Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQLSSAQVRQMWLDFWATKGHSVEPSVSLVPVNDPTLLWINSGVATLKKYFDGTIIPE--NPRITNAQKAIRTNDIENVGKTARHHTMFEMLGNFSIGD-----YFRDEAITWAYELLTSPEWFDFPAEKLYMTYYPDDKDSYNRWIEVGVDPSHLIPIEDNFWEIGAGPSGPDTEIFFDRGEAFDPENIGLRLLAEDIENDRYIEIWNIVLSQFNADPA----VPRSEYKELPHKNIDTGAGLERLVAVIQGAKT---------------------NFETDLFMPIIREVEKLSGKVYDQDGDNMS--------------------------FKVIADHIRSLSFAIGDGALPGNEGRGYVLRRLLRRASMHGQ--KLGINEPFLYKLVPTVGKIMESYYPEVLEKRDFIEKIVKSEEESFARTLHSGQHFAQGIVADLKEKGQSVIAGQDVFKLYDTYGFPVELTEEIAEEAGMTVDREGFEAAMKEQQERARASAVKGGSMGMQNETLQNITVESVFNYNTSQLSSKLVAIVADNAEVGAVSEGTASLIFAETSFYAEMGGQVADYGQILDESGKIVATVTNVQKAPNGQALHTVEVLAPLALNQEYTLAIDSNRRHRVMKNHTATHLLHAALHNILGNHATQAGSLNEVEFLRFDFTHFQAVTAEELRAIEQQVNEKIWEALEVKTVETDIDTAKEMGAMALF--GEKYGKEVRVVTIGDYSIELCGGTHVDNTSEIGLFKIVKEEGIGSGTRRILAVTGKEAFEAYREQEDALKAIAATLKAPQVKEVPHKVEGLQEQLRQLQKENAELKEKAAAAAAGDIFKDVKEVNGHRYIASQVSVSDAGALRTFADNWKQKDYSDLLVLVAAIGDKVNVLVASKTKDLHAGNLVKELAPIIDGRGGGKPDMAMAGGSNQPKIQELLDAVAGKL 3WQZ Chain:A ((64-889)) -------EMREYYLNFFERRGHGRIERYPVVARWRTDIYLTIASIADFQPFVTSGVAPPPANP-LTISQPCIRLDDLDSVGRTGRHLTLFEMMAHHAFNYPGKEIYWKNETVAYCTELLN----------------------------ELGVKKEDIVYKEEPW--AGGGNAGPCLEAIVG----------GL-------------EVATLVFMNLEEHPEGDIEIKGARYRKMDNYIVDTGYGLERFVWASKGTPTVYDAIFPEVVDTIIDNSNVSFNREDERVRRIVAESSKLAGIMGELRGERLNQLRKSVADTVGVSVEELEGIVVPLEKVYSLADHTRCILFMLGDGLVPSNAGAGYLARLMIRRSLRLAEELELGLD---LYDLVEMHKKILGFEFDVPLST---VQEILELEKERYRTTVSKGTRLVERLVERKKK-----LEKDDLIELYDSHGIPVELAVGIAAEKGAEVEMPK-DIYAELAKRHSKAEKVQEKKITLQNEYPA-----------TEKLYYDDPTLLEFEAEVIGV-EGDF-VILNRSAFYPESGGQDNDVGYLIANGGKF--EVVDVLEA-DGVVLHVVKGAKP-EVGTKVKGVIDSDVRWRHMRHHSATHVLLYSLQKVLGNHVWQAGARKEFSKARLDVTHFRRPSEEEIKEIEMLANREILANKPIKWEWMDRIEAERKFGFRLYQGGVPPGRKIRVVQVGD-DVQACGGTHCRSTGEIGMLKILKVESIQDGVIRFEFAAGEAAIEAVEEMERLLREASSILRVEPAK-LPKTVERFFEEWKDQRKEIERLKSVIADLWADILMERAEEFDSMKVVAEVVD-ADMQALQKLAERLAEKGAVGCLM---AKGEGKVFVVTFSGQKYDARELLREIGRVAKGSGGGRKDVA------QGAVQQLLD------

General information: TITO was launched using: RESULT: Template: 3WQZ.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 : 3649 94882 26.00 124.19 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 26.00 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.328

(partial model without unconserved sides chains): PDB file : Tito_3WQZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WQZ-query.scw PDB file : Tito_Scwrl_3WQZ.pdb: