Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKSSSKIGGEYGEVRATIDVNKLNAYLKDKVPRVKAPVDVKQFKFGQSNPTYFLTDASNTRWVLRKKPAGQLLSTTAHQIEREYTILNAIHRHNVKSSTPSEQNVPVPEPIILCEDKEIIGTPFYIMEFLDGRIFTNPRMPEIPENDRRECWLSAVRALAALSSLVPQELGLSNFAPMTPYFPRQIKSLSRVSQVQSEAADVETGIPTGKIPKFDEMI-AWYRSH-LPDESKTGSRIVHGDYKIDNMIFHPT--ENRVIGILDWELCTLGSPLADLANLTQPWSVDPSQIPEEYRVSLLRGFKNQTDDIPIDLETLEREYCRLTHQPYPITEMVFARSWMLFRLSVISQGIAARYARRQASSEQAFLHVKLFPIVGELAIRVLEDAGHVLELKSKL 3TDW Chain:A ((4-238)) -------------------NKLHYTTMIMTQFPDI-SIQSVESLGEGFRNYAILVN---G-DWVFRFPKSQQ----GADELNKEIQLLPLLVGC---------VKVNIPQYVYIGKR--SDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAIS--AGVPVTNLKNKILLLSEAVEDQVF--P-LLD--ESLRDYLTLRFQSYMTHPVYTRYT---PRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDC-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TDW.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 : 945 -76638 -81.10 -331.77 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -81.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.242

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: