Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNRVSSALEDAFPNRTVDNVSSAGISWNAQNRTVAVDFGDGQRVFLKVAVNGD-RSRIERERAVISYVGANCAVSVPNVIATET-TGPVPYLATEPVSGQPLTTLL-ADATRTERAALAHDVGSALARVHDCRFEEHGHVVGGDADHLELDTGTWTDVLVETISEMREMAPCDRFDQHFEMVSDAVERNRD--RLDRASATLLHGDPACPNCFRTG----D-GVGFLDWELSHVGDPVRDRSRTLDQQFDSLREGSPEGVVSAFYDGYRSQAGGLPSGFEERRPIYEVIRLLSVSGYFERTADYRDESRSDLAAWLEAEMRRRLDAIRR 3TDW Chain:A ((5-274)) -KLHYTTMIMTQFPDISIQSVESL--GEGFRNYAILVN---G-DWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAISAGVP--------VTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDC--------GE-LFTRQVMAYRGEVD-LD-THIRKVSLFVTFDQVSYL----------------------------------

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 : 1141 -8661 -7.59 -33.31 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -7.59 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.297

(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: