Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQIEFKNVSKVYPNGH---VGLKNINLNIEKGEFAVIVGLSGAGKSTLLRSVNRLHDITSGEIFIQGKSITKAHGKALLEMRRNIGMIFQHFNLVKRSSVLRNVLSGRVGYHPTWKMVLGLFPKED-KIKAMDALERVNILDKYNQRSDELSGGQQQRISIARALCQESEIILADEPVASLDPLTTKQVMDDLRKINQELGITILINLHFVDLAKEYGTRIIGLRDGEVVYDGPASEATDDVFSEIYGRTIKEDEKLGVN
3DHW Chain:C ((2-230))
---IKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNV---------ALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSE----VFS----------------
General information:
TITO was launched using:
RESULT:
Template:
3DHW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141908 for 1828 contacts (-77.6/contact) +
2D Compatibility (PS) -23838 + (NN) -2015 + (LL) 1396
1D Compatibility (HY) -17200 + (ID) 4400
Total energy: -187965.0 ( -102.83 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3DHW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DHW-query.scw
PDB file :
Tito_Scwrl_3DHW.pdb
: