Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEPDLECEQIRLKCIRKEGFFTVPPEHRLGRCRSVKEFEKLNRIGEGTYGIVYRARDTQTDEIVALKKVRMDKEKDGIPISSLREITLLLRLRHPNIVELKEVVVGNHLES-IFLVMGYCEQDL-----ASLLENMPTPFSEAQVKCIVLQVLRGLQYLHRNFIIHRDLKVSNLLMTDKGCVKTADFGLARAYGVPVKPMTPKVVTLWYRAPELLLGTTTQTTSIDMWAVGCILAELLAHRPLLPGTSEIHQIDLIVQLLGTPSENIWPGFSKLPLVGQYSLRKQPYNNLKHKFPWLSEAGLRLLHFLFMYDPKKRATAGDCLESSYFKE--KPLPCEPELMPTFPHHRNKRAAPATSEGQSKRCKP 4FKT Chain:A ((2-295)) -----------------------------------MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKI---------PSTAIREISLLKELNHPNIVKLLDVI---HTENKLYLVFEFLHQDLKKFMDASALTGIPLPL----IKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAF---------EVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDY-KPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVP-------------------------------

General information: TITO was launched using: RESULT: Template: 4FKT.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 : 1329 -74562 -56.10 -278.21 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -56.10 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_4FKT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4fkt-query.scw PDB file : Tito_Scwrl_4FKT.pdb: