Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MKE--------LSRLVHRSFHIIPRQEDFRPLALGASGRTIVRIHFGGRTCIGIQWGNDRADN--DSFIPAARHLHAH-GVNVPEIYDYEPLGPGCGA--ALVEDLG-----DANLLAFRKEPWPSL-----RLRYIRAMEQLHLLHSCPFPEE--FPLQPAFDEALYRWEQSYFAEHFLGSHLGLETASFLNHPALKEQAQFLAALPECPVHRDSQSQNVHIHAGKTWLI-DFQGMRGGRPEYDLASLVYDGYARLEPEQ------------ADELLREWENISAHSIDH-RIFRACALQRIMQMLGAYANIGHNQGKTWYLAQIPAGLGHLRKLLPGSTLAEPLAAMLA 3ATS Chain:A ((1-357)) TLPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAR-EPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWACVFMRTGARRVHFGEI-EKPDDVESLFYHAGLMKHLLGEEH------

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 1410 -12932 -9.17 -42.54 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -9.17 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.250

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: