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 4JEW Chain:B ((44-361)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VKGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTSNVFTNEPALRLGRKLIDATFAERV---LFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGRSLFTVSVGGQPKYSDGFGPK--PADIIHVPFND-----------------LHAVK------AVMDDHTCAVVVEPIQGEGGVQAATPE-FLKGLRDLCDEHQALLVFDEVQCGMGRTGD-LFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAFHVG-SHGSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQAIDEQFDIFSDIRGMGLLIGAEL-------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4JEW.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 : 1617 4741 2.93 15.54 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : 2.93 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_4JEW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4jew-query.scw PDB file : Tito_Scwrl_4JEW.pdb: