Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQYLDLMRHVREHGTFKSDRTGTGTYSVFGHQMRFDLAAGFPLVTTKKCHLKSIVHELLWFLKGSTNIAYLKEHGVSIWDEWADENGDLGPVYGYQWRSWPAPD--------GRHIDQIANLMAMLKKNPDSRRLIVSAWNPALIDEMALPPCHALFQFYVADGKLSCQLYQRSADIFLGVPFNIASYALLTLMVAQVAGLQPGEFIWTGGDCHLYANHLEQADLQLTREPLPLPSMKLNPEVKDLFDFRFEDFELVGYEAHPHIKAPVAV
1HW4 Chain:A ((72-352))
ELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGV----------GDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKME---
General information:
TITO was launched using:
RESULT:
Template:
1HW4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -203679 for 1938 contacts (-105.1/contact) +
2D Compatibility (PS) -27557 + (NN) -20774 + (LL) 1136
1D Compatibility (HY) -26400 + (ID) 6900
Total energy: -284174.0 ( -146.63 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_1HW4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1HW4-query.scw
PDB file :
Tito_Scwrl_1HW4.pdb
: