Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRDVNKIILHKKDSILKALELLDLYALRIVLVVDDHNHLIGSITDGDIRRGLLKGQDVHASVETIMHTTPYSIEEGSLNNRQIFEIMREKSYLALPVIKNNQLVNIITLDDLIRKKRKENPVFIMAGGFGTRLRPLTDTCPKPMLPVGGKPLLETIISSFKNQGFYKFYISTHYLPEVINEYFGDGEKLGVQIQYVHETDPL-GTGGALSLLPASDIKLPFIVINGDVLTNMNFEKLLEFHEKRDAIATMCVREFQYQIPYGVV-----NSEDHVIQSMTEKPSYFFDINTGIYVISPELLPEVNAQFIGMPTILE-----QQMEKQNKVLSYPLHEYWLDIG---HMEDYNRAQRDIINLDFGKF 2GGQ Chain:A ((3-230)) --------------------------------------------------------------------------------------------------------------------------AFILAAGSGERLEPITHTRPKAFVPILSKPLIEYQIEYLRKCGIRDI---TVIVSSKNKEYF---EKKLKEISIVTQKDDIKGTGAAILSAKFNDEAL---IIYGDLFFSNEKEICNIITLKENAIIGVKVSNPK---DYGVLVLDNQNNLSKIIEKPEIPPSNL--INAGIYKLNSDIFTYLDKISISERGELELTDAINLMAKDHRVKVIEYEGYWMDIGKPWNIIDVNKWALD--NLVFSQ-

General information: TITO was launched using: RESULT: Template: 2GGQ.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 : 1158 -48786 -42.13 -227.97 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -42.13 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_2GGQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GGQ-query.scw PDB file : Tito_Scwrl_2GGQ.pdb: