Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNSSSQLKRGLKNRHIQLIAMGGAVGTGLFLGSAQVIQSAGPSIILGYAIVGLVAF-LIMRQMGEMIVEEPVVGSFSYFAQ-KYWGRFPGF-LSGWNYWVVYILVAMTELTAVAKYVHYWWPHIPAWVSV-LFFFVLVTCLNL-GNVKFYGESEFWLAIIKVAAVISMIVFG-LYL-LLTAGSDSIASFSNL-WQHG-GFFPHGFSGLFYMLAFLMFAFGGIELIGMTAAEAENPEKSIPQAINQVIFRILVFYVASLAIIMSLIPWNQLDLGGLDKSPFVMIFSQLGIGWAAHLLNFI--ILTAALSV----YNSGMYANS-RMLYGLA--VQGNAP-KVFAKVSKQ--GV-PTSAVI-----FSSILIFGCVLLNY---FIPEEALSYLMYMAVAALVLNWAIIGFTHLKFKRSMKLENKIAKFPALF---------SPLSNYIVLTFIGMILYIMWTQGFEKSVIIIPIWIAFMFGLYTILS 5GOO Chain:A ((11-457)) -SLRETESWKLLESSIIYY--EGNPIGTVAAQDPELAALNYDQCFLRDFVPSAFVFLMDGQTDIVRNFLIETLTLQ-SHEKEMDCFQPGAGLMPASFKVESDG-----SKEYLVADFGEKAIARVPPVDSCMWWILLLRAYEKATGDLTLAREPKFQAGIKLILDLCLAHRFSMYPTMLVPDGA--------FMIDRRMGVYEH----PLEIQVLFYAALRAARELLLPDGDGEQYLNKVHGRLGALQYHIRNYYWVDLKRLREIYRYKGNEFGKEIANKF-NIFSQSIPDWVIEWLPEKGGYLAGNLGPGRMDFRFFALGNLMAILAGLASEEESQRIMNLFAHRWEDLIGYMPVKICYPALQGLEWQIVTGCDPKNIPWSYHNGGNWPVLLWLFTAAALKTGKVELAHEAIAIAEGRLSND--KFPEYYDGNNGRLIGKEARIYQTWSIAGLLVAKQFLANPDHVEFIS---------------

General information: TITO was launched using: RESULT: Template: 5GOO.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 : 2076 -141074 -67.95 -345.77 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -67.95 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_5GOO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GOO-query.scw PDB file : Tito_Scwrl_5GOO.pdb: