Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKADWFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQ-NWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEAKRIFDTTPNFYQL-RIEAYLLATGVKHPELR-PLFEAEAARL--AATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPREVGMRRMVEAFWAAYQTGRPTPELETRVGRLLVMLLLARVDGKSPVEYLDVGRQDFVRQFARVMLHEEAPSLGVVTNAWFARLSQFTS 3DXQ Chain:A ((4-249)) --------------------DEARAKLAAIPML-AGYTGPLERLGGLTNLVFRA----GDLCLRIPGK-----------YINRANEAVAAREAAKA-GVS-PEVLHVDPATGVMVTRYIAG--AQTMSPEKF--KTRPGSPARAGEAFRKLHGSGAVFPFRF-ELFAM-IDDYLKVLS--NVTLPAGYHDVVREAGG-VRSALAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKF-----------NANQDEELMRAYFGGEARPAERGRVVIYKAMC-----------------------------------------------------

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 : 1052 -49711 -47.25 -211.54 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -47.25 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.263

(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: