Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNIQAMRKKVEVQIADLQNETDEIAEFNQAKVLDAFQENKVSDFHFHPSTGYGYDDEGRDTLEHVYATVFKTEAALVRPQIISGTHAISTVLFGILRPDDELLYITGQP-YDTLEEIVGMRNQ-GQGSLKDFHIGYSSVPLLENGDVDFPLIAEKMTR--KTKMIGIQRSRGYADRPSFTIDKIKEMIIFVKNINPEVIVFVDNCYGEFAEYLEPTEVGADIIAGSLIKNPGGGLAKTGGYIAGKEALIDLCGYRLTTPGIGREAGASLYSLLEMYQGFFLAPHVTAQAIKGARFTAAMLAEFGVVADPTWDAPRTDLIQSISFHNKEKMVAFAQAIQAASPVNAHVLPIGAYMPGYEDDVIMAAGTFIQGASLELTADGPIREPYQLYVQGGLTYEHVKIAVTRAIQKTL |
3HVY Chain:A ((21-426)) | ----LELYERALNDVEKEFKYYDEIREYNQLKVLKAFQEERISESHFTNSSGYGYNDIGRDSLDRVYANIFNTESAFVRPHFVNGTHAIGAALFGNLRPNDTMMS-ICGMPYDTLHDIIGMDDSKKVGSLREYGVKYKMVDLKD-GKVDINTVKEELKKDDSIKLIHIQRSTGYGWRKSLRIAEIAEIIKSIREVNENVIVFVDNCYGEFVEEKEPTDVGADIIAGSLIKNIGGGIATTGGYIAGKEEYVTQATFRVTVPGIGGECGSTFGVMRSLYEGLFMAPHVTIEAVKGAVFCARIMELAGFDVLPKYNDKRTDIIQAIKFNDEKKLIDFIKGIQTASPVDSFVQC----------KVIMAAGTFVQGASIELSADAPIREPYIGYLQGGLTFDHAKLGVLIALSKLI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HVY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -210513 for 3541 contacts (-59.5/contact) +
2D Compatibility (PS) -42410 + (NN) -24597 + (LL) 660
1D Compatibility (HY) -36800 + (ID) 9750
Total energy: -323410.0 ( -91.33 by residue)
QMean score : 0.542
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