Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEPDLECEQIRLKCIRKEGFFTVPPEHRLGRCRSVKEFEKLNRIGEGTYGIVYRARDTQTDEIVALKKVRMDKEKDGIPISSLREITLLLRLRHPNIVELKEVVVGNHLESIFLVMGYCEQDLASLLENMPTPFSEAQVKCIVLQVLRGLQYLHRNFIIHRDLKVSNLLMTDKGCVKTADFGLARAYGVPVKPMTPKVVTLWYRAPELLLGTTTQTTSIDMWAVGCILAELL-AHRPLLPGTSEIHQIDLIVQLLGTPSENIWPGFSKLPLVGQYSLRKQPYNNLKHKFPWLSEAGLRLLHFLFMYDPKKRATAGDCLESSYFKEKPLPCEPELMPTFPHHRNKRAAPATSEGQSKRCKP 4AU8 Chain:B ((6-292)) ------------------------------------QKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRL----EGVPSSALREICLLKELKHKNIVRLHDVLHS---KKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPV------VVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPAT-TSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSD-----------------------------------

General information: TITO was launched using: RESULT: Template: 4AU8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1428 -126129 -88.33 -458.65 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -88.33 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.387

(partial model without unconserved sides chains): PDB file : Tito_4AU8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4au8-query.scw PDB file : Tito_Scwrl_4AU8.pdb: