Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPRIRRSVMRQFTSLQVAILALGSLCFSTAYADSTLVPMSDAELSATRGQALMSMSYIAPNDSANLEKLRDSSSNVGFYKLGLEAELEINANIRKLQLGCGGVNGAGGCDIDFDNVSLSGVADTRE----GRVASDAKLTNPFLEFAIKNPNSASTREVAGIRLSAEAVEGLLTIGTENSATPNG-INSLSGYMVVAPQVGEATVDAARITQTGSPACGVYPSPAGCGVNQAITGKARGKIALGAGFNLDFQTKSYDITLTPTQKAQLSLPQSVVSGQRMSSVNLLASAIVNGIDLSGTLAADVDILGGITLNGNLRGTINNLPVTVPLLENLGYIHKINLSGSPLSLSMQGQDIRWPGTVSTAMRGWWLELSNPIDIGRIDPTNSVVI----KTDTIRDALTEVSKELTQNPLNC-GFLAVNCIGGDFNVGTR-DLSNARPALLELQNLQLANQSFAPNCYGSLKFC 4J3R Chain:A ((4-383)) ATLPTTASS-------------------STAVASSQLDQLANFAYNVTTDS-------VAGCTLQNLRVRRDWRA---FSKTQKKDYINSVLCLQKLPSRTPA-HLAPGARTRYDDFVATHINQTQIIHYTGTFLAWHRYFIYEFEQALRDECSY-TGDYPYWNWGADADN------MEKSQVFDGSETSMSGNGEYIPNQGD-----IKLLLGNYPAIDLPPGSGGGCVTSG-------------------PFKDYKLNLGP---AALSLP----GGNMTAAANPLTY---NPRCMKRSLT--TEILQRY----------NTFPKIVELILD---------SDDIWDFQMTMQGVPGSGSIGVHGGGHYSMGGDPGRDVYVSPGDTAFWLHHGMIDRVWWIWQNLDLRKRQNAISGTGTFMNNPASPNTTLDTVIDLGYANGGPIAMRDLMSTTAG--PFCYVYL---

General information: TITO was launched using: RESULT: Template: 4J3R.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 : 2066 36932 17.88 102.30 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 17.88 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.170

(partial model without unconserved sides chains): PDB file : Tito_4J3R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J3R-query.scw PDB file : Tito_Scwrl_4J3R.pdb: