Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MCYGSMSCN-PVEQRGEELKYMEKLIELYA-QW------AGEKPSTI-----EKLEGAGSNRVYYRFGNKSGQSVIAVIGTSRDENHAFIYLTEHFTDKQL-------PVPQILAVSDDELRYLQTDLGHTSLFDM------LKS-----ARDAGGRYT-------QKEKQLLTKTLQAL---SEMQVRGAVGLDFQQCYPQPEFNVESVLFDLNYFKY-------CFLKAT------GIDFH------ELMLEANFRMFAKDLTAEPAECFLYRDFQARNVMLDNDGNPYFIDYQGGRKGPYYYDLASFLWQA-------SAKYPFKLRRDLVSAY-YESLKQYTEV------------------------PSSRHFVERLNLFVLFRTLQVLG-AYGFRGYFERKKHFI------QSIPAA--MQNLRELIKLGEHVFPYPYMMSVLKEMTELPQFANKEERKVKRTD----GFKITDNN--------------IFKANPVDGPATFSKYDDKGELIVRVNSFSYHKGIPEDPTGNGGGYVFDCRSTHNPGRYEPYKNLTGLDEPVIRFLEDDGEILVFLESVYQLADRHVARYIERGFT-----------SLIFSFGCTG---------------GQHRSVYCAQHL---AEHIHDKFGIEVRI-NHREQKIEQTLEAK--------------------------------------- 5AZ4 Chain:A ((4-729)) VAINGDGFFMVSDDGGLTNYLTRSGDFKLDAYGNFVNNAGFVVQGWNINWDDQTIDSSRTPQNIFIDPGMHIPAAKSTEVAIKANLNSGLN----IGTSSRNLYALDSVHGWNTKTQRAEDENDTGTTQFYTTSKNSVEVTEKGVDAGSLFNAKGQGLNLRDGQGIWVSYADATYSTNKVGVNAFDPNLQQNQTAAFWGTANQKVNLDITLNGVRIQNADIQSIDDAIAYINTFTAPTDTRDGTGVKAVKNKDGSGIDFVNDNADGTTDNMKNINLVVANTNTAGELWNAVWNNNNQTFTFNNNGNGQAGTPTINKNGSSLWTATNITFTPQPPQAATNVQLTGGLNAQIITAHKYIYSSNPVDIGPMYNPDGGPAFQPGANATTRPTEPGSAAYWDAVNGGLLNTNVRTFRTTEDLRELLQRDARYGVDYDGSGTFAAADINQNIKVVVTADGH-----FAISNANEQSTVPPNAINGVGNATTTDPKNMSFNITAYSNKQGTVSTNDAFTAIFKAF--DGPLVIGNQIKESEQL-KLSAFSAGLEIYDSLGSKHTLEVQFVKQSTTQDGGNEWQMIIRVPEPAEINTTGEGPNNIIVGTARFNNDGSLASYTPRTINFSPNNGAAPNQQIKLSFGTSGSNDGLVSSNSASTLTGQATDGYTSGNLKPDAIRVDDKGNILGEFTNGKTFAVAKIAMASVANNSGLEEIGGNLFKVTANSGNIVVGEAGTGGRGEMKT

General information: TITO was launched using: RESULT: Template: 5AZ4.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 : 2597 107063 41.23 205.50 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 41.23 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.131

(partial model without unconserved sides chains): PDB file : Tito_5AZ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5az4-query.scw PDB file : Tito_Scwrl_5AZ4.pdb: