Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKNKVILSISLAAALLFAAGCSANNTTSSSSSTESSKSTSTAESTTASSVDLNALELPQLTKDVAENEDLVEMVTNKGTIKIKLFPEYAPKAVENF--MTHAKDGY-YNGLTFHRVIKDFMIQGGD-PKGDGTGGESIWGEGFETEINNHLYNI-RGALSMARSQDPNSNGSQFFIVQNTDDMHDGLLKDDYPQAIIDAYKNGGYPSLDGHYTVFGQVIEGMDVVDAIANIETDSSDKPKEEVKIDKINILQEAKQK 3RDA Chain:X ((19-161)) ------------------------------------------------------------------------------GRVVLELKADVVPKTAENFRALCTGEKGFGYKGSTFHRVIPSFMCQAGDFTNHNGTGGKSIYGSRFPDE-NFTLKHVGPGVLSMANA-GPNTNGSQFFICT---------IKTDW---------------LDGKHVVFGHVIEGMDVVKKIESFGSKSGRTSKKIVITD-----------

General information: TITO was launched using: RESULT: Template: 3RDA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 687 30011 43.68 217.47 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain X : 0.71 3D Compatibility (PKB) : 43.68 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_3RDA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RDA-query.scw PDB file : Tito_Scwrl_3RDA.pdb: