Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELWRQCTHWLIQCRVLPPSHRVTWEGAQVCELAQALRDGVLLCQLLNNLLPQAINLREVNLRPQMSQFLCLKNIRTFLSTCCEKFGLKRSELFEAFDLFDVQDFGKVIYTLSALSWTPIAQNKGIMPFPTEDSALNDEDIYSGLSDQIDDTAEEDEDLYDCVENEEAEGDEIYEDLMRLESVPTPPKMTEYDKRCCCLREIQQTEEKYTDTLGSIQQHFMKPLQ--RFLKPQDMETIFVNIEELFSVHTHFLKELKDALA-GPGATTLYQVFIKYKER------FLVYGRYCSQVESASKHLDQVATAREDVQMKLEECSQRANNGRFTLRDLLMVPMQRVLKYHLLLQELVKHTQD-ATEKENLRLALDAMRDLAQCVNEVKRDNETLRQITNFQLSIENLD------------QSLA-NYGRPKIDGELKITSVERRSKTDRYAFLLDKALLICKRRG----------DSYDLKASVNLHSFQVRDDSSGERDNKKWSHMFLLIE---DQGAQGYELFFKTRELKKKWMEQFEMAISNIYPENATANGHDFQMFSFEETTSCKACQMLLRGTFYQGYRCYRCRAPAHKECLGRVPPCGRHGQDFAGTMKKDKLHRRAQDKKRNELGLPKMEVFQEYYGIPPPPGAFGPFLRLNPGDIVELTKAEAEHNWWEGRNTATNEVGWFPCNRVHPYVHGPPQDLSVHLWYAGPMERAGAEGILTNRSDGTYLVRQRVKDTAEFAISIKYNVEVKHIKIMTSEGLYRITEKKAFRGLLELVEFYQQNSLKDCFKSLDTTLQFPYKEPERRAISKPPAGSTKYFGTAKARYDFCARDRSELSLKEGDIIKILNKKGQQGWWRGEIYGRIGWFPSNYVEEDYSEYC 1XCG Chain:E ((728-1080)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LTQREIDRQEVINELFVTEASHLRTLRVLDLIFYQRMKKENLMPREELARLFPNLPELIEIHNSWCEAMKKLREEGPIIKEISDLMLARFDGPAREELQQVAAQFCSYQSIALELIKTKQRKESRFQLFMQEAESHPQCRRLQLRDLIISEMQRLTKYPLLLESIIKHTEGGTSEHEKLCRARDQCREILKYVNEAVKQTENRHRLEGYQKRLDATALERASNPLAAEFKSLDLTTRKMIHEGPLTWRISK-DKTLDLHVLLLEDLLVLLQKQDEKLLLKCHSK---TFSPVLKLNAVLIRSVATD-------KRAFFIICTSKLGPPQIYELVALTSSDKNTWMELLEEAVRN----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XCG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1133 32445 28.64 105.68 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain E : 0.61 3D Compatibility (PKB) : 28.64 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_1XCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XCG-query.scw PDB file : Tito_Scwrl_1XCG.pdb: