Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLSIKNNETGVFAIGGLGEIGKNTYGVQFQDEIILIDAGIKFPEDDLLGIDYVIPDYSYIIQNLHKVKALVITHGHEDHIGGIPYLLKQ-ANIPIYAGPLALALITNKLDEHGLLRDAELHEINEDTIIRFRKTSVS-FFRTTHSIPDALGIVVKTPSGNIVATGDFKFD---FTPVGEPANLHKMARIGEEGVLCLLSDSTNAEIPTFTKSEKTIGHSILKIFSKIEGRIIFASFASNIFRLQQAADAAVATGRKIAVFGRSMENAIVNGQRLGYIKVPDGTFVDAHEINRLPANETMILCTGSQGEAMAALSRIANGTHRQIQIQPDDTVIFSSSPIPGNTTSVNHLINLLSEAGAEVIHGKINNIHTSGHGGQEEQKLMLRLMKPKYFIPVHGEFRMLKVHASLAQDVGVPAENCFIMENGDVLALTSDSARPAGHFVAGDVYIDGSGIGDIGNVVLRDRHLLSEEGLVLAVATVDIKKKEILAGPDILSRGFVYMRESGEMINEAQRILFHALRECLNGPDCSEYKLKEAMTGALQPFLFERTERHPMILPMVMTPDEE 4XWT Chain:A ((21-558)) -----------VIPLGGMGEIGKNITVFRYGDEIVVVDGGLAFPKAHQMGIDLIVPRIDYLLEHQDKIKGWILTHGHEDHIGGLPYIFARLPRVPVYGLPLTLALVREKLSEFGL-QDVDLREVTYGDEVRFGQSFVAEFFCMTHSIPDNAGYILKTPVGDVLHTGDFKIDPDVGTGAGIVSDLERVEQAGKDGVLLLISDSTNAERPGHTPSEAEIARNLEEIIKGCRGRVFLTTFASQVYRIQNILDLAHRQGRRVVMEGRSMIKYAQAAQATGHMNPPE-PFLTSEEVGELQDQQVLFVCTGSQGQPMAVLGRLAFGTHAKIALRRGDTVILSSNPIPGNEDAVNLIVNRLYEIGVDVVYPPTYRVHASGHASQEELATILNLTRPKFFLPWHGEPRHQINHAKLAQTLPRPPKRTLIAKNGDIVNLGPDEFRVSGTVAAGAVYVDGLGVGDVNDDVLLDRVNLSQEGLLILTAVLHPTPHV-----EVVARGFA--RPNRDLELQIRRVALEAVEQGLREKKRLE-DVRDDMYGAVRRFTRKATGRNPVLIPMIV-----

General information: TITO was launched using: RESULT: Template: 4XWT.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 : 3097 -1913 -0.62 -3.59 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -0.62 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.557

(partial model without unconserved sides chains): PDB file : Tito_4XWT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XWT-query.scw PDB file : Tito_Scwrl_4XWT.pdb: