Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREELKGIFASVFGEKEGLRFFFAPGRVNLIGEHTDYNGGHVFPCALTMGTYAAVA---ERNDGLVRMYSDNFRNAGIKECSLDDIRYQKED----DWANYPKG---VIYEF-----QQRGYAVP-HGFDIVFSGNIPNGAGLSSSASIELLMGV-VLQSYFHP--EVDALELVKMAQHAENHFIGVNCGIMDQFAIGMGKKHHAMLL----NCDTLDYEYSKLNVSGLALVIANT---NKKRTLADSSYNTRRQECNDALLDLKKGLDIAALGDIKPSDFDAHSSLIQNETNRRRAKHAVYENHRAIKTAHMFKENNIDEIGQLMKESHLSLKDDYEVTCPELDELVFAAWDHEGVIGSRMTGAGFGGCTISIVKDEFVDDFIQKVGDRYQEKTGLRADFYVADIGEGARELKGE 2AJ4 Chain:A ((70-314)) -----------------------SPGRVNLIGEHIDYCDFSVLPLAIDFDMLCAVKVLNEKNPSITLINADPKFAQRKFDLPLDG-SYVTIDPSVSDWSNYFKCGLHVAHSFLKKLAPERFASAPLAGLQVFCEGDVPTGSGLSSSAAFICAVALAVVKANMGPGYHMSKQNLMRITVVAE-HYVGVNNGGMDQAASVCGEEDHALYVEFKPQLKATPFKFPQLKNHEISFVIANTLVVSNKFETAPTNYNLRVVEVTTA------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2AJ4.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 : 1044 -13275 -12.72 -63.52 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -12.72 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.250

(partial model without unconserved sides chains): PDB file : Tito_2AJ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AJ4-query.scw PDB file : Tito_Scwrl_2AJ4.pdb: