Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQMVKEKPERAVIVPKQNHVLEVKDLSIYYGNKQAVHHVNMDIEKNAVTALIGPSGCGKSTFLRNINRMNDLIPSARAEGEILYEGLNILGGNIN---VVSLRRE-IGMVFQKPNPFPK-SIYANITHAL--KYAG-----ERNKAVLDEIVEESLTKAALWDEVKDRLHSSALSLSGGQQQRLCIARTLAMKPAVLLLDEPASALDPISNAKIEELITGLKRE--YSIIIVTHNMQQALRVSDRTAFFLNGELVEYGQTEQIFTSPKKQKTEDYINGKFG 1L2T Chain:A ((20-223)) ------------------------------------ALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDK--PT---EGEVYID--NIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRAL-----ECLKMAELEERFANHKPNQ---LSGGQQQRVAIARALANNPPIILADQPTGALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVA-RFGERIIYLKDGEV---------------------------

General information: TITO was launched using: RESULT: Template: 1L2T.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 : 899 10206 11.35 53.72 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 11.35 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_1L2T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1L2T-query.scw PDB file : Tito_Scwrl_1L2T.pdb: