Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEYNWDERHIITFPEENSALTTKDLHVY---YGEKEAIKGIDMQFEKNKITALIGPSGCGKSTYLRSLNRMNDTIDIARVTGQIMYEGIDVNAQDINVYEMRKHIGMVFQRPNPFAK-SIYKNITFAYERAGVKDKKFLDEVVETSLKQAALWDQV--KDDLHKSAFTLSGGQQQRLCIARAIAVKPEILLMDEPASALDPIATMQLEETMFEL-KKNYTIIIVTHNMQQAARASDYTAFFYLGDLIEYDKTNNIFQNAKCQSTSDYVSGRFG
3C4J Chain:B ((22-263))
--------------------LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDE-----GEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAP----MKVRKWPREKAEA--KAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF-
General information:
TITO was launched using:
RESULT:
Template:
3C4J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119961 for 1897 contacts (-63.2/contact) +
2D Compatibility (PS) -25466 + (NN) -11588 + (LL) 2336
1D Compatibility (HY) -17600 + (ID) 4700
Total energy: -176979.0 ( -93.29 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_3C4J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C4J-query.scw
PDB file :
Tito_Scwrl_3C4J.pdb
: