Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEPDLECEQIRLKCIRKEGFFTVPPEHRLGRCRSVKEFEKLNRIGEGTYGIVYRARDTQTDEIVALKKVRMDKEKDGIPISSLREITLLLRLRHPNIVELKEVVVGNHLESIFLVMGYCEQDL-----ASLLENMPTPFSEAQVKCIVLQVLRGLQYLHRNFIIHRDLKVSNLLMTDKGCVKTADFGLARAYGVPVKPMTPKVVTLWYRAPELLLGTTTQTTSIDMWAVGCILAELLAHRPLLPGTSEIHQIDLIVQLLGTPSENIWPGFSKLPLVGQYSLRKQPYNNLKHKFPWLSEAGLRLLHFLFMYDPKKRATAGDCLESSYFKE--KPLPCEPELMPTFPHHRNKRAAPATSEGQSKRCKP 1PYE Chain:A ((1-294)) -----------------------------------MENFQKVEKIGE---GVVYKARNKLTGEVVALKKI-----------TAIREISLLKELNHPNIVKLLDVI---HTE-LYLVFEFLHQDLKKFMDASALTGIPLPL----IKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADF----------------VVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDY-KPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVP-------------------------------

General information: TITO was launched using: RESULT: Template: 1PYE.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 : 1213 -89059 -73.42 -349.25 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -73.42 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.358

(partial model without unconserved sides chains): PDB file : Tito_1PYE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1pye-query.scw PDB file : Tito_Scwrl_1PYE.pdb: