Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQLSSAQVRQMFLDFFQSKGH-TIEPSASLIPVNDPTLLWINSGVATLKKYFDGSVVP--ENPRITNAQKSIRTNDIENVGKTARHHTMFEMLGNFSIGD-----YFKNEAIHWAWEFLTDPKWMAFDPEKLYVTVYPKDTEAKRIWHEEVGLPLDHIIDVEDNFWDIG-AGPCGPDTEIFYDRGEAYNDLAEDDPENYPGGENERYLEIWNLVFSEFNHKPDNTFE-------PLPHKNIDTGMGLERMV-------------------SIVQDASTNF--ETDLFMPIIHAVEKLS-----------KQVKYGENPVTDISYK-------------VIADHIRALSFAIGDGALPSNEGRGYVLRRLLRRAVMHGKKL--GIEQAFLYRLVPVVGEIMVSYYPEVLQQKEFIEKVIRTEEERFNETINEGLEILNQVIQEVKNENGTTLAGKDIFKLYDTYGFPVELTEEVAEDEGLKVDHAGFEKEMDAQRERARSARSTEKSMGVQSALLTDIKVESKFIGYTEQESDSQLLVIVKGESLLNEVAEGEAQMIFDQTPFYAEMGGQVADQGWIMNEVGEIVAVVTDVQKAPNGQFMHTVEVKAPMSEGQTYHLLIDQSMRNRIIKNHTATHLLHKALKEVLGEHANQAGSLVAPGHLRFDFTHFGQITSDELAEMERIVNEKIWEAIPVETIETDIDTAKNMGAMALF--GEKYGHDVRVVNIGGWSIELCGGTHVANTENIGIFKIVSESGIGAGVRRIEAVTSKEAYELLEEEEKQLKQVATIVKSPQLKEVVSKAEQLQQQVRELQKENEQLASKLANQQAGDVFKDPETINGKTIIAAQVKVKDMNQLRQLADQWKQKNISDILVLANEQEGKVSLLAAMTKESNEAGLKAGDLIKAIAPKVGGGGGGRPDMAQAGGKNPAGIPDALKAAKEWVAQQ 3WQZ Chain:A ((64-883)) -------EMREYYLNFFERRGHGRIERYPVVARWRTDIYLTIAS-IADFQPFVTSGVAPPPANP-LTISQPCIRLDDLDSVGRTGRHLTLFEMMAHHAFNYPGKEIYWKNETVAYCTELLN-----------------------------ELGVKKEDIVYKEEPWAGGGNAGPC---------------------LEAIVGG-----LEVATLVFMNLEEHPEGDIEIKGARYRKMDNYIVDTGYGLERFVWASKGTPTVYDAIFPEVVDTIIDNSNVSFNREDERVRRIVAESSKLAGIMGELRGERLNQLRKSVADTVGVSVEELEGIVVPLEKVYSLADHTRCILFMLGDGLVPSNAGAGYLARLMIRRSLRLAEELELGLD---LYDLVEMHKKILGFEFDVPLST---VQEILELEKERYRTTVSKGTRLVERLVERKKK-----LEKDDLIELYDSHGIPVELAVGIAAEKGAEV-----EMPKDIYAELAKRHSKAEK---VQEKKIT---LQNEYPATEKLYYDDPTLLEFEAEVI---GVEGDF-VILNRSAFYPESGGQDNDVGYLIANGGKFE--VVDVLEA-DGVVLHVVKGAKP-EVGTKVKGVIDSDVRWRHMRHHSATHVLLYSLQKVLGNHVWQAGARKEFSKARLDVTHFRRPSEEEIKEIEMLANREILANKPIKWEWMDRIEAERKFGFRLYQGGVPPGRKIRVVQVGD-DVQACGGTHCRSTGEIGMLKILKVESIQDGVIRFEFAAGEAAIEAVEEMERLLREASSILRVEPAK-LPKTVERFFEEWKDQRKEIERLKSVIADLWADILMERAEEFDSMKVVAEVVDA-DMQALQKLAERLAEKGA--VGCLMAKGEGKVFVVTFSGQKYD-----ARELLREIGRVAKGSGGGRKDVAQGA---------------------

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 : 3609 143047 39.64 189.47 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 39.64 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.371

(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: