Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIG------------YLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTL--AMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRW-----NNRFSMAMLE
2YZ2 Chain:A ((20-255))
--------------KKALENVSLVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSGDVLYDGER--KKGYE---IRRNIGIAFQYPEDQFF-AERVFDEV---AFAVKNFYPDRDP------------VPLVKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLDREGKTDLLRIV----EKWKTLGKTVILISHDIETVINHVDRVVVLEKGKKVFDGTRMEFLEKYD-PRFFTSKMLVMRRLVLKGEDPFSMS---
General information:
TITO was launched using:
RESULT:
Template:
2YZ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132216 for 1650 contacts (-80.1/contact) +
2D Compatibility (PS) -23065 + (NN) -5682 + (LL) 3360
1D Compatibility (HY) -18800 + (ID) 4000
Total energy: -180403.0 ( -109.34 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_2YZ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YZ2-query.scw
PDB file :
Tito_Scwrl_2YZ2.pdb
: