Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSILAIDTVGTGGSSIAIIDHDGNCFVEHNSISNSHAESFFQILNTLFNKHNYNYSKLDHLAVVVGPGSFN---GIR---------VGISAAKGINLVTNKPLYGVNALEVQAYAMSLLCANNKKNIRAMIKSSQGFYMQLFDCNLLPLSDPTTTHDAQCLGTRTSGNNYITYMDCNLPKLDASHAGLLVHYRLKNKQKLNEVEALYLNELQYMKLL
2GUP Chain:A ((4-111))
MTIATIDIGGTG-IKFASLTPDGKILDKTSISTPENLEDLLAWLDQRL-----SEQDYSGIAMSV-PGAVNQETGVIDGFSAVPYIHGFSWYEALS-SYQLPVHLENDANCVGLSELLAHPELENAACVVIGTGIGGAMIINGRLHRGRHGLGGEFGYMTTLAPAEKLNNWSQLASTGNMVRYVIEKSGHTDWDGRKIYQEAAAGNILCQEAIERMN
General information:
TITO was launched using:
RESULT:
Template:
2GUP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57029 for 604 contacts (-94.4/contact) +
2D Compatibility (PS) -10582 + (NN) -4137 + (LL) -128
1D Compatibility (HY) -3600 + (ID) 1100
Total energy: -76576.0 ( -126.78 by residue)
QMean score : 0.430
(partial model without unconserved sides chains):
PDB file :
Tito_2GUP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GUP-query.scw
PDB file :
Tito_Scwrl_2GUP.pdb
: