Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAIIKFKWAIAAIVLALTVVLSLFSPNLTELANQKGQAQLPADAVSERANAILKQAGEDNNSISVVFTLDNAIKKETENQLRIIIDKIKKIDGVEEVTSPLSAEKEVKDQLMSKDKKTVLMPVTITGSDKKAEKIADEIYQIVPDDLTAYITGASLINQDFAHSSEEGLKKTEVITVCLIIGLLLIVFRSVVTPFIPIVVVGFSYLISQSILGILVYNVDFPISTFTQTFLVAILFGIGTDYCILLLTRFREELANGHDKKEAALIAYRTGGKTLFISGFAVLIGFSALGF---AKFAIFQSAVG-VAVGVGILMIILYTLLPLFMVTLGEKLFWPSKKVLSHSDNKLWAFLGRHSVARPFLFIVITVVITLP-FILTYDDQISFDSTAEISSDYKSIKALEAIKDGFGEGKAFPINVVVKGDKDLTTADTIPYLGNISKAIEKVDHVDSVMTITQPTGKKIKDLYIDNQLGSVSDGLDKTV-----KGIADVQSGLTDIENGLNQMAGQTGSA------SN----GGSGG-SLGDAADGLGKINQQLQLVSKQISQTGNTAQTVQQLTAISGQLGQIQTGLEQANQQLSGQ-QAQ-------AGTLTESLKKLSEGVKSANEGLTKVS--DGITASS----------DILEDMSKSPTVRDTGIFIPDQVMKDKDFKKSIDQYSFADGKGVQLSVVLDSNPYSEQAITTINQIKKAVANEVDGTPLENAQIVYGGVTSMNADLKELSTTDFSRTMVIMIIGLFIVLTILFRSMIMPIYMIASLLLTYYTSISITELIFVNGLGNAGVSWAVPFFSFVILIALGVDYSIFLLDRFKEEVHLGIEQ-GVVRSMSKMGSVIITAAIILAGTFAAMMPS---GVNTLMQVASVIIIGLLLYGLVILPLFIPAIIATFGEGNWWPFGRKKGKE 4K0J Chain:A ((313-1018)) -------------------------------------------------------------------------------------------------------------------------------------------------KDVKVVPYIDR---SNLVDATVHTVGKTLMEGMFLVSLVLLLFLGSPRAAIIVAVTIPLSLLMAFILMHHFKIP----ANLLS-L--GAIDFGIIVDGAIVVMENILRRR--------DIMQSVLQVARPIFFGMIVIITAYLPLFAFQRIEYKLFSPMAFAVGFALFGALLVALLLIPGLA--------------ALVWLAPRYESVLNR---STRTAIGIAVATLVGVMILGATI-----GRDFLPYLDE-----------------GSIWLQVTLPPGISLEKAGQMADNLRAATMEFPEVEHVVTQVGRNDEGTD--PFSPSHIETAVTLHPYSTWTSGRDKQQLIEAMATRFRDLPGTQVGFSQPMIDGVLDKLAGAHSDLVVKVY--GNDFAETRQVATAITRLLKTVPG--------------AQDVIIDQ------EPPLPQVRIDVDRAAAARLGINVADVMALIQTGIGGSPVTQVFVEDRSYNVVARFIGSSRNDPEAIGNLTLTAANGAHVALAQVAHIRLAEGETTITREMNKRH-LTVRLNLR--GRDLSTFLEEARMRIDKEVP-YDRTHIQVAWGGQFEN----QQRAQARLAVILPMVLALMFVLLF-------QPALILMAVPLATLGGLVALHL-----RGMT-LNV-SSAVGFIALFGVAVLNAIIMIANL---------KEAVVRGAGERMRPVLMTATVAALGLIPAALAHGLGSDVQRPLATVVVGGLITATAL-TLVLLPALYYLIETR------------

General information: TITO was launched using: RESULT: Template: 4K0J.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 : 2856 -420274 -147.15 -683.37 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -147.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.278

(partial model without unconserved sides chains): PDB file : Tito_4K0J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K0J-query.scw PDB file : Tito_Scwrl_4K0J.pdb: