Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKAKFERNKPHVNVGTIGHVDHGKTTLTAAIATICAKTYGGEAKDYSQIDSAPEEKARGITINTSHVEYDSPTRHYAHVDCPGHADYVKNMITGAAQMDGAILVCAATDGPMPQTREHILLSRQVGVPYIIVFLNKCDLVDDEELLELVEMEVRELLSTYDFPGDDTPVIRGSALAALNG-EAGPYGEESVLALVAALDSYIPEPERAIDKAFLMPIEDVFSISGRGTVVTGRVEAGIIKVGEEVEIVGIKDTVKTTVTGVEMFRKLLDEGRAGENCGILLRGTKREEVQRGQVLAKPGTIKPHTKFDAEVYVLSKEEGGRHTPFLNGYRPQFYFRTTDVTGAIQLKEGVEMVMPGDNVEMSVELIHPIAMDPGLRFAIREGGRTVGAGVVAKVTA 4IW3 Chain:B ((46-431)) ---------LPHVNVGTIGHVDHGKTTLTAALTRVCSEVFGS------KIDSAPEEKARGITINTAHVEYNSTIRHYAHVDCPGHADYVKNMITGAAQMDGAILVCSAADGPMPQTREHILLSRQVGVPYIVVFLNKADLV--AELLELVEMEVRDLLSTYDFPGDDTPIIIGSARMALEGKDDNEMGTTAVKKLVETLDSYIPEPVRAIDQPFLMPIEDVFSISGRGTVVTGRIERGIVRVQDPLEIVGLRDTTTTTCTGVEMFRKLLDEGRAGENCGVLLRGTKRDDVERGQVLVKPGSVKPHTKFTAEVYVLSKEEGGRHTPFFKGYRPQFYFRTTDVTGNCELPEGVEMVMPGDNIQMTVTLIKTIAMEDGLRFAIREGGRTVGAGVVAKI--

General information: TITO was launched using: RESULT: Template: 4IW3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2085 -102735 -49.27 -272.51 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.94 3D Compatibility (PKB) : -49.27 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.620

(partial model without unconserved sides chains): PDB file : Tito_4IW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IW3-query.scw PDB file : Tito_Scwrl_4IW3.pdb: