Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQLYYKYGTMNSGKTIEILKVAHNYEEQGKPVVIMTSALDTRDEFGVVSS-RIGMRREAVPISDDMDIFSYIQNLPQKPYCVLIDECQFLSKKNVYDLARVVDDLDVPVMAFGLKNDFQNNLFEGSKHLLLLADKIDEIKTICQYCSKKATMVLRTENGKPVYEGDQIQIGGNETYIPVCRKHYFNPDI
1W4R Chain:A ((20-192))
-GQIQVILGPMFSGKSTELMRRVRRFQIAQYKCLVIKYAKDTRYSSSFCTHDRNTM--EALPACLLRDVAQEALGVA----VIGIDEGQFFP--DIVEFCEAMANAGKTVIVAALDGTFQRKPFGAILNLVPLAESVVKLTAVCMECFREAAYTKRLGTEKEVE-----VIGGADKYHSVCRLCYFK---
General information:
TITO was launched using:
RESULT:
Template:
1W4R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107156 for 1400 contacts (-76.5/contact) +
2D Compatibility (PS) -18413 + (NN) -4908 + (LL) 840
1D Compatibility (HY) -9200 + (ID) 2250
Total energy: -141087.0 ( -100.78 by residue)
QMean score : 0.360
(partial model without unconserved sides chains):
PDB file :
Tito_1W4R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1W4R-query.scw
PDB file :
Tito_Scwrl_1W4R.pdb
: