Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MLFKLSKEKIELGLSRLSPARRIFL-----SFALVILLGSLLLSLPFVQVESSRATYF---DHLFTAVSAVCVTGL--STLPVAHTYNIWGQI------ICLLLIQIGGLGLMTFIG--------------------------VFYIQSKQKLSLRSRATIQDSFS----YGE----TRSLRKFVYSIFLTTFLVESLGAILLSFRLIPQLGWGRGLFSSIFLAISAFCNAG-FDNLGSTSLFAFQTDLLVNLVIAGLIITGGLGFMVWFDLAGHVGRKKKGRLHFHTKLVLLLTIGLLLFGTATTLFLEWNNAGTIGNLPVADKVLVSFFQTVTMRTAGFSTIDYTQAHPVTLLIYILQMFLGGAPGGTAGGLKITTFFVLLVFARSELLGLPHANVARRTIAPRTVQKSFSVFIIFLMSFLIGLILLGITAKGNPPFIHLVFETISAL---STVGVTANLTPDLGKLALSVIMPLMFMGRIGPLTLFVSLADYHPEKKDMIHYMKADISIG- 5K47 Chain:A ((30-519)) REKYLKSVLRELVTYLLFLIVLCILTYGMMSSNVYYYTRMMSQLFLDTPVSKTEKTNFKTLSSMEDFWKFTEGSLLDGLYWKMQPDNRSFIFYENLLLGVPRIRQLRVRNGSCSIPQDLRDEIKECYDVYSVSSEDRAPFGPRNGTAWIYTSEKDLNGSSHWGIIATYSGAGYYLDLSRTREETAAQVASLKKNVWLDRGTRATFIDFSVYNA---NINLFCVVRLLVEFPATGGVIPSWQFQPLKLIRYVTTFDFFLAACEII--FCFFIFYYVVEEILEIRIHKLHYFRSFWNCLDVVIVVLSVVAIGINIYRTS----NVEVLLQFLEDQNTFPNFEHLAYWQIQFNNIAAVTVFFVWIKLFKFINFN----------------------RTMSQLSTTMSRCAKDLFGFAIMFFIIFLAYAQLAYLVFGTQVDDFSTFQECIFTQFRIILGDINFAEIEEANRVLGPIYFTTFVFFMFF--ILLNMFLAIINDTYSEVKSDLAQQKAEMELSD

General information: TITO was launched using: RESULT: Template: 5K47.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 : 1528 -156568 -102.47 -367.53 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -102.47 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.117

(partial model without unconserved sides chains): PDB file : Tito_5K47.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K47-query.scw PDB file : Tito_Scwrl_5K47.pdb: