Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKSFSIVIAGGGSTFTPGIVLMLLDHLEEFPIRKLKLYDNDKERQDRIAGACDVFIRE---KAPDIEFA----ATTDPEEAFTDVDFVMAHIRVGKYAMRALDEQIPLKYGVVGQETCGPGGIAYGMRSIGGVLEILDYMEKYSPDAWMLNYSNPAAIVAEATRRLR--PNSKILNICDMP--VGIEDRMAQILGLSSRKEMKVRYYGLNHFGWWTSIQDQEGNDLMPKLKEHVSQYGYIPKTEAEAVEASWNDTFAKARDVQAADPDTLPNTYLQYYLFPDDMVKKSNPNHTRANEVMEGREAFIFSQCDMITREQSSENSEIKIDDHASYIVDLARAIAYNTGERMLLIVENNGAI--ANFDPTAMVEVPCIVGSNGPEPITVGTIPQFQKGLMEQQVSVEKLTVEAWAEKSFQKLWQALILSKTVPNARVARLILEDLVEANKDFWPELDQSPTRIS 4BGV Chain:A ((1-303)) ---ARSKISVIGAGAV-GATVAQTLAIR--Q--TGDIYIFDIVDGLAEGKA---LDILEGAPHWGYDLDIKGFCTADESKYAEMKGSDVIVVTAGLARKPGMSRDD--------------------LLLKNIGIMKSVGEAIKKYSPESKIVVVTNPADIMAYAIYKASGISPERIIGLGGSLDSTRFRTFLAQELNVS-FEDVNAFVIGG------------HGDDMVPFIRYSNVS-GI---------------PI----------EDLLPREK---I---DEIVKRT---RFGGGEIVNLYK----------------TGS--AFYAPGISIAVMVESIVNDRKRVIPCAAYITGEHSKTYLVNNLFIGVPIKIGKNGVEKIYDLKFNEDELEAWKK--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BGV.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 : 1603 -207531 -129.46 -715.62 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -129.46 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.506

(partial model without unconserved sides chains): PDB file : Tito_4BGV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BGV-query.scw PDB file : Tito_Scwrl_4BGV.pdb: