Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAIIKFKWAIAAIVLALTVVLSLFSPNLTELANQKGQAQLPADAVSERANAILKQAGEDNNSISVVFTLDNAIKKETENQLRIIIDKIKKIDGVEEVTSPLSAEKEVKDQLMSKDKKTVLMPVTITGSDKKAEKIADEIYQIVPDDLTAYITGASLINQDFAHSSEEGLKKTEVITVCLIIGLLLIVFRSVVTPFIPIVVVGFSYLISQSILGILVYNVDFPISTFTQTFLVAILFGIGTDYCILLLTRFREELAN-GHDKKEAALIAYRTGGKTLFISGFAVLIGFSALGF---AKFAIFQSAVG-VAVGVGILMIILYTLLPLFMVTLGEKLFWPSKKVLS----HS-------DNKLWAFLGRHSVARPFLFIVITVVITLP-FILTYDDQISFDSTA---------EISSDYKSIKALEAIKDG---------------FG-------E-G-KAFPINVVVKGDKDLTT--ADTIPYLGNISKAIEKVDHVDSVMTITQPTGKKIKDLYIDNQLGSVSDGLDKTVKGIADVQSGLTDIENGLNQMAGQTGSASNGGSGGSLGDAADGLGKINQQLQLVSKQISQTGNTAQTVQQLTAISGQLGQIQTGLEQANQQLSGQQA-----QAGTLTESLKKLSEGVKSANEGLTKVS--DGITAS----------SDILEDMSKSPTVRDTGIFIPDQVMKDKDFKKSIDQYSFADGKGVQLSVVLDSNPYSEQAITTINQIKKAVANEVDGTPLENAQIVYGGVTSMNADLKELSTTDFSRTMVIMIIGLFIVLTILFRSMIMPIYMIASLLLTYYTSISITELIFVNGLGNAGVSWAVPFFSFVILIALGVDYSIFLLDRFKEEVHL-G-IEQ-GVVRSMSKMGSVIITAAIILAGTFAAMMPSGV---NTLMQVASVIIIGLLLYGLVILPLFIPAIIATFGEGNWWPFGRKKGKE 4DX5 Chain:A ((318-1038)) ------------------------------------------------------------------------------------------------------------------------------------------------PSGLKIVYPYDTT---PFVKISIHEVVKTLVEAIILVFLVMYLFLQNFRATLIPTIAVPVVLLGTFAVLAAFGFS----INTLT-MFGMVLAIGLLVDDAIVVVENVERVMAEEGLPPKEATRKSMGQIQGALVGIAMVLSAVFVPMAFFGGSTGAIYRQFSITIVSAMALSVLVALILTPALCATMLKPIAKGDHGEGKKGFFGWFNRMFEKSTHHYTDSVGGILRSTGRYLVLYLIIVVGMAYLFVRLPSSFLPDEDQGVFMTMVQLPAGATQERTQKVLNEVTHYYLTKEKNNVESVFAVNGFGFAGRGQNTGIAFVSLKDWADRPGEENKVEAITMRATRAFSQIKDAMVFA-FNLPAIVELG-----T-ATGFDFELID-------------------------------------Q--AGLGHEKLTQARNQLLAEAAKHPD-------------MLTSVRPNGLED---TPQFKIDIDQEKAQALGVSINDINTTLGAAWGGSYVNDFIDRGRVKKVYVMSEAKYRMLPDDIGDWYVRAADGQMVPFSAFSSSRWEYGSPRLERYNGLPS-MEILGQAAPG-KSTGEAMELME-QLAS----KLPTGVGYDWTGMSYQ----ERLSGNQAPSLYAISLIVVFLCLAALYESWSIPFSVMLVVPLGVIGALLAATF-----RGLT-NDV-YFQVGLLTTIGLSAKNAILIVEFAKDLMDKEGKGLIEATLDAVRMRLRPILMTSLAFILGVMPLVISTGAGSGAQNAVGTGVMGGMVTATVL-AIFFVPVFFVVVRRRFSRKNE------

General information: TITO was launched using: RESULT: Template: 4DX5.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 : 2886 -425998 -147.61 -659.44 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -147.61 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_4DX5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DX5-query.scw PDB file : Tito_Scwrl_4DX5.pdb: