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:B ((4-249)) --------------------DEARAKLAAIPML-AGYTGPLERLGGLTNLVFRA----GDLCLRIP---------------NRANEAVAAREAAKA-GVS-PEVLHVDPATGVMVTRYIAG--AQTMSPEKF--KTRPGSPARAGEAFRKLHGSGAVFPFRF-ELFAM-IDDYLKVLSTKNVTLPAGYHDVVREAGG-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 B - contact count / total energy / energy per contact / energy per residue : 1050 -50577 -48.17 -217.07 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -48.17 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.262

(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: