Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRM-KQG-KTI--LKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAET-VRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDID----DEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
3DHW Chain:C ((1-230))
-MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMI-------FQHFNLLSSRTV---FGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRL-GLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFS---------------------------
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) -163527 for 1792 contacts (-91.3/contact) +
2D Compatibility (PS) -23297 + (NN) -4695 + (LL) 2952
1D Compatibility (HY) -19600 + (ID) 3550
Total energy: -211717.0 ( -118.15 by residue)
QMean score : 0.408
(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
: