Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKNKVILSISLAAALLFAAGCSANNTTSSSSSTESSKSTSTAESTTASSVDLNALELPQLTKDVAENEDLVEMVTNKGTIKIKLFPEYAPKAVENF--MTHAKDGY-YNGLTFHRVIKDFMIQGGD-PKGDGTGGESIWGEGFETEINNHLYNI-RGALSMARSQDPNSNGSQFFIVQNTDDMHDGLLKDDYPQAIIDAYKNGGYPSLDGHYTVFGQVIEGMDVVDAIANIETDSSDKPKEEVKIDKINILQEAKQK 5CCN Chain:A ((17-159)) ------------------------------------------------------------------------------GRVVLELKADVVPKTAENFRALCTGEKGFGYKGSTFHRVIPSFMCQAGDFTNHNGTGGKSIYGSRFPDE-NFTLKHVGPGVLSMANA-GPNTNGSQFFICT---------IKTDW---------------LDGKHVVFGHVIEGMDVVKKIESFGSKSGRTSKKIVITD-----------

General information: TITO was launched using: RESULT: Template: 5CCN.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 : 686 31445 45.84 227.86 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 45.84 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_5CCN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CCN-query.scw PDB file : Tito_Scwrl_5CCN.pdb: