Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MLGTVDAIDYDGDRLHKVVLRFPAVRSGE------------------------------------SEIVKEVWPCERIGQGSFGTVYRAVSSDYP--RLALKI-----STGKSTRLRQELDVLSRVCTKGRLLLPRFEFGALNKTADLIVIGMELCVPSTLHDLLLSTRITSEAEMLFMAHQAVQAVSYVHAEGCIHRDIKLQNFVFDLDGNLKLIDFGLACNSLKPPAGDVVAGTVSFMSPEMAHNALHKDRRVSVGVAADVWSLGIVLFSIFTQRNPYPAPETPAPAAGSTPGGAGAAGVTGRGDITHGAEGEKGNDLSQQHRMNERLLRRVAAGDWQWPVGVTVSQDLKQLVNSILVVNPEERPSVSTILENKLWNLRRRYPPAAVAAFLGVQDDFLLSHDEAHLMRAVEERSAGVAASLRNSRLHSPASASNEDNGETDAQHSSSGSARNGGLNTSGATTSPARSSLKVVQRCGEGGIDGAVTVQVYDVRASTRKRSKPIREISVVMAEETAKTRRSKSARRATGAVSAPSSRVVSRAASTEYSRRIAPPAGARLQSSAAHTCANSGDDEGEAEAEAVNRGTSTSQRHSRGMSPV--------RLQDALETAGSVAAGQRDSVGHPKALVEPSCATPPLLTSGKQQPLSEHMRPDIQRSGSVELLEDAEAPTEASAMPTSHKRAASSGKKRRDASLRQPSSLILKGSTRDLSADAPRSTTTAASTQASTSLLASRTTLPLSAVNPSPSSSRQASLRRQASASAAAVSSAQGCAGHRGSSPVMKRAQRVALELGLDVIWHDEADHRRALSAMLLIEHAWLLASFRLTIEEDQERYSITWLAEEQEKSAAHPHRFKEVMQVMSKKYQYGFVCDMCDYEFLPTGPGEKDLHFFHCPCGRDLCPDCYTAYQRQCTCSCCRAVHSNSCVLREHLLLTGGTQYYSGSRKTNAAARADAVRGSFQAAASLNEEAESGDEASAPPEPPRRRGRPPKQDKNRSAVKQKGSRAAKDSSRRRRGAQDTLDVSVDDAHEVEQINLPRISIAAMQQQEERSSNGSHRGGGTAAVGVAPRPQRPEDVEVKQRPVESVPEGPWRPFARFKKDRRDEVAQQPTPEERDALLNGEWIRHFYLFPQAEPERVAASGTWAEGEEEPYAFVYHAQPGRTGAIFLTSDFPMHSAVFSMLERQFFVVNQVDTVEGVDSTRATSLLKAKGHPELRIAFHALQDIVAYDTNMMKQQRTPGTVSVYQAPRSAYSCNGEPFLYVRWFRFNENRTLSAFLLSNGAVQVFVNNEYELRWFDESRKFLIRYNGVCELVDDGTFALAPGINHLLYDSFDA 2PZI Chain:A ((1-677)) GSHMLGGGLVEIPRAPDIDPLEALMTNPVVPESKRFCWNCGRPVGRSGASEGWCPYCGSPYSFLPQLNPGDIVAGQYEVKGCIAHGGLGWIYLALDRNVNGRPVVLKGLVHSGDAEAQAMAMAERQFLAEVVHPSIVQIFNFVEHTDRHGDPVGYIVMEYVGGQSLKQKL------PVAEAIAYLLEILPALSYLHSIGLVYNDLKPENIMLTEEQ-LKLIDLGAV---SRINSFGYLYGTPGFQAPEIVRT--------GPTVATDIYTVGRTLAALTLDLPTRNGRYVDGL----PEDDPVLKTYDSYGRLLRRAIDPDPRQRFTTAEEMSAQLTGVLREVVAQDTGVPRPGLSTIFSPSRSTFGVDLLVAHTDVYLDGQ-VHAEKLTANEIVTALSVPLVDPTDVAASVLQATVLSQPVQTLDSLRAARHGDFSESVELPLMEVRALLDLGDVAKATRKLDDLAERVGWRWRLVWYRAVAELLTGDYDSATKHFTEVLDTFPGELAPKLALAATAELAGNTDEHKFYQTVWSTNDGVISAAFGLARARSAEGDRVGAVRTLDE-----VPPTSRHFTTARLTSAVTLLVTEEQIRDAARRVEALPPTEPRVLQIRALVLGGALDWLKDNKASTNHILGFPFTSHGLRLGVEASLRSLARVAPTQRHRYTLVDMANKVRP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PZI.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 : 3126 70093 22.42 117.21 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 22.42 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.160

(partial model without unconserved sides chains): PDB file : Tito_2PZI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PZI-query.scw PDB file : Tito_Scwrl_2PZI.pdb: