Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSILAIDTVGTGGSSIAIIDHDGNCFVEHN-S-I-----------SNSHAESFFQILNTLFNKHNYNYSKLDHLAVVVGPGSFNGIRVGISAAKGINLVTNKPLYGVNALEVQAYAMSLLCANNKKNIRAMIKSSQGFYMQLFDCNLLPLSDPTTTHDAQCLGTRTSGNNYITYMDCNLPKLDASHAGLLVHYRLKNKQKLNEVEALYLNELQYMKLL
2IVN Chain:A ((1-116))
MLALGIEGTAHT-LGIGIVSED-KVLANVFDTLTTEKGGIHPKEAAEHHARLMKPLLRKALSEAGVSLDDIDVIAFSQGPGLGPALRVVATAARALAVKYRKPIVGVNHCIAHVEITKMFGVKDPVGLYVSGGNTQVLALEGGRYRVFGETLDIGIGNAIDVFARELGLGFPGGPKVEKLAEKGEKYIELPYAVKGMDLSFSGLLTEAIRKYRSGKYR
General information:
TITO was launched using:
RESULT:
Template:
2IVN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68076 for 746 contacts (-91.3/contact) +
2D Compatibility (PS) -10916 + (NN) -3344 + (LL) -344
1D Compatibility (HY) -4400 + (ID) 1150
Total energy: -88230.0 ( -118.27 by residue)
QMean score : 0.422
(partial model without unconserved sides chains):
PDB file :
Tito_2IVN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IVN-query.scw
PDB file :
Tito_Scwrl_2IVN.pdb
: