Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEPDLECEQIRLKCIRKEGFFTVPPEHRLGRCRSVKEFEKLNRIGEGTYGIVYRARDTQTDEIVALKKVRMDKEKDGIPISSLREITLLLRLRHPNIVELKEVVVGNHLES-IFLVMGYCEQDL-----ASLLENMPTPFSEAQVKCIVLQVLRGLQYLHRNFIIHRDLKVSNLLMTDKGCVKTADFGLARAYGVPVKPMTPKVVTLWYRAPELLLGTTTQTTSIDMWAVGCILAELLAHRPLLPGTSEIHQIDLIVQLLGTPSENIWPGFSKLPLVGQYSLRKQPYNNLKHKFPWLSEAGLRLLHFLFMYDPKKRATAGDCLESSYFKE--KPLPCEPELMPTFPHHRNKRAAPATSEGQSKRCKP 2VTQ Chain:A ((1-294)) -----------------------------------MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR---------STAIREISLLKELNHPNIVKLLDVI---HTENKLYLVFEFLHQDLKKFMDASALTGIPLPL----IKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFG---------------VVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDY-KPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVP-------------------------------

General information: TITO was launched using: RESULT: Template: 2VTQ.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 : 1240 -72962 -58.84 -278.48 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -58.84 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.359

(partial model without unconserved sides chains): PDB file : Tito_2VTQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2vtq-query.scw PDB file : Tito_Scwrl_2VTQ.pdb: