Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPVVHAFRASQSGLDAGAMKRSSDSHSPPFFFLSSACLAYRTSPMPSPRFARPELNGIITVRRFQRPQLETEAPIRKGDLKEPLEAVAGRVGLRARCSTSAPSADLCLVDDHELVLMGKLVDKGVYYITGGVCIDAEGSDTSSQSPTAALVSSTACGAAPQPPDITVGWCFDARMLLHRSDM---------------NRSPETPHRLQRAIETLQGCERALDVLPVELLAPFTVHKDSSSGSDLGRAVPPISAANRSQWIPARLATYDEVCSFQDPQVYEHFLKSGAAL---VNLKSDVYCNDETSSVAVRLSAGAVIDASVAALRGVAASRSGTASSAAGRVHPLVSFCLVRPPGHHCTASQPSGFCLVNNVAIAVQQLRIRHASALPSGPPRIAILDLDVHFGEGTASFVEGACDPASLLYLSLHRYDKRQFYPFDGRGDTAYVGGSRHAASKGSICNVAVHTNGQQPARCEQVISDHLMNSVLEEIFLPRLAEFGPDLVMVSLGFDAAYGDPLGKMAVE-GGFASVLSRLKWWCLHDGRTAGLVVVLEGGYNPEAVAQGVLSVALALSLPRTDPLL-QRFLEEKSPKVWSDLRQRQERRHREWQQLREERAEEDVGAAPSGLGSELKPAASDEPEQVQEDALLLDRHKRWCAALVAKVQQIHREAMTRER 5G1B Chain:A ((3-369)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------HAIGYVWNTLYGWVDTGTGSLAAANLTARMQPISHHLAHPDTKRRFHELVCASGQ----------------------------------IEHLTPIAAVAATDADILRAHSAAHLENMKRVSNLPTGGDTGDGITMMGNG-GLEIARLSAGGAVELTRRVATG----------------ELSAGYALVNPPGHHAPHNAAMGFCIFNNTSVAAGYARAVL------GMERVAILDWDVHHGNGTQDIWWNDPS---VLTISLHQHL--C-FPP-DSGYSTERGAG---NGHGYNINVPLPPG----------SGNAAYLHAMDQVVLPALRAYRPQLIIVGSGFDASMLDPLARMMVTADGFRQMARRTIDCAAD-ICDGRIVFVQEGGYSPHYLPFCGLAVIEELTGVRSLPDPYHEFLA--GMGGNTLLDAERAAIEEIVPLLAD--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5G1B.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 : 2311 -102866 -44.51 -296.44 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -44.51 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_5G1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5G1B-query.scw PDB file : Tito_Scwrl_5G1B.pdb: