Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEFILNAADFGVPRDGKTDSTERINQCLSTAVSKGYHTVWFPKGTYLIDATLGGDLNQRFRNAGIIVPGNLEIMMD--PECIMKVIPNSSWGYSAFYVGKQ----ENITISGGQIIGERDEHTYASAGIRSTHEWGFGICIEGCSNVVIDDVKISDFTGDGIIVSPRG-----LKTNQ-DYRTSEQIIIRRCEVRRSRRNNISITGCDMVTVEECLIEDAGTGNGTAPKFGIDIEGYGEGDVDYEEPINVSIRNNHFVGNVSSSVTNF------NGYGILIEGNHS-DNTIS---------------YGYGTQTVIKGNILRRPEDAAAAPRVGITGLGVSQ----GKETSDAVIAGNLITGFS-----TG-IDV--RGKSVLVTNNKISNFEN--TGILV----YQSSDVKVDGNQIQNGLSETRRSIGLRAV-LSDDIAFLNNCLIQVV----DGVNV-SGGNMIIKDNLLRKFSRGIWIAQGNAVIEGNTLNPDAFEAVPESYSVSVTNNAGAIIKNNTFKEFKNYPIYCSTSAKTSIIGNHLERSPLLVTIYISAGVHEIFDNTISVNRTAGNPIVIYLNGSAGSIISGNTINNLSAGTATAIQTNTSTNSKIIGNRIFKGTINKHSSDTIDGNMIV 3GQ8 Chain:A ((19-451)) -KQFGVSVKTYGAKGDGVTDDIRAFEKAIES-----GFPVYVPYGTFMVSRG-------------IKLPSNTVLTGAGKRNAVIRFMDSVGRGESLMYNENVTTGNENIFLSSFTLDGNNKRLGQGI-SG-IGGSRESNLSIRACHNVYIRDIEAVDCTLHGIDITCGGLDYPYLGDGTTAPNPSENIWIENCEATGFGDDGITTHHSQYINILNCYSHDPR---LTANCNGFEIDD---------GSRHVVLSNNRSKGCY-GGIEIKAHGDAPAAYNISINGHMSVEDVRSYNFRHIGHHAATAPQSVSAKNIVASNLVSIRPNNKR-----GFQD-NATPRVLAVSAYYGVVINGLTGYTDDPNLLTETVVSVQFRARNCSLNGVVLTGFSNSENGIYVIGGSRGGDAVNISNVTLNNSG-----RYGVSIGSGIENVSITNISGIGDGINSPVALVSTINSNPEISGLSSIGYP--------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GQ8.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 : 2475 -203943 -82.40 -543.85 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -82.40 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_3GQ8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GQ8-query.scw PDB file : Tito_Scwrl_3GQ8.pdb: