Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVLQELTKKKYSSLKTMFDDKY-CPTFVYSILDQTIPGAVYADD----------QTFPKSFFIG-----TESGIYFIAGDQGNRDFHDFIAGYYEEQVKSSKRFTLFSSSD-TWDSVLKPILKDDLNQMRRAAFSYQPKSFKKTLQL-----------------PKGLVLKRIDEDIIS-HSTAFNSAYYEEYWNSVSQFASKGFGFAVLHGNHVVSECTSIFLGHNRAEMD-IYTLEEYRGLGLAYCVANR-FIAFCMENGIVPSWDCDICNNSSIALAAKLGFKTVTEYTIYYSG--- 1SQH Chain:A ((7-303)) GDILRPLSDSEVDELLDLYKVKFGIRNFHYLLLYNQRKWDRQLSEAQIPRNDLNHISLRKQFYTHRRGNFRTWGT-YVSLHRDIVQSVSFFSWQPDGAAELWECLEQTQLIEWTQGALLTNVDLGFCNRVKELAVSRGVTAIQPRQCFGMVLSHEDAFCAKVPDLPSEFEIRRLRAEDAAMVHDSWPNKG-EGSLTYLQALVRFNKSLGICRSDT--GELIAWIFQNDFSGLGMLQVLPKAERRGLGGLLAAAMSREIARGEEITLTAWIVATNWRSEALLKRIGYQKDLVNEWIKLVPNS

General information: TITO was launched using: RESULT: Template: 1SQH.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 : 1237 -133047 -107.56 -517.69 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -107.56 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.385

(partial model without unconserved sides chains): PDB file : Tito_1SQH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQH-query.scw PDB file : Tito_Scwrl_1SQH.pdb: