Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQIEFKNVSKVYPNGH---VGLKNINLNIEKGEFAVIVGLSGAGKSTLLRSVNRLHDITSGEIFIQGKSITKAHGKALLEMRRNIGMIFQHFNLVKRSSVLRNVLSGRVGYHPTWKMVLGLFPKED-KIKAMDALERVNILDKYNQRSDELSGGQQQRISIARALCQESEIILADEPVASLDPLTTKQVMDDLRKINQELGITILINLHFVDLAKEYGTRIIGLRDGEVVYDGPASEATDDVFSEIYGRTIKEDEKLGVN
3TUZ Chain:H ((25-253))
---IKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNV---------ALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSE----VFS----------------
General information:
TITO was launched using:
RESULT:
Template:
3TUZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142645 for 1800 contacts (-79.2/contact) +
2D Compatibility (PS) -24477 + (NN) -7693 + (LL) 1396
1D Compatibility (HY) -17200 + (ID) 4350
Total energy: -194969.0 ( -108.32 by residue)
QMean score : 0.497
(partial model without unconserved sides chains):
PDB file :
Tito_3TUZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUZ-query.scw
PDB file :
Tito_Scwrl_3TUZ.pdb
: