Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------MRAIIKFKWAIAAIVL-----ALTVVLSLFSPNLTELANQKGQAQLPADAVSERANAILKQAGEDNNSISVVFTLDNAIKKETENQLRIIIDKIKKIDGVEEVTSPLSAEKEVKD--QLMSKDKKTVLMPVTITGSDKKAEKIADEIYQIVPDDLTAYITGASLI----NQDFAHSSEEGLKKTEVITVCLIIGLLLIVFRSVVTPFIPIVVVGFSYLISQSILGILVYNVDFPISTFTQTFLVAILFGIGTDYCILLLTRFREELA-NGHDKKEAALIAYRTGGKTLFISGFAVLIGFSAL----GFAKFAIFQSAVGVAVGVGILMIILYTLLPLFMVTLGEKLFWPSKKVLSHSDNKLWAFLGRHSVARPFLFIVITVVITLPFILTYDDQISFDSTAEISSDYKSIKALEAIKDGFGEGKAFPINVVVKGDKDLTTADTIPYLGNISKAIEKVDH--VDSVMTITQPTGKKIKDLYIDNQLGSVSDGLDKTVKGIADVQSGLTDIENGLNQMAGQTGSASNGGSGGSLGDAADGLGKINQQLQLVSKQISQTGNTAQTVQQLTAISGQLGQIQTGLEQANQQLSGQQAQAGTLTESLKKLSEGVKSANEGLTKVSDGITAS--SDILEDMSKSPTVRDTGIFIPDQVMKDKDFKKSIDQYSFADGKGVQLSVVLDSNPYSEQAITTINQIKKAVANEVDGTPLENAQIVYGGVTSMNADLKELSTTDFSRTMVIMIIGLFIVLTILFRSMIMPIYMIASLLLTYYTSISITELIFVNGLGNAGVSW-AVPFFSFVILIALGVDYSIFLLDRFKEEVH---LGIEQGVVRSMSKMGSVIITAAIILAGTFAAMM--PSGVNTLMQVASVIIIGLLLYGLVILPLFIPAIIATFGEGNWWPFGRKKGKE 1IWG Chain:A ((7-1036)) DRPIFAWVIAIIIMLAGGLAILKLPVAQYPTIAPPAVTISASYPGADAKTVQDTVTQVIEQNMNGIDNLMYMSSNSDSTGTVQITLTFESGTDADIAQVQVQNKLQLAMPLLPQEVQQQGVSVEKSSSSFLMVVGVINTDGTMTQEDISDYVAANMKDAISRTSGVGDVQLFGSQYAMRIWMNPNELNKFQLTPVDVITAIKAQNAQVAAGQLGGTPPVKGQQLN--ASIIAQTRLTSTEEFGKILLKVNQDGSRVLLRDVAKIELGGENYDIIAEFNGQPASGLGIKLATGANALDTAAAIRAELAKMEPFFPSGLKIVYPYDTTPFVKISIHEVVKTLVEAIILVFLVMYLFLQNFRATLIPTIAVPVVLLGTFAVLAAFGFSIN-----TLTMFGMVLAIGLLVDDAIVVVENVERVMAEEGLPPKEATRKSMGQIQGALVGIAMVLSAVFVPMAFFGGSTGAIYRQFSITIVSAMALSVLVALILTPALCATM---LKFGWFNRMFEKSTHHYTDSVGGILRSTGRYLVLYLIIVVGMAYLFVRL----PSSFLPDEDQG-----------------VFMTMVQLPAGATQERTQKVLNEVTHYYLTKEKNNVESVFAVNG---------FGFAGRGQNTGIAFVSLKDWADRPGEENKVEAITMRATRAFSQIKDAMVFAFNLPAIVELGTATGFDFELIDQAGLGHEKLTQARNQLLAEAAKHPMLTSVRPNGLE--------DTPQFKIDIDQEKAQALGVSINDINTTLGAAWGGSYVNDFIDRGRVKKVYVMSEAKYRMLPDDIGDW-YVRAADGQMVPFSAFSSSRWEYGSPRLERYNGLPSMEILGQAAPGKSTGEAMELMEQLASKLPTGVGYDWSGNQAPSLYAISLIVVFLC---LAALYESWSIPFSVMLVVPLGVIGALLAATFRGLTNDVYFQVGLLTTIGLSAKNAILIVEFAKDLMDKEGKGLIEATLDAVRMRLRPILMTSLAFILGVMPLVISTGAGSGAQNAVGTGVMGGMVTATVLAIFFVPVF--------FVVVRRRFSRK

General information: TITO was launched using: RESULT: Template: 1IWG.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 : 4146 -502993 -121.32 -609.69 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -121.32 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.188

(partial model without unconserved sides chains): PDB file : Tito_1IWG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IWG-query.scw PDB file : Tito_Scwrl_1IWG.pdb: