Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQDFKALENLQTKTLEAEKGGGLDRINKQHEKGKLTARERLSILLDENSFEEYDKFVKRHVTDFGMQNASFLGDGVVIGHGTIYGRKVFVYSQDFTVFGGSLGASHAKKICKIIDMAINVRVPIIGLNDSGGARIQEGVNSLAGYGELFQRNVNASGVIPQISLIMGPCAGGAVYSPALTDFTFMVKNSSYMFITGPDVVKKVTYEDVNHEDLGGAKIHTSKTGVVDFAFNNDVEMLLKIREFFTFLPANN-------QELPKSVPICDDVDDINESLNTLIPHNPNTPYDMHELIEKVCDERNFFELKPDFARNIIIGFGRIKGNTVGIVANQPMYLAGCLDIDSSRKAARFVRFCDAFNIPITTLIDVPGFLPGTNQEYNNIIQHGAKLLYAYAEATVPKISLITRKAYGGAYIVMNSKHLKGDINYAWPTAEIAVMGPESAVEIIFRHE--KDQQTLIKEYKEKFANPFFAASHGYIDDIIVPSKTRYHLYKALELLKNKKIERIWKKHDNLPL |
2BZR Chain:A ((29-548)) | ------LAELHKRREESLHPVGEDAVEKVHAKGKLTARERIYALLDEDSFVELDALAKHRSTNFNLGEKRPLGDGVVTGYGTIDGRDVCIFSQDATVFGGSLGEVYGEKIVKVQELAIKTGRPLIGINDGAGARIQEGVVSLGLYSRIFRNNILASGVIPQISLIMGAAAGGHVYSPALTDFVIMVDQTSQMFITGPDVIKTVTGEEVTMEELGGAHTHMAKSGTAHYAASGEQDAFDYVRELLSYLPPNNSTDAPRYQAAAPTGPIEENLTDEDLELDTLIPDSPNQPYDMHEVITRLLDD-EFLEIQAGYAQNIVVGFGRIDGRPVGIVANQPTHFAGCLDINASEKAARFVRTCDCFNIPIVMLVDVPGFLPGTDQEYNGIIRRGAKLLYAYGEATVPKITVITRKAYGGAYCVMGSKDMGCDVNLAWPTAQIAVMGASGAVGFVYRQQIDKLRLRLQQEYEDTLVNPYVAAERGYVGAVIPPSHTRGYIGTALRLLERK------KKHGNVPL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BZR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -221187 for 4253 contacts (-52.0/contact) +
2D Compatibility (PS) -53254 + (NN) -18504 + (LL) 1524
1D Compatibility (HY) -45200 + (ID) 13750
Total energy: -350371.0 ( -82.38 by residue)
QMean score : 0.492
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