Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAARWHNQKDIRIEHIEEPKTEPGKVKIKVKWCGICGSDLHEYLGGPIFIPVDKPHPLTNETAPVTMGHEFSGEVVEVGEGVENYKVGDRVVVEPIFATH--------GHQGAYNLDEQMGFLGLAGGGGGFSEYVSVDEELLFKLPDELSYEQGALVEPSAVALYAVRSSKLKAGDKAAVFGCGPIGLLVIEALKAAGATDIYAVELSPERQQKAEELGA-IIVDPSKTDDVVAEIAERTGGGVDVAFEVTGVPVVLRQAIQSTTIAGETVIVSIWEKGAEIHPNDIVI-KERTVKGIIGYR--DIFPAVLSLMKEGYFSADKLVTKKIVLDDLIEEGFGALIKEKSQVKILVRPN 3GFB Chain:D ((22-348)) ----------------VDVPKPGPGEVLIKVLATSICGTDLHIYEWNEWAQSRIKP--------PQIMGHEVAGEVVEVGPGVEDLQVGDYISVE----THIVCGKCYACKHNRYHVCQNTKIFGV-DMDGVFAHYAIVPAKNAWKNPKDMPPEYAALQEPLGNAVDTVLAGPI-AGRSTLITGAGPLGLLGIAVAKASGAYPVIVSEPSEFRRKLAKKVGADYVVNPFEEDPVKFVMDITDGAGVEVFLEFSGAPKALEQGLKAVTPGGRVSLLGLFPREVTIDFNNLIIFKALEVHGITGRHLWETWYTVSSLIQSGKLNLDPIITHKYKGFDKFEEAF-ELMRAGKTGKVVFFPH

General information: TITO was launched using: RESULT: Template: 3GFB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1840 -182705 -99.30 -580.02 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -99.30 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_3GFB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GFB-query.scw PDB file : Tito_Scwrl_3GFB.pdb: