Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAGVLSILPWLADTLLSPADAYPESSSSSSSRSRSTSPSRSRTSSPPPNTDADLADERLSLRTDQLLPVEGANSPCALPQPRCVRREGKVLHGASGDFVWKVEYEGSSMIVKGGPG-----ITKAEAEMTIFVRTR-TSIPVPKVYGVVHEDDSTYIYFEFVAGVSLTS-AVQRLSEPALSSVYKQLRQMLDELHAVLAPPGTVIGSLDGSNTFAFTIRQGNDSPRAFGDLTSSAALADYFKEEYLALPDTSQEAWAAIEAHL-GRSSPLVLVHGDLWPSNILVSVDNLDNPFVAAIIDWENGGFYPEWVEFPPVARRALGG-RCDATDRVLQVVAGSDNVEGFNKEDYRWATHVYGAF 4DCA Chain:A ((42-271)) ----------------------------------------------------------------------------------------LRYLSSGDDSDTFLC---NEQYVVKVPKRDSVRISQKRELELYRFLENCKLSYQIPAVVYQ----SDRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSDALVNKKDKFLQDKKLLISI---LEKEQLLTD-------EMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFRNN-----RLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKA--------------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 837 -12753 -15.24 -57.71 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -15.24 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.173

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: