Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVENTSIQGITLYSHADDFRSHWIRFLLAEKQIKYQLIVTDHE--DEDLASLNPYNQLPMLVEQNLKLFSAPIIAEYLDDRYRQNKLYADAPMARAEQRQYIWRLENDWFKLADHMLRHADTLNVEQKQKAQKELRDTLISLTPLFQHFPYFMSENFSILDCMLAPIFVRLNSMGIDLPKQQCRPIFLYCKRIFSRPSFVKSMTPQEKTRYNELLNME 3MDK Chain:B ((1-201)) ----LGATNRLACYSDPADHYSHRVRLVLAEKGVSVQLIDVDPAHLPRKLAEVNPYGSVPTLVDRDLALYESTVVMEYLEERYPHPPLMPVYPVARGNSRLLMHRIQRDWCALADTVLDPR--SSEAARTEARKALRESLTGVSPLFSEFACFMSDEQSLVDCCLLPILWRLPVLGIELP-RQAKPLLDYMERQFAREPFQASLSSVE-----------

General information: TITO was launched using: RESULT: Template: 3MDK.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 : 875 -17162 -19.61 -86.24 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -19.61 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_3MDK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MDK-query.scw PDB file : Tito_Scwrl_3MDK.pdb: