Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQLSSAQVRQMWLDFWATKGHSVEPSVSLVPVNDPTLLWINSGVATLKKYFDG-TIIPENPRITNAQKAIRTNDIENVGKTARHHTMFEMLGNFSIGD-----YFRDEAITWAYELLTSPEWFDFPAEKLYMTYYPDDKDSYNRWIEVGVDPSHLIPIEDNFWEIGAGPSGPDTEIFFDRGEAFDPENIGLRLLAEDIENDRYIEIWNIVLSQFNADPA------VPRSEYKELPHKNIDTGAGLERLVAVIQGAKTNFETDLFMPIIREVEKLSGKVYDQ------------------------------------------------DGDNMSFKVIADHIRSLSFAIGDGALPGNEGRGYVLRRLLRRASMHGQKLGINEPFLYKLVPTVGKIMESYYPEVLEKRDFIEKIVKSEEESFARTLHSGQHFAQGIVADLKEKGQSVIAGQDVFKLYDTYGFPVELTEEIAEEAGMTVDREG-FEAAMKEQQERARASAVKGGSMGMQNETLQNITVESVFNYNTS---QLSSKLVAIVADNAEVGAVSEGTASLIFAETSFYAEMGGQVADYGQILDESGKIVATVTNVQKAPNGQALHTVEVLAPLALNQEYTLAIDSNRRHRVMKNHTATHLLHAALHNILGNHATQAGSLNEVEFLRFDFTHFQAVTAEELRAIEQQVNEKIWEALEVKTVETDIDTAKEM-GAMALFGEKYG-KEVRVVTIGDYSIELCGGTHVDNTSEIGLFKIVKEEGIGSGTRRILAVTGKEAFEAYREQEDALKAIAATLKAPQVKEVPHKVEGLQEQLRQLQKENAELKEKAAAAAAGDIFKDVKEVNGHRYIASQVSVSDAGALRTFADNWKQKDYSDLLVLVAAIGDKVNVLVASKTKDLHAGNLVKELAPIIDGRGGGKPDMAMAGGSNQPKIQELLDAVAGKL 2ZTG Chain:A ((58-739)) -KPFELDEMREYYLNFFERRGHGRIERYPVVARWRTDIYLTIASIADFQPFVTSGVAPPPANPLTISQPCIRLDDLDSVGRTGRHLTLFEMMAHHAFNYPGKEIYWKNETVAYCTELLN---ELGVKKEDIV--Y------------------------KEEPWA-GGGNAGPCLEAIVG-----------------------GLEVATLVFMNLEEHPEGDIEIKGA--RYRKMDNYIVDTGYGLERFVWASKGTPTVYDA-IFPEVVDTIIDNSNVSFNREDERVRRIVAESSKLAGIMGELRGERLNQLRKSVADTVGVSVEELEGIVVPLEKVYSLADHTRCILFMLGDGLVPSNAGAGYLARLMIRRSLRLAEELELG-LDLYDLVEMHKKILGF---EFDVPLSTVQEILELEKERYRTTVSKGTRLVERLVER-----KKKLEKDDLIELYDSHGIPVELAVGIAAEKGAEVEMPKDIYAELAKRHSKAEKVQEKK------ITLQNEYPATEKLYYDDPTLLEFEAEVIGVE------------GDFVILNRSAFYPESGGQDNDVGYLIANG--GKFEVVDVLEAD-GVVLHVVKG-AKPEVGTKVKGVIDSDVRWRHMRHHSATHVLLYSLQKVLGNHVWQAGARKEFSKARLDVTHFRRPSEEEIKEIEMLANREILANKPIKWEWMDRIEAERKFGFRLYQGGVPPGRKIRVVQVG-DDVQACGGTHCRSTGEIGMLKILKVESIQDGVIRFEFAAGEA-----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ZTG.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 : 3155 55511 17.59 90.12 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 17.59 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_2ZTG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZTG-query.scw PDB file : Tito_Scwrl_2ZTG.pdb: