTED-----------------QGFVMVSVQLPAGATKERTDATLAQVTQLAKSIPEIENIITVSGFSFSGS-----GQNMAMGFAIFKDWNERTASGSDAVAVAGKLTGMMMGTLKDGFGIAVVPPPILELG-SGLSINLQDRNNTGHTALLAKRNELIQKMRASGL------------FDPSTVRAGG------LEDSPQLKIDINRAAAAAQGISFADIRTALASALSSSYVSDFPNQGRLQRVMVQADEDARMQPADILNLTVPNKSGVAVPLSTIATVSWENGTEQSVRFNGYPS-MKLSASPATG-VSTGQAMEAVQKMVDE-----LGGGYSFEWGGQSSEEAK----GGSQTLILYGLAVAAVFLVLAALYESWSIPLAVILVIPLGLIGAAAGVTGRNLFEGLLGSVPSFA-NDI-YFQVGFVTVMGLSAKNAILIIEFAKDLQAQGKSAVEAALEAARLRFRPIIMTSFAFILGVVPLYIAAGASSASQRAIGTTVFWGMLVGTLL-SVFLVPLFYVVVRKFF-----------

General information: TITO was launched using: RESULT: Template: 4MT1.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 : 3132 -451951 -144.30 -696.38 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -144.30 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_4MT1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MT1-query.scw PDB file : Tito_Scwrl_4MT1.pdb: