Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLSQWQPSRKSDVPLHRQIEQYMKDKILHGEWAVGTKIPSQRTLADMFQVNRSTVTAAIDELTSQGLLEGRKGGGTKVVNSTWSVLTAEPPLDWSDYVRSGIHRANSSIIQAINQNEPRADIIRLGTGELSPDLVPADTIGRMFQQINPGVL--SLGYEQPKGNRQLREAVADHLKGKKIHVS-PSAILIVSGALQALQLISIGLLKRDSVILTEKPSYLQSLHVFQSAGMRLRGLPMDDEGVKAGLVSSNRKQYGGQ-----LLYTIPSFHNPTGTVMSEQRRKEIISLSKKEQMPIIEDDAYGDLWFEEKPPQPLKAMDHEGNILYLGAFSKTVSPGLRIGWLAGPEPVIERLADIKMQTDYGSSGLSQWAAAEWLSQGYYEEHLTWVRRKLKERRDAAVHFLERYAGDIATWRIPAGGFYIWVTFHKNLPVSRFFYELLKRQVLVNPG-YIYDGED-RNSIRLSYSYASLGDLETGIKAAAETARRLMMS 3AOV Chain:A ((76-443)) ------------------------------------------------------------------------------------------------------------------------SDIISLAGGLPNPKTFPKEIIRDILVEIMEKYADKALQYGTTKGFTPLRETLMKWL-GKRYGISQDNDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPEIRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAHRDVKNTMRLNFTYVDEDKIMEGIKRLAETIK-----

General information: TITO was launched using: RESULT: Template: 3AOV.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 : 2061 -205973 -99.94 -575.34 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -99.94 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_3AOV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AOV-query.scw PDB file : Tito_Scwrl_3AOV.pdb: