Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLTLKKAHAAKIKKGYPLIEKEALAGSAGHMKEGDLVDIVSESGGEFLARGYYGLQNKGVGWTLTRNKHEQIDQAFFLSKLTKAAQARAKLFEAQDTTAFRLFNGEGDGVGGVTIDYYDGYLLIQWYSKGIYTFKDMLISALDEMDLDYKAIYEKKRFDTAGQYVEDDDFVKGRRGEFPIIIQENGIQYAVDLNEGAMTGIFLDQRHVRKAIRDRYAKGKTVLNTFSYTGAFSVAAALGGAEKTTSVDVANRSLAKTIEQFSVNKLDYEAHDIKVMDVFNYFSYAAKKDLRFDLIILDPPSFARTKKRTFSAAKDYKNLLKETIAITADKGVIVASTNSSAFGMKKFKGFIDAAFKETNERYTIIEEFTLPEDFKTISAFPEGNYLKVVLLQKK 3VSE Chain:A ((1-388)) MKIATLNKGKETKYFNGYPLIEEEDIYSQD-HLKEGDIFQIVT-DKSQYVATAYVGRQHKGLGWVLTYDKAQEINTAFFVKLFNTALAERDYYFNIDGTNAFRLFNAEGDGVGGLTIDNYDGHLLIQWYSKGIYKFKYAILEAVRKVFD-YKSIYEKVRFKD--SEY-SGGFVEGDAPEFPIVIEENFTFYNVDLEDGLMTGIFLDQKEVRKKLRGQYAKERHVLNLFSYTGAFSVIAASE-ASSTTSVDLANRSRSLTEENFGLNAIDPKSQYIYVMDTFDFYKYAARHGHSYDTIVIDPPSFARNKKRTFSVQKDYDKLINGALNILSSEGTLLLCTNASVYPLKQFKNTIKKTLEESGVDYELTEVMGLPKDFKTHPHYKPSKYLKAVFVNI-

General information: TITO was launched using: RESULT: Template: 3VSE.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 : 2188 -205002 -93.69 -528.36 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -93.69 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3VSE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VSE-query.scw PDB file : Tito_Scwrl_3VSE.pdb: