Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPFWYNTALHLLKPFYRWRIKRRAESLELYQQECLERFGPFEAPKNVKAIWFHAVSVGETNAAQPLIEYYLKLGQPVLVTNTTKTGQARAKSLFLKEPYLDLFQAVYLPVDQKPLLKKFFELYQPKLLALVETELWPNLIDQAKLQHVPCLLLNARLSEKSAKGYGKVSGLTAGMLKQLDWVLAQDSATRQRYVELGLDEHKSQVVGNIKFDIHAPEAFIKQAAQLRQQWYLENRQVVTIASTHAPE--EQQILEAFAPYLNSDRELVCIVVPRHPERFDEVFE-ICQNLNLITHRRSMGQSIHASTQVYLADSMGELWLWYALSQVCFVGGSLNEPGGGHNILEPMVLNVPTVVGPRYFNFQTIVDEFIDENA---VLIAQDAQQVVDIWLACLAEPEATEQLVAQAHKVLQRNQGSLQKHIGVINRYLAEKS 4XSO Chain:A ((7-384)) MKILFLDQSG--------------KPGGAELCLIDIAKPY-----RDRALVGLF---------ADGAFKTLLEQHHIPVEVFTNQPSLGQ--------------------LAPLVAKVVQTAH--EYDLIYANTQKALVVGAIASFIARRPLVYHLHDILSPEHFSQTNLRVAVNLANRFASLVIANSQASQTAFIQAGGRAELTKVIYNG-FDINLYKTSPSDISKLRQQLGVANNFVVGHFSRLSPWKGQHILIDALAQCPPQVTAILVGDALFGEQDYVKELHQQITRLGLENRVKFLGFRADIPQLMAACD--------------LVAHTSTAPEPFGRVIVEAMLCGKPVVAAK-----AGGAMELVEHGVNGFLTTPGESQELANIINTCIEDTQKTATIASNAQAIASQRF-DVVTINQQIAETLSSL-

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 : 2013 -134585 -66.86 -375.93 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -66.86 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.467

(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: