Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMLLVLFDKQGQILLCRNPSGYSVPTNGAEVDEGFGFGSPQEENRWFWENCGLLVYRRYICFYKDYCAAVFELYGEGNVGKEFIWMDSGSLDKFIVGNSLTVLLKAVMKNYNCSKTVSWVNKDGFQPYLNWALKAAGSDTQLTYGKIEQIKNTYVSTIFRFQAGEEIFYLKIPGK--TYLNDAVHIEKFLVNSTYGLPEITAVYPDGNAFLAKAMGGH-DLSV-E--TDMVFLEQVVEQWADMQQRFTEKQDAFSSKIPLLHNYTAEGIMKRIDNFPSEVSDIFAFLNEQSNAVDAAKTGQMIREVKRLLSLLAKCKVPDTLCHGDLRPGNIRVVNGFCFLYDWGMGMYGHPFYDVVHFLHVTRRQLSQEMQEKIKNTYLKQWEMYGTGKDILRNYETVERLKDFFMVLADADWLMETIEAVGGKVPEGSMDSWLLMRRVYYFRRVLGRFLAGDNN 3DXQ Chain:A ((25-256)) ------------------------------------------------------------------------------------------------------------------------------------------------------RLGGLTNLVFRA----GDLCLRIPGKYINRANEAVAAREAAKAG-VS-PEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRF-------E-L-----FAMIDDYLKVLS------NVTLPA-G---YHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGK--FN----ANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLW----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DXQ.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 : 1004 -2644 -2.63 -12.02 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -2.63 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.223

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: