Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEFQNVSKIYKGGKVAVEDVNLSFEKGEFICFIGTSGSGKTTTMRMINRMTDPTQGKILIDGKSIQEIDPV--ELRRQIGYVIQSIGLMPHMTIRENITLV-QKLLKVSQEERNKTAEKMIDLVELPREMLDRYPHELSGGQQQRIGVVRALAANQDIILMDEPFGALDPITRDSLQDLVKDLQERLGKTIVFVTHDMDEAIKLASRIAIMSEGRVIQFDTPENILRHPANDFVEELIGEDRLLQAKPNATRVGEVMLNTAITITPEKSLQEAIKLMREKRVDTLLVTDNSNVLKGFIDVETLNKKRGKVSSVGDILNKHVFYVKESAYLRDTLQRILKRGLKYVPVVDEQNKVVGILTRASLVDIVYDVIWGEDPATTDVAESATPEESKEV 3C41 Chain:J ((3-232)) MIDVHQLKKSF-GSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGL-KDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHE-----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C41.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1198 -45755 -38.19 -201.56 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain J : 0.69 3D Compatibility (PKB) : -38.19 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_3C41.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C41-query.scw PDB file : Tito_Scwrl_3C41.pdb: