Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFFVFSERRSISWHESVKLSLGVLAICVMSLAKLINELNAQQKKAATTMAQNCLVLAGAGCGKTKTIVARAAYLVDQ---GLPANQIQILTFTRRAASEIVARVEQHVGA----------------QAKGLRASTFHTFCMYLLRRNPQAFGL-TQFSIIDRDDQLLMFRLLRGKDKD-N--------------------------------------VLP--KAAELCDLY--------------SY----A-------RNTQ-----------------------------S-------------------------KLSEALL-----------K----QLP----------------------EAYEYKSQIAELMKTYEQRKRERNFLDYDDILSIVDVHLQNS--------EVLTNWVAGFCQALLVDEMQDTNPLQWALLQPLI-G---KVKLFCVGDDAQSIYGFRGADFENIHSFKERIP-----DAVIHTLDLNYRSTQEILDLSNWLLAHSPIDYQK-----Q-----LQAH-R-GKGQK-------PQLHLFGNEFEEANWIAQDLIERHQ-------------QGANWYDHMVLVRSGYSARYLEGAFIAAEIPYRFIGGVKLLESAHVKDVLSLLRIVSNPQDDLAWMRFLTLWD-GIGDVGASKLAQELMSICEVEERCQRLERHG----KVP--LQ--AILILKQLDV-LQQHVEASIG--LALDALSEQLEQNYKTKDWSRRVRDFDLVKQLARK-----HASLGEFLEEYVLEPISI----SEIEKAGDDDLVTLITIHSAKGAEQKVCYVPHVSPNQYPYARAQG-----------------------------------DFDEVEEERRVLYVALTRAENELILTKQNLNTWSQDTYDEQGRKIESYFLNDLPAHLVQAKIHRQVPQPFAKKQWNTSRTVNLGFGIDLD 4CEJ Chain:A ((10-922)) -------------------------------------TWTDDQWNAIVSTGQDILVAAAAGSGKTAVLVERMIRKITAEENPIDVDRLLVVTFTNASAAEMKHRIAEALEKELVQRPGSLHIRRQLSLLNRASISTLHSFCLQVLKKYYYLIDLDPGFRIADQTEGELIGDEVLDELFEDEYAKGEKAFFELVDRYTTDRHDLDLQFLVKQVYEYSRSHPNPEAWLESFVHLYDVSEKSAIEELPFYQYVKEDIAMVLNGAKEKLLRALELTKAPGGPAPRADNFLDDLAQIDELIQHQDDFSELYKRVPAVSFKRAKAVKGDEFDPALLDEATDLRNGAKKLLEKLKTDYFTRSPEQHLKSLAEMKPVIETLVQLVISYGKRFEAAKQEKSIIDFSDLEHYCLAILTAENDKGEREPSEAARFYQEQFHEVLVDEYQDTNLVQESILQLVTSGPEETGNLFMVGDVKQSIYRFRLAEPLLFLSKYKRFTESGEGTGRKIDLNKNFRSRADILDSTNFLFKQLMGGKIGEVDYDEQAELKLGAAYPDNDETETELLLID----ELETVQFEAKAIAKEIRKLISSPFKVYDGKKKTHRNIQYRDIVILLRSMPWAPQIMEELRAQGIPVYANLTSGYFEAVEVAVALSVLKVIDNPYQDIPLASVLRSPIVGADENELSLIRLEN-KKAPYYEAMKDYLAAGDRSDELYQKLNTFYGHLQKWRAFSKNHSVSELIWEVYRDTKYMDYVGGM---PGGKQRQANLRVLYDRARQYESTAFRGLFRFLRFIERMQERGDDLGTARGLSEQEDVVRLMTIHSSKGLEFPVVFVAGLGRN-FNMMDLNKSYLLDKELGFGTKYIHPQLRISYPTLPLIAMKKKMRRELLSEELRVLYVALTRAKEKLFLIGSCKDHQ---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CEJ.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 : 2359 22095 9.37 37.77 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 9.37 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_4CEJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CEJ-query.scw PDB file : Tito_Scwrl_4CEJ.pdb: