Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWLKVGGLLRGTGGQLGQTVGWPCGALGPGPHRWGPCGGSWAQKFYQDGPGRGLGEEDIRRAREARPRKTPRPQLSDRSRERKVPASRISRLANFGGLAVGLGLGVLAEMAKKSMPGGRLQSEGGSGLDSSPFLSEANAERIVQTLCTVRGAALKVGQMLSIQDN---SFISPQLQHIFERVRQSADFMPRWQMLRVLEEELGRDWQAKVASLEEVPFAAASIGQVHQGLLRDGTEVAVKIQYPGIAQSIQSDVQNLLAVLKMSAALPAGLFAEQSLQALQQELAWECDYRREAACAQNFRQLLANDPFFRVPAVVKELCTTRVLGMELAGGVPLDQCQGLS-QDLRNQICFQLLTLCLRELFEFRFMQTDPNWANFLYDASSHQVTLLDFGASREFGTEFTDHYIEVVKAAADGDRDCVLQKSRDLKFLTGFE-TKAFSDAHVEA-VMILGEPFATQGPYDFGSGETA-----RRIQDLIPVLLRHRLCPPPEETYALHRKLAGAFLACAHLRAHIACRDLFQDTYHRYWASRQPDAATAGSLPTKGDSWVDPS 5YJZ Chain:A ((48-446)) ---------------------------------------------------------------------------------------------------------------------SKD--------EVTAELMEKAANQLFTVLGELKGGAMKVGQALSVMEAAIPDEFGEPYREALTKLQKDAPPLPASKVHRVLDGQLGTKWRERFSSFNDTPVASASIGQVHKAIWSDGREVAVKIQYPGADEALRADLKTMQRMVGVLKQLSPGADVQGVVDELVERTEMELDYRLEAANQRAFAKAYHDHPRFQVPHVVA--SAPKVVIQEWIEGVPMAEIIRHGTTEQRDLIGTLLAELTFDAPRRLGLMHGDAHPGNFMLLP-DGRMGIIDFGAVAPMPGGFPIELGMTIRLAREKNYDLLLPTMEKAGLIQRGRQVS--VRE-IDEMLRQYVEPIQV-EVFHYTRKWLQKMTVSQIDRSVAQIRTARQMDLPAKLAI-PMRVIASVGAILCQLDAHVPIKALSEELIPGFAE-----------------------

General information: TITO was launched using: RESULT: Template: 5YJZ.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 : 1605 -4423 -2.76 -11.40 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -2.76 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.302

(partial model without unconserved sides chains): PDB file : Tito_5YJZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5yjz-query.scw PDB file : Tito_Scwrl_5YJZ.pdb: