Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------MKWMCSICCAAVLLAGGAAQAEAVPNEPINWGFKRSVNHQPPDAG-----------------KQLNSLIEKYDAFYLGNTKEKTIYLTFDNGYENGYTPKVLDVLKKHRVTGTFFVTGHFVKDQPQLIKRMSDEGHIIGNHSFHHPDLTTKTADQIQDELDSVNEEVYKITGKQDNLYLRPPRGVFSEYVLKETKRLGYQTVFWSVAFVDWKINNQKGKKYAYDHMIKQAHPGAIYLLHTVSRDNAEALDDAITDLKKQGYTFKSIDDLMFEKEMRLPSL----- 2C1I Chain:A ((14-431)) FEQKIESLKKEKDDQLSEGNQKEHFRQGQAEVIAYYPLQGEKVISSVRELINQDVKDKLESKDNLVFYYTEQEESGLKGVVNRNVTKQIYDIEETEKTSLGKVHLTEDGQPFTLDQLFSDASKAKEQLIKELTSFDLSAWNFDYKDSQIILYEIALPVSAFFDVIQSSYLLEKDAALYQSYFDKKHQKVVALTFNDGPNPATTPQVLETLAKYDIKATFFVLGKNVSGNEDLVKRIKSEGHVVGNHSWSHPILSQLSLDEAKKQITDTEDVLTKVLGSSSKLM-RPPYGAITDDIRN---SLDLSFIMWDVDSLDWKSKN---EASILTEIQHQVANGSIVLMHDIHSPTVNALPRVIEYLKNQGYTFVTIPEMLNTRLKAHELYYSRDE

General information: TITO was launched using: RESULT: Template: 2C1I.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 : 1134 -109908 -96.92 -429.33 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -96.92 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_2C1I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2C1I-query.scw PDB file : Tito_Scwrl_2C1I.pdb: