Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQDSIEQYMQKVGQQARDASRVLTSASTSLKNHALSAIYTALENNQAAILAANQIDMEKGRSNQLDSALLDRLELTPARFKGMLQGLKDVIALVD-PIGEITDLAYRPTGIQIGKMRVPLGVVGMIYESR-P-NVTLEAASLAIKSGNAIILRGGSEALESNKAIAEAVKHGLKVAGLPEHSVQVIETSDRAAVGHLITMAEYVDVIVPRGGKSLIERVTNE-ARIPVIKHLDGNCHVFVEAQADLQKALPITLNAKTHR-YGVCNAMETLLVDEKIAEVFLPHIAELYAEKQVELRGCPE-----------------THRILGT-----------------TVKP------ATEEDWYTEYLGPILAVKVVSGIDEAIDHINKYGSHHTDAIVTENYTLARQFLARVDSSSVVVNASTRFAD-GFEYGLGAEIGISTDKIHARGPVGLEGLTSQKWIVLGDGQIRQ 3PQA Chain:B ((29-465)) -PALSREEAKEAIDTAEKYKEVMKNLPITKRYNILMNIAKQIKEKKEELAKILAIDAGKPI----KQARV-E-------VERSIGTFKLAAFYVKEHRDEVIP----SDDRLIFTRREPVGIVGAITPFNFPLNLSAHKIAPAIATGNVIVHHPSSKAPLVCIELAKIIENALKKYNVPLGVYNLLTG-AGEVVGDEIVVNEKVNMISFTGSSKVGELITKKAGFKKIALELGGVNPNIVLKDADLNKAVNALIKGSFIYAGQVCISVGMILVDESIADKFIEMFVNKAKVLNV---GNPLDEKTDVGPLISVEHAEWVEKVVEKAIDEGGKLLLGGKRDKALFYPTILEVDRDNILCKTETFAPVIPIIRT-NEEEMIDIANSTEYGLHSAIFTNDINKSLKFAENLEFGGVVINDSSLFRQDNMPFGGVKKSGLG----REGVKYAMEEMSNIKTIIISKA----

General information: TITO was launched using: RESULT: Template: 3PQA.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 : 2206 -18637 -8.45 -47.66 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -8.45 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_3PQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PQA-query.scw PDB file : Tito_Scwrl_3PQA.pdb: