Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLTLKKAHAAKIKKGYPLIEKEALAGSAGHMKEGDLVDIVSESGGEFLARGYYGLQNKGVGWTLTRNKHEQIDQAFFLSKLTKAAQARAKLFEAQDTTAFRLFNGEGDGVGGVTIDYYDGYLLIQWYSKGIYTFKDMLISALDEMDLDYKAIYEKKRFDTAGQYVEDDDFVKGRRGEFPIIIQENGIQYAVDLNEGAMTGIFLDQRHVRKAIRDRYAKGKTVLNTFSYTGAFSVAAALGGAEKTTSVDVANRSLAKTIEQFSVNKLDYEAHDIKVMDVFNYFSYAAKKDLRFDLIILDPPSFARTKKRTFSAAKDYKNLLKETIAITADKGVIVASTNSSAFGMKKFKGFIDAAFKETNERYTIIEEFTLPEDFKTISAFPEGNYLKVVLLQKK- 3VSE Chain:A ((1-390)) MKIATLNKGKETKYFNGYPLIEEEDIY-SQDHLKEGDIFQIVTDKS-QYVATAYVGRQHKGLGWVLTYDKAQEINTAFFVKLFNTALAERDYYFNIDGTNAFRLFNAEGDGVGGLTIDNYDGHLLIQWYSKGIYKFKYAILEAVRKV-FDYKSIYEKVRFKDSE---YSGGFVEGDAPEFPIVIEENFTFYNVDLEDGLMTGIFLDQKEVRKKLRGQYAKERHVLNLFSYTGAFSVIAA-SEASSTTSVDLANRSRSLTEENFGLNAIDPKSQYIYVMDTFDFYKYAARHGHSYDTIVIDPPSFARNKKRTFSVQKDYDKLINGALNILSSEGTLLLCTNASVYPLKQFKNTIKKTLEESGVDYELTEVMGLPKDFKTHPHYKPSKYLKAVFVNIRH

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 : 2194 -204857 -93.37 -526.62 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -93.37 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.535

(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: