Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTILSVQHVSKTYGKKHTFQALKDINFDIQKGEFVAIMGPSGSGKTTLLNVLSSIDQISSGSVIANGQELNKLNQKALAKFRKESLGFIFQDYSILPTLTVKENIMLPLSVQKMSKATMEENYKAITTALG---IYDLGNKYPSE-------LSGGQQQRTAAARAFVHKPQIIFADEPTGALDSKSANDLLQRLEEMNKSFDTTIVMVTHDPVAASFAERVIMLKDGQI-HTQLYQEGRSKQAFYEDIVHLQSVLGGVSNDI
2HYD Chain:B ((340-578))
---IDIDHVSFQYNDNEA-PILKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILIDGHNIKDFLTGSL----RNQIGLVQQD-NILFSDTVKENILL-----GRPTATDEEVVEAAKMANAHDFIMNLPQGYDTEVGERGVKLSGGQKQRLSIARIFLNNPPILILDEATSALDLESESIIQEALDVLSK--DRTTLIVAHRLSTITHADKIVVIENGHIVETGTHRELIAKQGAYEHLYSIQNL--------
General information:
TITO was launched using:
RESULT:
Template:
2HYD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102481 for 1813 contacts (-56.5/contact) +
2D Compatibility (PS) -24889 + (NN) -11815 + (LL) 1596
1D Compatibility (HY) -18000 + (ID) 4200
Total energy: -159789.0 ( -88.14 by residue)
QMean score : 0.454
(partial model without unconserved sides chains):
PDB file :
Tito_2HYD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HYD-query.scw
PDB file :
Tito_Scwrl_2HYD.pdb
: