Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEPDLECEQIRLKCIRKEGFFTVPPEHRLGRCRSVKEFEKLNRIGEGTYGIVYRARDTQTDEIVALKKVRMDKEKDGIPISSLREITLLLRLRHPNIVELKEVVVGNHLES-IFLVMGYCEQDL-----ASLLENMPTPFSEAQVKCIVLQVLRGLQYLHRNFIIHRDLKVSNLLMTDKGCVKTADFGLARAYGVPVKPMTPKVVTLWYRAPELLLGTTTQTTSIDMWAVGCILAELLAHRPLLPGTSEIHQIDLIVQLLGTPSENIWPGFSKLPLVGQYSLRKQPYNNLKHKFPWLSEAGLRLLHFLFMYDPKKRATAGDCLESSYFKE--KPLPCEPELMPTFPHHRNKRAAPATSEGQSKRCKP 4D1Z Chain:A ((3-294)) -------------------------------------NFQKVEKIG----GVVYKARNKLTGEVVALKKI------------AIREISLLKELNHPNIVKLLDVI---HT--KLYLVFEFLHQDLKKFMDASALTGIPLPL----IKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFG-----------------TLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDY-KPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVP-------------------------------

General information: TITO was launched using: RESULT: Template: 4D1Z.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 : 1190 -57741 -48.52 -231.89 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -48.52 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.393

(partial model without unconserved sides chains): PDB file : Tito_4D1Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4d1z-query.scw PDB file : Tito_Scwrl_4D1Z.pdb: