Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGAA-VMVFSHLGRPVEGEPKPEQSLAPVAAYLTEALGQEVKLFTDYLDG------VEVEAGQVVLLENVRFNPGEKK----N----------NPELAQKYAALCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAAAG-YNVGKSLYEADLVETAKQIAAK-----VSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKV-EDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQ-S--DAFSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA 3PGK Chain:A ((8-416)) ----SVQDLDLKDKRVFIRVDFNVPLDGKKITSNQRIVAALPTIKYVLEHHPRYVVLASHLGRPNGER-NEKYSLAPVAKELQSLLGKDVTFLNDCVGPEVEAAVKASAPGSVILLENLRYHIEEEGSRKVDGQKVKASKEDVQKFRHELSSLADVYINDAFGTAHRAHSSMVGFD--LPQRAAGFLLEKELKYFGKALENPTRPFLAILGGAKVADKIQLIDNLLDKVDSIIIGGGMAFTFKKVLENTEIGDSIFDKAVGPEIAKLMEKAKAKGVEVVLPVDFIIADA----FS------ASANTKTVTDKEGIPAGWQGLDNGPESRKLFAATVAKATVILWNGPPGVFEFEKFAAGTKALLDEVVKSSAAGNTVIIGGGDTATVAKKYGVTDKISHVSTGGGASLELLEGKELPGVAFLSEKK

General information: TITO was launched using: RESULT: Template: 3PGK.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 : 1969 -13234 -6.72 -35.01 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -6.72 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_3PGK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PGK-query.scw PDB file : Tito_Scwrl_3PGK.pdb: