Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKADKALLIVDMINNFEFDMGETLAKKTEKIVPHILSLKEHARQNEWPIIYINDHYGLWQADI-----K----NIQ-QEC-TNERSKDIITKIAPVDADYFLIKPKHSAFYETALHTLLTELQVRHIIITGIAGNICVLFTANDAYMREYSITIPKDCIASNSDEDNEFALTMMENVLFAEITTEEQIIEK
1NBA Chain:A ((41-229))
-YGNRPAVIHIDLANAWTQPGHPFSCPGMETIIPNVQRINEAARAKGVPVFYTTNVYRNRDASSGTNDMGLWYSKIPTETLPADSYWAQIDDRIAPADGEVVIEKNRASAFPGTNLELFLTSNRIDTLIVTGATAAGCVRHTVEDAIAKGFRPIIPRETIGDRVPGVVQWNLYDIDNK-FGDVESTDSVVQ-
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) -131561 for 1442 contacts (-91.2/contact) +
2D Compatibility (PS) -18801 + (NN) -6161 + (LL) 448
1D Compatibility (HY) -7200 + (ID) 2050
Total energy: -165325.0 ( -114.65 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
: