Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTEQPNWLMQRAQL-TPERIALIYEDQ--TVTFAELFAASKRMAEQLAAHSVRKGDTAAILLQNRAEMVYAVHACFLLGVKAVLLNTKLSTHERLFQLEDSGS--------GFLLTDSSFEKKEYEHIVQTIDVDELMKEAAEEIEIEAYMQMDA-TATLMYTSGTTGKPKG--VQQTFGNHYFSAVSSALNLGITEQDRWLIALPLFHISGLSA-LFKSVIYGMTVVLHQRFSVSDVLHSINRHEVTMISAVQTMLASLLEETNRCP-----ESIRCILLGGGPAPLPLLEECREKGFP--VFQSYGMTETCSQIVTLSPEFSMEKLGSAGKPLFSCEIKIERDG----QVCEPYEHGEIMVKGPN-VMKSYFNRESANEASFQNGWLKTGDLGYLDNEGFLYVLDRRSDLIISGGENIYPAEVESVLLSHPAVAEAGVSGAEDKKWGKVPHAYLV--LHKPVSAGELTDYCK-ERLAKYKIPAKFFVLDRLPRNASNKLLRNQLKDARKGELL 3CW8 Chain:X ((5-498)) ------NEMLRRAATRAPDHCALAVPARGLRLTHAELRARVEAVAARLHADGLRPQQRVAVVAPNSADVVIAILALHRLGAVPALLNPRLKSAE-LAELIKRGEMTAAVIAVGRQVADAIFQSGSGARIIFLGDLVRDGEPYSYGPPIEDPQREPAQPAFIFYTSGTTGLPKAAIIPQRAAESRVLFMSTQVGLRHGRHNVVLGLMPLYHVVGFFAVLVAALALDGTYVVIEEFRPVDALQLVQQEQVTSLFATPTHLDALAAAAAHAGSSLKLDSLRHVTFAGATMPDAVLETVHQH-LPGEKVNIYGTTEAMNSLYMRQP-----KTGTEMAPGFFSEVRIVRIGGGVDEIVANGEEGELIVAASDSAFVGYLNQPEATAEKLQDGWYRTSDVAVWTPEGTVRILGRVDDMIISGGENIHPSEIERVLGTAPGVTEVVVIGLADQ-WGQSVTACVVPRLGETLSADALDTFCRSSELADFKRPKRYFILDQLPKNALNKVLRRQL---------

General information: TITO was launched using: RESULT: Template: 3CW8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 2654 -21199 -7.99 -45.79 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain X : 0.76 3D Compatibility (PKB) : -7.99 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_3CW8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CW8-query.scw PDB file : Tito_Scwrl_3CW8.pdb: