Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTMQYSCGKININIPDGYGDIKDIVFSAHIIVRYNNGHCGGIDPHIIGLCKKQIRRMSLYPILIIVSRDSKVIDDYK--NLDIAYVDCTQCSNNF---ETALHVKNILK-LLKIQLIHCHGYSTNYFLYMLKKLDKNGFGKVKTVITCHGWVEYNL-KKKFLTYFDFWTYSMGDAFICVSETMKKRLESIIK-NKKIVAINNGINVSNSDLDVVGVQDFKKEFCIPNNKKIICYVGRLDPEKRPDRFLEFAEKLFLVREDVIFIMAGNGS-----MWAALKEKICHLKCRDNFRLLGEIYPATIVYQISDLLYIPSD-TEGIPMCVLESMSQGTSVLASNVGGLSEIIEHRVDGFLFEKEDVEGVCACANFLLNDSEYLKYIGENSKSKIRKHFSVQKMFVETMRVYDELLEKSSHG 4XSO Chain:B ((15-384)) ------------------------------------SGKPGGAELCLIDIAKPYRDR---ALVGLFADG--AFKTLLEQHHIPVEVFTNQP-----SLGQLAPLVAKVVQTAHEYDLIYANTQKALVVGAIASF-----IARRPLVYHLHDILSPEHFSQTNLRVAVNLANRFASLVIANSQASQTAFIQAGGRAELTKVIYNGFDINLYKTSPSDISKLRQQLGV-ANNFVVGHFSRLSPWKGQHILIDALAQCP---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 B - contact count / total energy / energy per contact / energy per residue : 1818 -47628 -26.20 -139.26 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -26.20 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.532

(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: