Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREELKGIFASVFGEKEGLRFFFAPGRVNLIGEHTDYNGGHVFPCALTMGTYAAVAERNDGLVRMYSDNFRNAGIKECSLDDIRYQKEDDWANYPKGVIYEFQQRGYAVPHGFDIVFSGNIPNGAGLSSSASIELLMGVVLQSYFHPEVDALELVKMAQHAENHFIGVNCGIMDQFAIGMGKKHHAMLLNCDTLDYEYSKLNVSGLALVIANTNKKRTLADSSYNTRRQECNDALLDLKKGLDIAALGDIKPSDFDAHSSLIQNETNRRRAKHAVYENHRAIKTAHMFKENNIDEIGQLMKESHLSLKDDYEVTCPELDELVFAAWDHEGVIGSRMTGAGFGGCTISIVK-DEFVDDFIQKVGDRYQEKTGLRADFYVADIGEGARELKGE 2OI2 Chain:A ((4-292)) -----------------KVGVGQAHSKIILIGEHAVVYGYPAISLPLLEVEVTCKVVPAE----------------------------SPWRLYEEDTLSMAVYASLEYLNITEACIRCEIDEKRGMGSSAAISIAAIRAVFDYYQADLPHDVLEILVNRAEMIAHMNPSG-LDAKTCLSDQP----IRFIKNVGFTELEMD-LSAYLVIADTGVYGHTREAIQVVQNK-------------------------------------GKDALPFLHALGELTQQAEIAISQKDAEGLGQILSQAHLHLKE-IGVSSLEADSLVETALSH-GALGAKMSGGGLGGCIIALVTNLTHAQELAERLEEKGAVQTWIESL----------------

General information: TITO was launched using: RESULT: Template: 2OI2.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 : 1721 -154382 -89.70 -543.60 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -89.70 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.385

(partial model without unconserved sides chains): PDB file : Tito_2OI2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OI2-query.scw PDB file : Tito_Scwrl_2OI2.pdb: