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 4XSU Chain:A ((15-384)) ------------------------------------SGKPGGAELCLIDIAKPYRDR---ALVGLFADG--AFKTLLEQHHIPVEVFTNQPI---FGSLGQLAPLVAKVVQTAHEYDLIYANTQKALVVGAIASF-----IARRPLVYHLHDILSPEHFSQTNLRVAVNLANRFASLVIANSQASQTAFIQAGGRAELTKVIYNGFDINLYKTSPSDISKLRQQLGV-ANNFVVGHFSRLSPWKGQHILIDALAQCP---PQVTAILVGDALFGEQDYVKELHQQITRLGLENRVKFLGFRADIPQLMAACDLVAHTSTAPEPFGRVIVEAMLCGKPVVAAKAGGAMELVEHGVNGFLTTPGESQELANIINTCIEDTQKTATIASNAQAIASQRFDVVTINQQIAETLSSL-------

General information: TITO was launched using: RESULT: Template: 4XSU.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 : 1871 -4641 -2.48 -13.49 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -2.48 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_4XSU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XSU-query.scw PDB file : Tito_Scwrl_4XSU.pdb: