Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAINIALDGPAAAGKSTIAKRVASELSMIYVDTGAMYRALTYKYLKLN---KTEDFAKLVDQTTLDLTYKADKGQC-VILDNEDVTDFLRNNDVTQHVSYVASKEPVRSFAVKKQKELAAEKGIVMDGRDIGTVVLPDADLKVYMIASVEERAERRYKDNQLRGIESNFEDLKRDIEARDQYDMNREISPLRKADDAVTLDTTGKSIEEVTDEILAMVSQIK
1KDR Chain:B ((8-222))
-----ITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASED-ALVPLASHLDVRFVSTNGNLEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKERDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQ--
General information:
TITO was launched using:
RESULT:
Template:
1KDR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64640 for 1690 contacts (-38.2/contact) +
2D Compatibility (PS) -21802 + (NN) -1815 + (LL) 940
1D Compatibility (HY) -14000 + (ID) 4250
Total energy: -105567.0 ( -62.47 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_1KDR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KDR-query.scw
PDB file :
Tito_Scwrl_1KDR.pdb
: