Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRFEIRDDFYLDGKSFKILSGAIHYFRIPPEDWYHSLYNLKALGFNTVETYVAWNLHEPREGEFHFEGDLDLEKFLQIAQDLGLYAIVRPSPFICAEWEFGGLPAWLLT-KNMRIRSSDPAYIEAVGRYYDQLLPRLVPRLLNNGGNILMMQVENEYGSYGEDKAYLRAIRQLMEECGVTCPLFTSDGPWRATLKAGTLIEEDLFVTGNFGSKAPYNFSQMQEFFDEHGKKWPLMCMEFWDGWFNRWKEPIITRDPKELADAVREVLEQ-GSINLYMFHGGANFGFMNGCSARGTLDLPQVTSYDYDALLDEEGNPTAKYLAVKKMMATHFSEYPQLE-PLYKESMELDAIPLVEKVSLFETLDSLSSPVESLYPQKMEELGQSYGYLLYRTETNWDAEEERLRIIDGRDRAQLYVDGQWVKTQYQTEIGEDIFYQGKKKGLSRLDILIENMGRVNYGHKFLADTQRKGIRTGVCKDLHFLLNWKHYPLPLDNPEKIDFSKGWTQGQ-PAFYAYDFTVEEPKDTYLDLSEFGKGVAFVNGQNLGRFWNVGPTLSLYIPHSYLKEGANRIIIFETEGQYKEEIHLTRKPTLKHIKGENL 4MAD Chain:B ((15-596)) MSQLTYDDSFLLDGKEIRLLSGAMHYFRTVPEYWEDRLLKLKACGFNTVETYVAWNLHEPEEGQFVFEGIADIVRFIKTAEKVGLHVIVRPGPFICAEWEFGGFPYWLLTVPNIKLRCFNQPYLEKVDAYFDVLFERLRPLLSSNGGPIIALQIENEYGSFGNDQKYLQYLRDGIKKRVGNELLFTSDGPEPSMLSGGMI--EGIFETVNFGSRAESAFAQLKQY----QPNAPLMCMEFWHGWFDHWGEEHHTRSAESVVETLEEILKQNGSVNFYMAHGGTNFGFYNGANHNETDYQPTITSYDYDGLLTESGDVTEKFYAVRKVFEK-YVDLPELNLPAPIPKRLFGKVKFTEHAGLLDSLHRISTPQKSEAPLPMEKYGQAYGFIVYETTIKGAYGKQALTVQDIHDRGQVYVNGEYVGIVERNRGCSRLVVELTEEE-SKLQIIVENMGRINYG-PFVVD--YKGITEGVRLGNQFLFDWTVYPLPLKDLSSLEFTADEVKENFPYFHKGILTVDKAADTFIDLSEWTKGVVFVNGHHLGRYWEIGPQQTLYVPAPFLQEGENEIILLELH-KHHQSVTFVDTPVLGAI-----

General information: TITO was launched using: RESULT: Template: 4MAD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3625 -24845 -6.85 -42.98 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -6.85 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_4MAD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MAD-query.scw PDB file : Tito_Scwrl_4MAD.pdb: