Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKQQPISQRKLLGVAGLGWLFDAMDVGILSFIIAALHVEWNLSPEEMKWIGSVNSIGMAAGAFLFGLLADRIGRKKVFIITLLCFSIGSGISAFVT----SLSAFLILRFVIGMGLGGELPVASTLVSEAVVPEKRGRVIVLLESFWAVGWLAAALISYFVIP-SFGWQAALLLTALTAFYA-LYLRTSLPDSPKYES---LSAKKR-SMWENVKSVWARQ-YI-RPTVMLSIVWFCVVFSYYGMFLWLPSVMLLK-GFSMIQSFEYVLLMTLAQLPGYFSAAWLIEKAGRKWILVVYLI---GTAGSAYFFGTA--DSLSLLLTAGVLLSFFNLGAWGVLYAYTPEQYPTAIRATGSGTTAAFGRIGG-IFGPLLVGTLAARHISFSVIFSIFCIAILLAVACILIMGKETKQTELE 1PW4 Chain:A ((22-428)) ---TYRRLRWQIFLGIFFGYAAYYLVRKNFALAMPYLV-EQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWATSSIAVMFVLLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKND----TAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHFALDKSSWAYFLYEYAGIPGTLLCGWMSDKVFRGNRGATGVFFMTLVTIATIVYWMNPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELAPKKAAGTAAGFTGLFGYLGGSVAASAIVGYTVDF-FGWDGGFMVMIGGSILAV----------------

General information: TITO was launched using: RESULT: Template: 1PW4.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 : 1830 -311087 -169.99 -829.57 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -169.99 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.225

(partial model without unconserved sides chains): PDB file : Tito_1PW4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PW4-query.scw PDB file : Tito_Scwrl_1PW4.pdb: