Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQSLTLIPTLREVPADAEAKSHQLLLRAGFIRQNTSGVYSYMPLAYKVIQNIQQIVREEMEKIDAVEMLMPALQQAETWQESGRWYTYGPELMRLKDRHGREFALGATHEEVITSLVRDE---VKSYKRLPLTLYQIQSKFRDEKRP-RFGLLRGREFIMKDAYSFHASAESLDETYQ---KMYEAYSNIFARCGIN---VRPVIADSGAMGGKDTHEFMALSAIGEDTIAYSDESQYAANIEMAEVLHQEVPSDEEPKALEKVHTPNVKTIEELTAFLQVSAEACIKSVLFKADDRFVLVLVRGDHEVNDIKVKNLLHAEVVELATHEEVIQQLGTEPGFVGPVGIHQDVEVYADQAVKAMVNAVAGANEGDHHYK---NVNVNRDAQIKEFADLRFIKEGDPSPDGKGTIRFAEGIEVGQVFKLGTRYSEAMNATYLDE-NGRAQPMLMGC--YGIGVSRTLSAIAEQHHDEKGLIWPKSVAPYDLHILALNMKN---DGQRELAEKLYADLKAEGYEVLYDDRAE-RAGVKFADSD-LIGLPIRITVGKRA-DEGIVEVKIRQTGEST----EISVDELSAFISKQ 3A32 Chain:A ((37-440)) ----------------------------------TGAGVPLFSLGGGPIRYALAEVLAKFHARRGYYVVETPIIASTELFKVSGHIEFYRNNMYLFDI-EGHEFAVKPMNCPYHILLFLNEVAKHRSKLPLPFKVFEFGRVHRYEPSGSIYGLLRVRGFTQDDAHIIVPGGRVI-DVVYDVFEEMKLVLERLFKLGVSSETFK-VRLSMS--DKS---------L-IGKEFMGS-KEEW----EGAEE-----------------------------------------------------------------ALREAASRINEKY--GIDI-VELEGEAAFYGPK-----L---------------------DFIMMVEESG-VSKEWQ------------------M-GTIQ--------FDFNLPRRF----RLYDVVREEFGIEEVYIIHRALLGSIERFLGVYLEHRRG----RMPFTLAPIQFAVIAVKTGGEVDREIEDLASSIAKGLLDKGFRVAVKGSSKTGLSSDVRHIESTAKPAVNVFIGAKEVREKVLDVRVFDLESMKRRRLAIAYGDAADAVE--

General information: TITO was launched using: RESULT: Template: 3A32.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 : 1832 -179763 -98.12 -475.56 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -98.12 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_3A32.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A32-query.scw PDB file : Tito_Scwrl_3A32.pdb: