Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKVTDVEKSYQSAHVFKRRRTPIVKGVSFECPIGATIAIIGESGSGKSTLSRMILGIEKPDKGCVTLNDLPMHKKKVR----RHQIGAVFQDYTSSLHPFQTVREILFEVMCQCDGQPKEVMEVQAITLLEEVGL-SKAYMDKYPNMLSGGEAQRVAIARAICINPKYILFDEAISSLDMSIQTQILDLLIHLRETRQLSYIFITHDIQAATYLCDQLIIFKNGK-IEEQIPTSALHKSDNAYTRELIEKQLSF
3C41 Chain:K ((3-240))
MIDVHQLKKSFGSLEV--------LKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRF--NLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAH--AYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQL-ANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSK----
General information:
TITO was launched using:
RESULT:
Template:
3C41.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159408 for 1883 contacts (-84.7/contact) +
2D Compatibility (PS) -25386 + (NN) -11231 + (LL) 1268
1D Compatibility (HY) -18000 + (ID) 4050
Total energy: -216807.0 ( -115.14 by residue)
QMean score : 0.472
(partial model without unconserved sides chains):
PDB file :
Tito_3C41.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C41-query.scw
PDB file :
Tito_Scwrl_3C41.pdb
: