Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKKLEALFQEKVQGKVILVTGASSGIGLTISNKLADAGAHVLLVARTQETLEEVKADIESRGGQASI-FPCDLNDMEMIDQVSKEILASVDHIDILINNAGRSIRRAVHESYDRFHDFERTMQLNYFGAVRLVLNILPHMIQRKDGQVINISSIGVLANATRFSAYVASKAALDAFSRCLSAEVHAHKIAITSIYMPLVRTPMIAPTKIYKYVPTLSPEQAADLIAY--------AIVKR---PKRIATNLGRLAS--MTYSVAPGINNMFMSIGFRLFPSSDAAKGKKAEKLNWVQKAYARIFPGEHW 3AI2 Chain:G ((5-250)) ------------ISGKVAVITGSSSGIGLAIAEGFAKEGAHIVLVARQVDRLHEAARSLKEKFGVRVLEVAVDVATPEGVDAVVESVRSSFGGADILVNNAGTGSNETIMEAADEKWQF--YWELHVMAAVRLARGLVPGMRARGGGAIIHNASICAVQPLWYEPIYNVTKAALMMFSKTLATEVIKDNIRVNCINPGLILTP-----DWIKTAKELTKDNGGDWKGYLQSVADEHAPIKRFASPEELANFFVFLCSERATYSVG---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AI2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1173 -105097 -89.60 -453.00 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain G : 0.73 3D Compatibility (PKB) : -89.60 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_3AI2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AI2-query.scw PDB file : Tito_Scwrl_3AI2.pdb: