Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVLVSSLLVLGITITLQTVVEAKGPKVAYTQEGMTALSDTNKDKVTTISIDEIQKSLEGKKPITVSFDIDDTLLFSSQYFQYGKEYVTPGSFDFLHKQKFWDLVAKRGDQDSIPKEYAKKLIAMHQKRGDKIVFITGRTRGSMYKEGEVDKTAKALAKDFKLD----KPIAVNYTGDKPKKPYKYDKSYYIKKYGSDIHYGDSDDDIHAAREAGARPIRILRAPNSTNLPLPEAGGYGEEVLENSAY
2G1A Chain:A ((24-212))
-------------------------------------------------VSVAQIENSLAGRPPMAVGFDIDDTVLFSSPGFWRGKKTFSPESEDYLKNPVFWEKMNNGWDEFSIPKEVARQLIDMHVRRGDAIFFVTGRS------PTKTETVSKTLADNFHIPATNMNPVI--FAGDKPG---QNTKSQWLQDKNIRIFYGDSDNDITAARDVGARGIRILRASNSTYKPLPQAGAFGEEVIVNSEY
General information:
TITO was launched using:
RESULT:
Template:
2G1A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -20138 for 1503 contacts (-13.4/contact) +
2D Compatibility (PS) -20593 + (NN) -15832 + (LL) 4416
1D Compatibility (HY) -14000 + (ID) 4550
Total energy: -70697.0 ( -47.04 by residue)
QMean score : 0.614
(partial model without unconserved sides chains):
PDB file :
Tito_2G1A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2G1A-query.scw
PDB file :
Tito_Scwrl_2G1A.pdb
: