Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDI---QLEDIKGEPVGYE-STGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
3OCA Chain:A ((23-205))
-SVLSIVTVPDKRLSLCSEEVEKVDQSIRKLVDDMFETMHANQGLGLAAVQVGVHKRILVMNVPEE---NVEDKIEGYELYGGPYCIINPKIVDISQEKVKLKEGCLSVPGYFDYIVRPQRIAVQYLDYNGNECIIKAQGWLARCLQHEIDHLNGTVFLKYLSKFKRDFAIEKVKKKERTDLI
General information:
TITO was launched using:
RESULT:
Template:
3OCA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89703 for 1366 contacts (-65.7/contact) +
2D Compatibility (PS) -18595 + (NN) -4008 + (LL) 608
1D Compatibility (HY) -18000 + (ID) 4350
Total energy: -134048.0 ( -98.13 by residue)
QMean score : 0.477
(partial model without unconserved sides chains):
PDB file :
Tito_3OCA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OCA-query.scw
PDB file :
Tito_Scwrl_3OCA.pdb
: