Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTMQYSCGKININIPDGYGDIKDIVFSAHIIVRYNNGHCGGIDPHIIGLCKKQIRRMSLYPILIIVSRDSKVIDDYKNLDIAYVDCTQCSNNFETALHVKNILKLLK-IQLIHCHGYSTNYFLYMLKKLDKNGFGKVKTVITCHGWV-EYNLKKKFLTYFDFWTYSMGDAFICVSETMKKRLESI-IKNKKIVAINNGINVSNSDLDVVGVQDFKKEFCIPNNKKIICYVGRLDPEKRPDRFLEFAEKLFLVREDVIFIMAGNG-----SMWAALKEKICHLKCRDNFRLLGEIYPATIVYQISDLLYIPSDT-EGIPMCVLESMSQGTSVLASNVGGLSEIIEHRVDGFLFEKEDVEGVCACANFLLNDSEYLKYIGENSKSKIRKHFSVQKMFVETMRVYDELLEKSSHG 4XSO Chain:A ((7-384)) ----------------------------MKILFLDQSGKPGGAELCLIDIAKPYRDR-----ALVGLFADGAFKTLLEQHHIPVEVFTNQPSLGQLAPLVAKVVQTAHEYDLIYANTQKALVVGAIASFIARR-----PLVYHLHDILSPEHFSQTNLRVAVNLANRFASLVIANSQASQTAFIQAGGRAELTKVIYNGFDINLYKTSPSDISKLRQQLGVAN-NFVVGHFSRLSPWKGQHILIDALAQC---PPQVTAILVGDALFGEQDYVKELHQQITRLGLENRVKFLGFRADIPQLMAACDLVAHTSTAPEPFGRVIVEAMLCGKPVVAAKAGGAMELVEHGVNGFLTTPGESQELANIINTCIEDTQKTATIASNAQAIASQRFDVVTINQQIAETLSSL-------

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 : 1991 -93828 -47.13 -264.30 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -47.13 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.522

(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: