Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -----MPISLPKVRGIYRYSVLMSKITWLNVGGQADILFKPRDIEDLIYLIKNTK---LPISVIGATSNMIVRDSGIRGITVKLGKEFAYIKYKSNNSIIAGGAALLSNLAYFAGEQQVSGLEFLVGIPGTIGGGIEMNAGAYGSDVASVVQSIKAVNLSDGNLYEFSSKEMGYVYRGHSLK-GQWIFIEAEFKGVSSGHEVILHRLKEIINKKNKSQPVRGKTAGCIFKNPRAYQAWKLIDGSGCRGLNNGGAKISKKHCNFLLNYNNATASDLENLGNKVRNTVKDKFNIELEWEIRVLGSH-- |
1HSK Chain:A ((15-317)) | NKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISL-LSLDHIEVS-DDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVN-EQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HSK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186273 for 2510 contacts (-74.2/contact) +
2D Compatibility (PS) -30968 + (NN) -7872 + (LL) -24
1D Compatibility (HY) -21200 + (ID) 4800
Total energy: -251137.0 ( -100.05 by residue)
QMean score : 0.473
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