Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNLNEKQLITEIVGLARSQGLTVHSENAQLNETGMDFQVVFAKDDTGMPWVLRKPRRSDVVERASAEGITLAFLRANLTADVPDW-----RIHTPELIAYPMLKGTPAAGIDLEQKQYVWNMDHQPPSDDFVRTLADILAELHGTDQISAGQSGIEVIRPEDFRQMTADSMVDVKNKL---GVSTTLWERWQKWVDDDAYWPGFSSLIHGDLHPPHILIDQNGR---VTGLLDWTEAKVADPAKDFVLYQTIFGEKETARLLEYYDQAGGRIWAKMQEHISEMQAAYPVEIAKLALQTQQEEHINMALEALGVTSD 3TDV Chain:A ((42-249)) --------------------------------------------------WVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILG----EDGMAVFPDDAK---DRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGELFTRQVMAY----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TDV.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 : 772 -81167 -105.14 -412.01 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -105.14 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.313

(partial model without unconserved sides chains): PDB file : Tito_3TDV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TDV-query.scw PDB file : Tito_Scwrl_3TDV.pdb: