Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVAVLSGAGISAESGVPTFRDDKNGLWARFDPYELSSTQGWLRNPERVWGWY--LWRHYLVANVEPNDGHRAIAAWQDHAEV-SVITQNVDDLHERAGSGAVHHLHGSLFEFRCARCG--VPYTDALPEMPEPAIEVEPPVCDCGGLIRPDIVWFGEPLPEEPWRSAVEATGSADVMVVVGTSAIVYPAAGLPDLALARGTAVIEVNPEPTPLSGSATISIRESASQALPGLLERLPALLK
3U31 Chain:A ((47-261))
-HVVALTGSGTSAESNIPSFRGSSNSIWSKYDPRIYGTIWGFWKYPEKIWEVIRDISSDY---EIEINNGHVALSTLESLGYLKSVVTQNVDGLHEASGNTKVISLHGNVFEAVCCTCNKIVKLNKIMLQKTSHFMHQLPPECPCGGIFKPNIILFGEVVSSDLLKEAEEEIAKCDLLLVIGTSSTVSTATNLCHFACKKKKKIVEINISKTYITNKMS-----------------------
General information:
TITO was launched using:
RESULT:
Template:
3U31.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98557 for 1643 contacts (-60.0/contact) +
2D Compatibility (PS) -22512 + (NN) -10620 + (LL) 2672
1D Compatibility (HY) -18400 + (ID) 3500
Total energy: -150917.0 ( -91.85 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3U31.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3U31-query.scw
PDB file :
Tito_Scwrl_3U31.pdb
: