Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKRTVKNIAEMVKGTLANPQYEQTVIHGVATDTRKLEQHQLFIPLKGERFDGHSFVEQAFEAGVAAVLWDRSVPNPPENHAVILVDDTLTALQQLAKAYLQELGTRVIGVTGSNGKTTTKDMIHAVLGTQYR-VHKTGGNFNNHIGLPLTVLAMPENTEIAVLEMGMSAKGEIDLLSRLANPDAAVITNIGESHMQDLG-SREGIAEAKLEIINGLKEDGVLIYIGDEPLLQNAY---SCQTKTYGTGTHNDYQLQDVSQSEEGTHFTIK---GIENTFFIPILGKHNVMNAMAAIAAGAYFGIAPEDAAKGLSGLKVTGMRLELIKT----DSGLSIINDAYNASPTSMKAAIQLTESLEGYGKKMLVLGDMLELGDLEETFHKECGAVISPDKIDRVFTYGK-----------LGAFIAEGALKHFEKDRVSHYTEKKDLLQAVKENASKGDLILFKASRGMKLEEIVKDLIESPLS 1P3D Chain:A ((117-463)) --------------------------------------------------------------------------------------------------------FRHGIAVAGTHGKTTTTAMISMIYTQAKLDPTFVNGGL----VKSAGKNAHLGASRYLIAEADESDA-----SFLHLQPMVSVVTNMEPDHMDTYEGDFEKMKATYVKFLHNLPFYGLAVMCADDPVLMELVPKVGRQVITYGFSEQADYRIEDYEQTGFQGHYTVICPNNERINVLLNVPGKHNALNATAALAVAKEEGIANEAILEALADFQGAGRRFDQLGEFIRPNGKVRLVDD-YGHHPTEVGVTIKAAREGWGDKRIVMIFQPHR--YSRTRDLFDDFVQVLSQ--VDALIMLDVYAAGEAPIVGADSKSLCRSIRNLGK-VDPILVSDTSQLGDVLDQIIQDGDLILAQGAGSVS--------------

General information: TITO was launched using: RESULT: Template: 1P3D.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 : 1940 -171885 -88.60 -530.51 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -88.60 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_1P3D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1P3D-query.scw PDB file : Tito_Scwrl_1P3D.pdb: