Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METIIIALIAFIIGIIAIPIVLFAWIYIKDEKQQEHSILRNYPVIGRFRYILEKIGPELRQYLYSNDNEEQPFSRKEYEQTVISGKYKSRMMGFGSVRDFDKPGYYIRNAMFPKQREEMHVNQTPKIETQIYKMDADNLFKRKEHAEHIKADPYFLHPDDVQVIGEHTCEKPFYVKGLVGQSAMSYGSLGERAVTALSKGLHLAGGTWMNTGEGGLSEYHLKGGAD------IICQIGPGLFGVRKRNGEFSWEEFKRKSRIDQIKAFELKLAQGAKT-RGGHVDGAKVSEEVADIRNVEPGKSIDSPNRFYEFSNPPEMLDFIEKLRDVG-QKPVGIKLVAGHPEELHELFSHMQKSGKHPDFITIDGSEGGTGASFYELADTVGLPIMTALPIVDTLLKQYGLRSQLKIFASGKLLTPDKIAVALALGADFVNIARGMMFSVGCIRALVCHTNTCPAGVATTDPKL-QKALSVEEKQHRVCNYVISLREGLFNLAAAAGINSPIHFSKEHVVYRKEDGSIINIDNLIHQFVS 2VDC Chain:A ((858-1157)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSMGALSPEAHGTLNVAMNRIGAK-SDSGEGGEDPARFRPDKNGDNWNSAIKQVASGRFGV---TAEY----------LNQCRELEIKVAQGAKPGEGGQLPGFKVTEMIARLRHSTPGVMLISPPPHHDIYSIEDLAQLIYDLKQINPDAKVTVKLVS--RSGIGTIAAGVAKA--NADIILISGNSGGTGASPQTSIKFAGLPWEMGLSEVHQVLTLNRLRHRVRLRTDGGLKTGRDIVIAAMLGAEEFGIGTASLIAMGCIMVRQCHSNTCPVGVCVQDDKLRQKFVGTPEK---VVNLFTFLAEEVREILAGLGFRS------------------------------

General information: TITO was launched using: RESULT: Template: 2VDC.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 : 1594 -119951 -75.25 -412.20 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -75.25 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_2VDC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VDC-query.scw PDB file : Tito_Scwrl_2VDC.pdb: