Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYIEMKHSYKRYQTGETEIVANNDISFSIERGELVVILGASGAGKSTVLNILGGMDSNSEGEVLIDGKNIANYTIRELTRYRRYDVGFVFQFYNLVPNLTALENVELASEIVPKALDAQQA-------LENVGLGHRINHFPAQLSGGEQQRVAIARAIAKKPKLLLCDEPTGALDYQTGKQVLAILQKMAQSKETTVIIVTHNTALA-PIANRVIHMHDSKISDIVINENPSDIQNIEY
4YMT Chain:J ((8-216))
---------YKNF--GSLEVLKG--VTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVN--INKVRQKVGMVFQHFNLFPHLTAIENITLAPVKV-KKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLA-NEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNER
General information:
TITO was launched using:
RESULT:
Template:
4YMT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113132 for 1549 contacts (-73.0/contact) +
2D Compatibility (PS) -22584 + (NN) -14308 + (LL) 1144
1D Compatibility (HY) -22400 + (ID) 4250
Total energy: -175530.0 ( -113.32 by residue)
QMean score : 0.501
(partial model without unconserved sides chains):
PDB file :
Tito_4YMT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMT-query.scw
PDB file :
Tito_Scwrl_4YMT.pdb
: