Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLTLKKAHAAKIKKGYPLIEKEALAGSAGHMKEGDLVDIVSESGGEFLARGYYGLQNKGVGWTLTRNKHEQIDQAFFLSKLTKAAQARAKLFEAQDTTAFRLFNGEGDGVGGVTIDYYDGYLLIQWYSKGIYTFKDMLISALDEMDLDYKAIYEKKRFDTAGQYVEDDDFVKGRRGEFPIIIQENGIQYAVDLNEGAMTGIFLDQRHVRKAIRDRYAKGKTVLNTFSYTGAFSVAAALGGAEKTTSVDVANRSLAKTIEQFSVNKLDYEAHDIKVMDVFNYFSYAAKKDLRFDLIILDPPSFARTKKRTFSAAKDYKNLLKETIAITADKGVIVASTNSSAFGMKKFKGFIDAAFKETNERYTIIEEFTLPEDFKTISAFPEGNYLKVVLLQKK 3VSE Chain:A ((1-387)) MKIATLNKGKETKYFNGYPLIEEEDIY-SQDHLKEGDIFQIVTDKS-QYVATAYVGRQHKGLGWVLTYDKAQEINTAFFVKLFNTALAERDYYFNIDGTNAFRLFNAEGDGVGGLTIDNYDGHLLIQWYSKGIYKFKYAILEAVRKV-FDYKSIYEKVRFKDS-EY--SGGFVEGDAPEFPIVIEENFTFYNVDLEDGLMTGIFLDQKEVRKKLRGQYAKERHVLNLFSYTGAFSVIAA-SEASSTTSVDLANRSRSLTEENFGLNAIDPKSQYIYVMDTFDFYKYAARHGHSYDTIVIDPPSFARNKKRTFSVQKDYDKLINGALNILSSEGTLLLCTNASVYPLKQFKNTIKKTLEESGVDYELTEVMGLPKDFKTHPHYKPSKYLKAVFVN--

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 : 2171 -205995 -94.88 -532.29 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -94.88 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.540

(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: