Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGAAVMVF-SHLGRPVEGEPKPEQSLAPVAAYLTEALGQEVKLFTDYLDGVEVEA-------GQVVLLENVRFNPGEK----------KNNPELAQKY----AALCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAA-AGYNVGKSLYE-------ADLVETAKQIAAKVSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDAFS---IAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA 3PGK Chain:A ((9-415)) -----VQDLDLKDKRVFIRVDFNVPLDGKKITSNQRIVAALPTIKYVLEHHPRYVVLASHLGRP-NGERNEKYSLAPVAKELQSLLGKDVTFLNDCV-GPEVEAAVKASAPGSVILLENLRYHIEEEGSRKVDGQKVKASKEDVQKFRHELSSLADVYINDAFGTAHRAHSSMVGFD--LPQRAAGFLLEKELKYFGKALENPTRPFLAILGGAKVADKIQLIDNLLDKVDSIIIGGGMAFTFKKVLENTEIGDSIFDKAVGPEIAKLMEKAK--AKGVEVVLPVDFIIADAF---------SASANTKTVTDKEGIPAGWQGLDNGPESRKLFAATVAKATVILWNGPPGVFEFEKFAAGTKALLDEVVKSSAAGNTVIIGGGDTATVAKKYGVTDKISHVSTGGGASLELLEGKELPGVAFLSEK-

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 : 1945 -5551 -2.85 -14.84 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -2.85 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.470

(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: