Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDYAPHTAENVVQNANKLIDVFRKNNGFIAFVRVNFYDGKDVLQ-----PNAMISLP---PKEGDDYSRFHHLLDKRDDDFVIDKRHFSAFVGTDLDLQLRRRGIDTIVLGGVATHIGVDTTARDAYQLNYNQFFVTDMMSAQNETLHQFPIDNVFPLMGQTITTNDFLNILN
1NBA Chain:A ((65-231))
----CPGMETIIPNVQRINEAARAKGVPVFYTT-NVYRNRDASSGTNDMGLWYSKIPTETLPADSYWAQIDDRIAPADGEVVIEKNRASAFPGTNLELFLTSNRIDTLIVTGATAAGCVRHTVEDAIAKGFRPIIPRETIGDRVPGVVQWNLYDIDNKFGDVESTDSVVQYL-
General information:
TITO was launched using:
RESULT:
Template:
1NBA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64053 for 1134 contacts (-56.5/contact) +
2D Compatibility (PS) -16941 + (NN) -5033 + (LL) 480
1D Compatibility (HY) -7600 + (ID) 1550
Total energy: -94697.0 ( -83.51 by residue)
QMean score : 0.423
(partial model without unconserved sides chains):
PDB file :
Tito_1NBA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NBA-query.scw
PDB file :
Tito_Scwrl_1NBA.pdb
: