Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGA-AVMVFSHLGRPVEGEPKPEQ-SLAPVAAYLTEALGQEVKLFTDYLDGVEVE-------AGQVVLLENVRFNPGEK-----------KNNPELAQKYAA----LCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAA-AGYNVGKSLYEADLVETAKQIAAK-----VSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDA---FSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA 4O33 Chain:A ((9-414)) -----LDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDNGAKSVVLMSHLGRP-DGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCV-GPEVEKACANPAAGSVILLENLRFHVEEEGKGKDASGNKVKAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVN--LPQKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASG---------IPAGWMGLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVVKATSRGCITTIGGGDTATCCAKWNTEDKVSHVSTGGGASLELLEGKVLPGVDAL----

General information: TITO was launched using: RESULT: Template: 4O33.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 : 2116 121 0.06 0.32 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 0.06 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_4O33.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O33-query.scw PDB file : Tito_Scwrl_4O33.pdb: