Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKTVVLAEKPSVGRDLARVLKCHKKGNGYLEGDQYIVTWALGHLVTLADPEGYGKEFQ------SWR-LEDLPIIPEPLKLVVIKKTGKQFNAVKSQLTRKDVNQIVIATDAGREGELVARWIIEKANV-RKPIKRLWISSVTDKAIKEGFQKLRSGKEYENLYHSAVARAEADWIVGINATRALTTKFNAQLSCGRVQTPTLAMIAKREADIQAFTPVPYYGIRAAVDG-----MTLTWQDKKSKQTRTFNQDVTSRLLKNLQGKQAVVAELKKTAKKSFAPALYDLTELQRDAHKRFGFSAKETLSVLQKLYEQHKLVTYPRTDSRFLSSDIVPTLKDRLEGMEVKPYAQYVSQIKKRGIKSHKGYVNDAKVSDHHAIIPTEEPL---VLSSLSDKERKLYDLIAKRFLAVLMPAFEYEETKVIAEIGGETFTAKGKTVQSQGWKAVYDMAEEDDEQEDDRDQTLPALQKGDTLAVRTLTETSGQTKPPARFNEGTLLSAMENPSAFMQGEEKGLVKTLGETGGLGTVATRADIIEKLFNSFLIEKKGQDIFITSKGKQLLQLVPE---DLKSPALTAEWEQKLSAIAAGKLKSAVFIKDMKAYAHQTVKEIKN-S-SQTF--RHDNITGTACPECGKMMLKVNGKRGTMLVCQ-DR-----ECGSRKTIARK------------------TNARCPNCHKRMELR-GQGEGQTFACV----CGHREKLSVFEKRKNKDKARATKRDVSSYMKKQNKDEPINNALAEQLKKLGLDK 4RUL Chain:A ((4-709)) -GKALVIVESPAKAKTINKYLGS-----------DYVVKSSVGHIRDLPT---------KDERGALVNRMGVDPWHNWEAHYEVLPGKEKVVSELKQLAEKA--DHIYLATDLDREGEAIAWHLREVIGGDDARYSRVVFNEITKNAIRQAFNKPGELNI--DRVNAQQARRFMDRVVGYMVSPLLWKKIARGLSAGRVQSVAVRLVVEREREIKAFVPEEFWEVDASTTTPSGEALALQVTHQNDKPFRPVNKEQTQAAVSLLEKARYSVLEREDKPTTSKPGAPFITSTLQQAASTRLGFGVKKTMMMAQRLYEA-GYITYMRTDSTNLSQDAVNMVRGYISDNFGK---KY------LPESPNQYASK---QEAHEAIRPSDVNVMAESLKDMEADAQKLYQLIWRQFVACQMTPAKYDSTTLTVGAGDFRLKARGRILRFDGWTKVMPALRKG-----DEDRILPAVNKGDALTLVELTPAQHFTKPPARFSEASLVKELE-------------------KRGIGRPSTYASIISTIQDRGYVRVENRRFYAEKMGEIVTDRLEENFRELMNYDFTAQMENSLDQVANHEAEWKAVLDHFFSDFTQQLDKAEKDPEEGGMRPNQMVLTSIDCPTCGRKMGIRTASTGVFLGCSGYALPPKERCKTTINLVPENEVLNVLEGEDAETNALRAKRRCPKCGTAMDSYLIDPKRKLHVCGNNPTCDGYE-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RUL.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 : 3112 -221649 -71.22 -359.82 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -71.22 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_4RUL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RUL-query.scw PDB file : Tito_Scwrl_4RUL.pdb: