Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTSLDLTGRTAIITGASRGIGLAIAQQLAAAGAHVVLTARRQEAADEAAAQVGDRALGVGAHAVD---EDAARRCVDLTLERFGSVDILINNAGTNPAYGPLLEQDHARFAKIFDVNLWAPLMWTSLVVTAWMGEHG-GAVVNTASIGGMHQSPAMGMYNATKAALIHVTKQLALELSPR-IRVNAICPGVVRTRLAEALWKDHEDPLAATIALGRIGEPADIASAVAFLVSDAASWITGETMIIDGGLLLGNALGFRAAPSTEH
4NBV Chain:A ((1-246))
---MKLQGRVAIITGAAAGIGFATAQRFAEDGAIVVLCDVQEARVREAAARLAATGATVSAYRVDVTRRDEVDAMVAAVLAAHQRVDILVNNAGITKD-ARLAKMTEAQFDAVIDVNLKG-VFNCAQAVAGLMTEQGKGVILNASSVVGLYGNFGQTNYAASKFGVIGFTKTWARELGPKGVRVNAVCPGFVNTEILQTVPDKVLDGMTSSCWLRRLAEPAEIASIYAFLASDDASYVNGVAIEASGGMSL--------------
General information:
TITO was launched using:
RESULT:
Template:
4NBV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -167308 for 2075 contacts (-80.6/contact) +
2D Compatibility (PS) -26358 + (NN) -9235 + (LL) 632
1D Compatibility (HY) -18000 + (ID) 4700
Total energy: -224969.0 ( -108.42 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_4NBV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBV-query.scw
PDB file :
Tito_Scwrl_4NBV.pdb
: