Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLPKALKTKDRILQISLQLFNERGERSVTTNHIAAELGISPGNLYYHFRNKHEIIKEL--MHQYQVETLEM---LSLPEDRPLTTNDKINYFQVLSGQLW--NYRFIHRDVYHLVESNEDFKKIYPRFAGQ--VMQQGQ---------RIYQAFVDAGLMKMTPSEI----EALIINLWI--VLTNWTNFLYMSRHISDNNHLEEKWVWQALRQMVFLEGPYLMGESRATYEQLLESLGPSDLFASLSSLKDE 3BCG Chain:A ((8-178)) ----EAQETRQHILDVALRLFSQQGVSSTSLGEIAKAAGVTRGAIYWHFKDKSDLFSEIWELSESNIGELELEYQAKFPGD-PLSVLREI-LIHVLESTVTEERRRLLMEIIFHKCE-----------FVGEMAVVQQAQRNLCLESYDRIEQTLKHCIEAKMLPADLMTRRAAIIMRGYISGLMENW------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BCG.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 : 451 -61226 -135.76 -416.50 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -135.76 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.271

(partial model without unconserved sides chains): PDB file : Tito_3BCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BCG-query.scw PDB file : Tito_Scwrl_3BCG.pdb: