Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKQIIFEDEHIRAIFLQGDSNTLVLSFGDLITRASGLSINAEKSLIKYQYNVIGVMPKQ--KSWF-PKASMVELAKVILPIIQ---RFKNIVGYGGSMGGYAAIKYSNLLN--MNRIIAFVPQYSIDPEQVE-D---------------R----R------------YAEFFD----------AVANNDM----QIQP-QDVD---ASREYIIVYDPYFSI-DREHYLKIKEILPSLHTIHLPFTGHEALSVLASSSLLHDFIEHEFDETYFYQQVRKIKKQSKFYYRNVLANVLTYHDSMLLKILRQNDFQLDERYLDNPLKQAVTRSLIKTKQATEQDFQKLGIKIQYSQQAKNPKKGFKNQFDAILVFNLINLKLETYAVDVVLANPSYLIPIVAGHTGVVQIELNNELYLLGMNDRKIIKLFKQGDALTSDMSPFVIKQYSDFFALSYKQLNLNCDKQGVCDYVESSIQPSQQFVLTSY 3FSG Chain:C ((48-249)) ------------------------------------------------GQYQRIYLDLPGMGNSDPISPSTSDNVLETLIEAIEEIIGARRFILYGHSYGGYLAQAIAFHLKDQTLGVFLTCPVITADHSKRLTGKHINILEEDINPVENKEYFADFLSMNVIINNQAWHDYQNLIIPGLQKEDKTFIDQLQNNYSFTFEEKLKNINYQFPFKIMVGRNDQVVGYQEQLKLINHNENGEIVLLNRTGHNL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FSG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 446 -6160 -13.81 -43.08 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.55 3D Compatibility (PKB) : -13.81 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3FSG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FSG-query.scw PDB file : Tito_Scwrl_3FSG.pdb: