Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGA-AVMVFSHLGRPVEGEPKPEQ-SLAPVAAYLTEALGQEVKLFTDYLDGVEVEA-------GQVVLLENVRFNPGEK-KNNPELAQKYAA--------------LCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAA-AGYNVGKSLYEADLVETAKQIAAK-----VSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDA---FSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA 2PAA Chain:A ((8-413)) -----LDKVDLKGKRVIMRVDFNVPMKNNQITNNQRIKAAIPSIKHCLDNGAKSVVLMSHLGRP-DGIPMPDKYSLEPVADELKSLLNKDVIFLKDCV-GPEVEQACANPDNGSIILLENLRFHVEEEGKGKDSSGKKISADPAKVEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVN--LPQKASGFLMKKELDYFSKALEKPERPFLAILGGAKVKDKIQLIKNMLDKVNFMIIGGGMAYTFLKELKNMQIGASLFDEEGATIVKEIMEKAEKNGVKIVFPVDFVTGDK-------FDENAKVGQATIE--SGIPSGWMGLDCGPESIKINAQIVAQAKLIVWNGPIGVFEWDAFAKGTKALMDEVVKATSNGCVTIIGGGDTATCCAKWGTEDKVSHVSTGGGASLELLEGKILPGVEAL----

General information: TITO was launched using: RESULT: Template: 2PAA.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 : 2072 13899 6.71 37.26 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 6.71 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_2PAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PAA-query.scw PDB file : Tito_Scwrl_2PAA.pdb: