Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKADKALLIVDMINNFEFDMGETLAKKTEKIVPHILSLKEHARQNEWPIIYINDHY------------GLWQADIKNIQQECTNERSKDIITKIAPVDADYFLIKPKHSAFYETALHTLLTELQVRHIIITGIAGNICVLFTANDAYMREYSITIPKDCIASNSDEDNEFALTMMENVLFAEITTEEQIIEK
1NBA Chain:A ((45-229))
-----PAVIHIDLANAWTQPGHPFSCPGMETIIPNVQRINEAARAKGVPVFYTTNVYRNRDASSGTNDMGLWYSKIPT-ETLPADSYWAQIDDRIAPADGEVVIEKNRASAFPGTNLELFLTSNRIDTLIVTGATAAGCVRHTVEDAIAKGFRPIIPRETIGDRVPGVVQWNLYDIDN-KFGDVESTDSVVQ-
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) -126729 for 1431 contacts (-88.6/contact) +
2D Compatibility (PS) -18408 + (NN) -6726 + (LL) 772
1D Compatibility (HY) -8400 + (ID) 2150
Total energy: -161641.0 ( -112.96 by residue)
QMean score : 0.420
(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
: