Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDQYQAFTQSPIGKFVVKNLGLPSPVVLERFESAQPVVKGAVLVGAAPSSVLSGAIAQVLSNIHADSYVGNNVALQQEAAKVGLNLRPFNAGDKESKFKAVVFDASGIQNSEQLNELYKFFNPIARQVATSGRVIVIGTTPETAKTIKQAIAQRALEGFIKSVGKEFKKGITAQVVYVD---EGAAANLESTLRFLLSPRSAYVSGQVIRVSKADVVD-VDWAKPLAGKTALVTGASRGIGEAIAHVLARDGAHVICLDVPQQQADLDRVAADIGGSTLAIDITAADAGEKIKAAAAKQGG--LDIIVHNAGITRDKTLANMKPELWDLVININLSAAERINDYLLENDGLNANGRIVCVSSISGIAGNLGQTNYAASKAGVIGLVKFTAPILK-NGITINAVAPGFIETQMTAAIPFAIREAGRRMNSMQQGGLPVDVAETIAWFASTASTGVNGNVVRVCGQSLLGA 3Q6I Chain:C ((21-446)) -----------------------PQPETLRRYRAGEPPLTGSLLIGGA---------GRVVEPLRA--------ALEKDYDLVGNN-------RWADSFGGLVFDATGITEPAGLKGLHEFFTPVLRNLGRCGRVVVVGGTPEAAASTNERIAQRALEGFTRSLGKELRRGATTALVYLSPDAKPAATGLESTMRFLLSAKSAYVDGQVFSVGADDSTPPADWEKPLDGKVAIVTGAARGIGATIAEVFARDGAHVVAIDVESAAENLAETASKVGGTALWLDVTADDAVDKISEHLRDHHGGKADILVNNAGITRDKLLANMDDARWDAVLAVNLLAPLRLTEGLVGNGSIGEGGRVIGLSSIAGIAGNRGQTNYATTKAGMIGITQALAPGLAAKGITINAVAPGFIE-----AIPLATREVGRRLNSLLQGGQPVDVAEAIAYFASPASNAVTGNVIRVCGQAMIGA

General information: TITO was launched using: RESULT: Template: 3Q6I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2479 -120400 -48.57 -292.94 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.83 3D Compatibility (PKB) : -48.57 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_3Q6I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q6I-query.scw PDB file : Tito_Scwrl_3Q6I.pdb: