Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVMQLLPELNSGGVERGTLEIARALVAQGHQSLVVSNGGRLVSQLEAEGSTHLTLPIHKKSLSSLWQIRPLRQLIEEHQPDIVHVRSRVPAWLTHFALRKI--PANKHPHLISTVHGFYSVNRYSAIMT---QAEKVIAVSDSVVKYITDHYKNCPPQDIVRIYRGIDPAAFPHNYQPSAQWFNQVFNDFPELENKFLLCLPGRITRLKGHESLIELMQKLGEQYPQLHAVVVGGADVKKQTYLSELQNTIQSKGLADKITFVGHRSDIREWLAFSDIVLSLSNQAETFGRTALEALSVGTPVIGWNRGGVAEILSHVYPQGLVEAENEKALVERVKHHIEQPQTVAPVTMFSLKDMCDQ--TLELYQSVLK----- 4XSO Chain:A ((7-384)) MKILFLDQSGKPGGAELCLIDIAKPY--RDRALVGLFADGAFKTLLEQHHIPVEVFTNQPSLGQLAPLVAKVVQTAHEY--DLIYANTQKALVVGAIASFIARRPLVYHLHDILSPEHFSQTNLRVAVNLANRFASLVIANSQASQTAFIQ--AGGRAELTKVIYNGFDINLYKTSPSDISKLRQQL-----GVANNFVVGHFSRLSPWKGQHILIDALAQCP---PQVTAILVGDALFGEQDYVKELHQQITRLGLENRVKFLGFRADIPQLMAACDLVAHTSTAPEPFGRVIVEAMLCGKPVVAAKAGGAMELVEHGVNGFLTTPGESQELANIINTCIEDTQKTATIASNAQAIASQRFDVVTINQQIAETLSSL

General information: TITO was launched using: RESULT: Template: 4XSO.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 : 1970 -38729 -19.66 -110.02 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -19.66 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_4XSO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XSO-query.scw PDB file : Tito_Scwrl_4XSO.pdb: