Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYIEMKHSYKRYQTGETEIVANNDISFSIERGELVVILGASGAGKSTVLNILGGMDSNSEGEVLIDGKNIANYTIRELTRYRRYDVGFVFQFYNLVPNLTALENVELASEIVPKALDAQQA-------LENVGLGHRINHFPAQLSGGEQQRVAIARAIAKKPKLLLCDEPTGALDYQTGKQVLAILQKMAQSKETTVIIVTHNTALA-PIANRVIHMHDSKISDIVINENPSDIQNIEY
4YMS Chain:J ((8-216))
---------YKNF--GSLEVLKG--VTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVN--INKVRQKVGMVFQHFNLFPHLTAIENITLAPVKV-KKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLA-NEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNER
General information:
TITO was launched using:
RESULT:
Template:
4YMS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114606 for 1547 contacts (-74.1/contact) +
2D Compatibility (PS) -22389 + (NN) -13643 + (LL) 1144
1D Compatibility (HY) -22400 + (ID) 4250
Total energy: -176144.0 ( -113.86 by residue)
QMean score : 0.497
(partial model without unconserved sides chains):
PDB file :
Tito_4YMS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMS-query.scw
PDB file :
Tito_Scwrl_4YMS.pdb
: