Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAIEKRNSLFNSLTQAVFDKNMANFWLQKINPLWSVQHGLVQIVKKEFVAHDTVSLTLKCNRLVKMGA--AGQHHPVIVEIAGRRYERTYSLTQIDAEHLR--LTVKKVADGIVSN-WFIAESKIGDVFELGQPYGDMQQNIQTPKLIMLAAGSGITPMLSLITAIKQSQQLEKTQVQLLYWVKQRSDAAFTEYFEQVAEQNPNFSYQVFYTQETPNDERLNAEHLALVDGIENST----VYACGPSGFISTVEQLFEKAP--TVLTEAFSLINESSADDIGYVNVTLTQSNKVIAIPKGQSILVSLEHEGLKPTHGCRMGICNKCVCSKTQGSTRNLLNGSQNTEPSQLLKICVNSAQS-DLVIDL 2PIA Chain:A ((11-321)) -----------------------------------------LKIASKEKIARDIWSFELTDPQGAPLPPFEAGANLTVAVPNGSRR---TYSLCNDSQERNRYVIAVKRDSNGRGGSISFIDDTSEGDAVEVSLPRNEFPLDKRAKSFILVAGGIGITPMLSMARQLRA----EGLRSFRLYYLTR--DPEGTAFFDELTSDEWRSDVKIHHDHGDPT------KAFDFWSVFEKSKPAQHVYCCGPQALMDTVRDMTGHWPSGTVHFESFGATNTNARENTPFT-VRLSRSGTSFEIPANRSILEVLRDANVRVPSSCESGTCGSCKTALCSGEADHRDMVLRDDEKGTQIMVCVSRAKSAELVLDL

General information: TITO was launched using: RESULT: Template: 2PIA.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 : 1541 40867 26.52 136.68 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 26.52 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_2PIA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PIA-query.scw PDB file : Tito_Scwrl_2PIA.pdb: