Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPE--NPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGD-----YFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDG-------TYTPLPKKNIDTGMGLERMVSVIQNVPTNFDT--------------------DLFVPIIKATES----ISGETYG------KDNVKDTA----------------FKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDH-EGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQ---IILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALF--GEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNIS--AGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL 3WQY Chain:A ((64-894)) -------EMREYYLNFFERRGHGRIERYPVVARWRTDIYLTIASIADFQPFVTSGVAPPPANPLTI-SQPCIRLDDLDSVGRTGRHLTLFEMMAHHAFNYPGKEIYWKNETVAYCTELLNE---LGVKKEDIVYKEEP--------WA--------------------GGGNAGPCLEAIV-----------------GG-----LEVATLVFMNLEEHPEGDIEIKGARYRKMDNYIVDTGYGLERFVWASKGTPTVYDAIFPEVVDTIIDNSNVSFNREDERVRRIVAESSKLAGIMGELRGERLNQLRKSVADTVGVSVEELEGIVVPLEKVYSLADHTRCILFMLGDGLVPSNAGAGYLARLMIRRSLRLAEELELGLD-LYDLVEMHKKILGF---EFDVPLSTVQEILELEKERYRTTVSKGTRLVERLVERKKK-----LEKDDLIELYDSHGIPVELAVGIAAEKGAEVEMPKDIYAELAKRHSKAEKVQE------------KKITLQNEYPATEKLYYD--------DPTLLEFEAEVIGVEGDFVILNRSAFYPESGGQDNDVGYLIANGGKFEVVDVLEA-DGVVLH--VVKGAKPEVGTKVKGVIDSDVRWRHMRHHSATHVLLYSLQKVLGNHVWQAGARKEFSKARLDVTHFRRPSEEEIKEIEMLANREILANKPIKWEWMDRIEAERKFGFRLYQGGVPPGRKIRVVQVGD-DVQACGGTHCRSTGEIGMLKILKVESIQDGVIRFEFAAGEAAIEAVEEMERLLREASSILRVEPAKLPKTVERFFEEWKDQRKEIERLKSVIADLWADILMERAEEFDSMKVVAEVVDA-DMQALQKLAERLAEK--GAVGCLMAKGEGKVFVVTFSGQKYD-------ARELLREIGRVAKGSGGGRKDVAQGAVQQLLDREEML-----------

General information: TITO was launched using: RESULT: Template: 3WQY.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 : 3653 98964 27.09 129.70 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 27.09 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_3WQY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WQY-query.scw PDB file : Tito_Scwrl_3WQY.pdb: