Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTAKTPEFSNAQVIELLLQQYKLSGQLKKLPGYCDQNLLLNTDDGKQYIVKIANAVEPKLELEMQNAAMAHLTHKQCAVPCAVNNIQGDNISIITDVSKQSFCLRVLTFIPGKFYADANSNTHSRALWTDLGQFIGNIDLALADFQHPGAFRYLDWDLAQGYRVCMSKKHLLNPQQVNLVDKFLSLYQTQTMPVLSQLPQGVIHNDANDYNLLIDDINTPNKISGLIDFGDMVHSHIVNELAIACAYALMGEKSVHEDILSALTSIVAGYHKIRPLLDVELEVLYSLIALRLCTTVCNAALAIQQQPDNEYLLVSVQPAWQLLEQLSAVNSYAVLCQLRLACQLPVDSGQSAAEIINYRKKHLGKTLSLSYQQPLKMVRGQGAYLFNEQGVPYLDMVNN--VCHVGHCHPKVVAAGQAQLAKL-NTNTRYLHDNIVNYADKLL-ATMPDKLSVCMLVNSGSEANELAFRLARCFTKSR------ELLVVDGAYHGNT--NACIEASPYKFDGPGGEGAPAYVHKVTLPDPYRGEFLGNNSDAATAYANSVKETIEQLALNNKKPGAFICESLQGVAG-QIIMPDGYLTQVYAHVRAAGGVCIADEVQVGFGRVGSHMWAFETQNVIPDIVTLGKPIGNGHPMAAVITTQEIADAFVTGMEYFNTFGGNPVSCAIGIAVLDVIEQEQLQNHALTTGQYFQDQLNKLKQRFELIGDVRGKGLFIGVELVEDRTTKQPATDKTSWLIEHFKQHHILLSTEGPFYNILKIKPPLAFNSGDADKFINVLELGLAVLSH 4JEY Chain:B ((44-361)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VKGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTSNVFTNEPALRLGRKLIDATFAERV---LFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGRSLFTVSVGGQPKYSDGFGPK--PADIIHVPFND-----------------LHAVK------AVMDDHTCAVVVEPIQGAGGVQAATPE-FLKGLRDLCDEHQALLVFDEVQCGMGRTGD-LFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAFHVG-SHGSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQAIDEQFDIFSDIRGMGLLIGAEL-------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4JEY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1630 910 0.56 2.98 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : 0.56 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.183

(partial model without unconserved sides chains): PDB file : Tito_4JEY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4jey-query.scw PDB file : Tito_Scwrl_4JEY.pdb: