Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPLRNSDRTREEILTRYFPQYR-LIAPQAP-SGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKR-LPADLVPKPRFYRQ--GWMAVEYLAGE-IGNTLP------ETAVLAAMLCHLHRQPRLGW-RVTLLPLLEQYWQQASADRR--TP---FWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAA---RQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSR-DKQFIALADDAWRQLQTKG 3DXQ Chain:A ((2-282)) -----MTDEARAKLAA-IPMLAGYTGPLERLGGLTNLVFRA----GDLCLRIPGK----YINRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLS--NVTLPAGYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKFNANQDEELMRAYFGGE--ARPAERGRVVIYKAMCDLLWTLWGLIQLANDNPVDDFRAYADGRFARCK---

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 : 1186 5992 5.05 23.68 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 5.05 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.479

(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: