Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCGMTSLVDTALRLTYPDYRWRRLEAARPILGVRTYALTGRYRLVVKIALEEDLIDEDHGPCGEARRLAW-LAGHGIPVPEVVDTGVMGDDEYLVLRLPDDAVPADQVASEQRLAACDAVADVARAVHGIDHRGCP-FDRRLRVTIPRAKEACLFAEIRSRDP----MAKLTSLIAKALWVGRE----EPVVCHGDLRPDSVLIDARTRRVAAVLDVARLGVA------DRYTDLAAATRGWRA--GGLDKRVWWRYGEIPADADRVRLYRLLAEFCLPRPGTGRVEPRQDGGDVRRCGFVRQLGHGVPGDPTVFHQRRGLVVLETFTRQVRGGGVDT-GQEIGFGGFEHLALPAHRHRHVDGTRRPLARGQAGFLGQFAPGGLRGRLTGFD-AAAGRLPQQVGVDGVTPAQHQDPVVGVQAQHAGTLTIDFGHDAQVMARRRGGALAWAPGCPCHRVRCGSC 5HIU Chain:A ((21-460)) ---SPEQADLVAKLKNGHLSERVLAANKLRFAVVDFPLN---PVHAIWHAAKDMIHPENP--DNARQASWELLIECVKYP---NSTELERSEYFHTLTG----PAHSKDFCYQLVALEQLTNHGRNIAGFYYEMFPLLTLWLNQAYRAARDARKLALARPASPEDKNLSQLFALVKDVIKFNFKFATDDVIAGLIDMLLKICMLTSVEDDLRACIHVIESLVTFGSIPTNKLKYCIQVLSSIHCLVPSLQKEAWHTISIICRSHHGQSTVRILLDFLRSYS------PNPD---------------KNREKDTVRDVRGALSVLQKLLRKTAEKGYPQVPLSLLVGGLANVSKS---------SSTRVATEILRLINSLFHGNINPILVEEHWEPIFDVAAQCATKAPTVAK----------ENVSLQLKHLILRVENLIVHQGPELLQRDDCMKFLIRVQH-

General information: TITO was launched using: RESULT: Template: 5HIU.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 : 1749 -20874 -11.93 -53.94 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -11.93 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.250

(partial model without unconserved sides chains): PDB file : Tito_5HIU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5hiu-query.scw PDB file : Tito_Scwrl_5HIU.pdb: