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 3C39 Chain:A ((12-417)) -----LDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDNGAKSVVLMSHLGRP-DGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCV-GPEVEKACANPAAGSVILLENLRFHVEEEGKGKKAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVN--LPQKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASG---------IPAGWMGLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVVKATSRGCITIIGG-------------DKVSHVSTGGGASLELLEGKVLPGVDAL----

General information: TITO was launched using: RESULT: Template: 3C39.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 : 2003 1491 0.74 4.14 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 0.74 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_3C39.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C39-query.scw PDB file : Tito_Scwrl_3C39.pdb: