Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALKIMIVDDHQLFREGIKRILELEDSFEVVAEAENGKNIVAKVREYKPDIVLMDINMPTVNGLDATEMLVRQFPSIKVIVLTIHDTDEYVTEALRAGAVGYLLKEMDAHELVEAVKIVDNGGAYIHPRVAIKLIREYRHLASTNTSQGVYGYQQPEVKMPLHILTHRECEVLQLLTDGKSNRGIGETLFISEKTVKNHVSSILQKMKVNDRTQAVVTAIKHGWVYIR
4HYE Chain:A ((22-220))
--MKVLVAEDQSMLRDAMCQLLTLQPDVESVLQAKNGQEAIQLLEKESVDIAILDVEMPVKTGLEVLEWIRSEKLETKVVVVTTFKRAGYFERAVKAGVDAYVLKERSIADLMQTLHTVLEGRKEYSP--------ELMEMVMTRPNP----------------LTEQEIAVLKGIARGLSNQEIADQLYLSNGTIRNYVTNILSKLDAGNRTEAANIAKESGWL---
General information:
TITO was launched using:
RESULT:
Template:
4HYE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127453 for 1625 contacts (-78.4/contact) +
2D Compatibility (PS) -21843 + (NN) -12171 + (LL) 2916
1D Compatibility (HY) -14400 + (ID) 2950
Total energy: -175901.0 ( -108.25 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_4HYE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HYE-query.scw
PDB file :
Tito_Scwrl_4HYE.pdb
: