Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAINIALDGPAAAGKSTIAKRVASELSMIYVDTGAMYRALTYKYLK----LNKTEDFAKLVDQTTLDLTYKADKGQCVILDNEDVTDFLRNNDVTQHVSYVASKEPVRSFAVKKQKELAAEKGIVMDGRDIGTVVLPDADLKVYMIASVEERAERRYKDNQLRGIESNFEDLKRDIEARDQYDMNREISPLRKADDAVTLDTTGKSIEEVTDEILAMVSQIK---
1CKE Chain:A ((3-227))
AIAPVITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDALVPLASHLDVRFVST-NGNLEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQVKGFSVNFERLLAEI-------------KLVPAADALVLDSTTLSIEQVIEKALQYARQKLALA
General information:
TITO was launched using:
RESULT:
Template:
1CKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93962 for 1618 contacts (-58.1/contact) +
2D Compatibility (PS) -22000 + (NN) -7907 + (LL) 1060
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -140159.0 ( -86.62 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_1CKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1CKE-query.scw
PDB file :
Tito_Scwrl_1CKE.pdb
: