Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKSSSKIGGEYGEVRATIDVNKLNAYLKDKVPRVKAPVDVKQFKFGQSNPTYFLTDASNTRWVLRKKPAGQLLSTTAHQIEREYTILNAIHRHNVKSSTPSEQNVPVPEPIILCEDKEIIGTPFYIMEFLDGRIFTNPRMPEIPENDRRECWLSAVRALAALSSLVPQELGLSNFAPMTPYFPRQIKSLSRVSQVQSEAADVETGIPTGKIPKFDEMIAWYRSHLPDESKTGSRIVHGDYKIDNMIFHPTENRVIGILDWELCTLGSPLADLANLTQPWSVDPSQIPEEYRVSLLRGFKNQTDDIPIDLETLEREYCRLTHQPYPITEMVFARSWMLFRLSVISQGIAARYARRQASSEQAFLHVKLFPIVGELAIRVLEDAGHVLELKSKL 3DXP Chain:A ((21-337)) ------------------FDTEALEAWMRQHVEGFAGPLSVEQFKG-QSNPTFKLVTPGQT-YVMRAKPG---------AIEREYRVMDAL----------AGTDVPVAKMYALCEDESVIGRAFYIMEFVSGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQAIGLGDYGKPGNYFQRQIERWTK----QYKLSETES------IPAMDSLMDWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTEPRVLAVLDWELSTLGHPMGDFGYHCMSWHIAPGQF------RGIAGLDHAALGIP-DEASYRKLYEQRTGRPI-TGDWNFYLAFSMFRIAGILQGIMKRVVDGTASSAQAL------------------------------

General information: TITO was launched using: RESULT: Template: 3DXP.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 : 1370 -171122 -124.91 -559.22 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -124.91 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_3DXP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxp-query.scw PDB file : Tito_Scwrl_3DXP.pdb: