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 3AV7 Chain:A ((76-443)) ------------------------------------------------------------------------------------------------------------------------SDIISLAGGLPNPKTFPKEIIRDILVEIMEKYADKALQYGTTKGFTPLRETLMKWL-GKRYGISQDNDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPEIRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAHRDVKNTMRLNFTYVDEDKIMEGIKRLAETIK-----

General information: TITO was launched using: RESULT: Template: 3AV7.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 : 2047 -209616 -102.40 -585.52 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -102.40 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_3AV7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AV7-query.scw PDB file : Tito_Scwrl_3AV7.pdb: