Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEPFKSGFVAIVGRPNVGKSTLLNHIIGQKIAIMSDKAQTTRNKVQGVYTTDESQIIFIDTPGIHKPKHKLGD--FMVKI---ALNTFQEVDLIYFVIDASTGFGRGDEFIIEKLKNVQTPVFLLINKIDLIAPEDLFKLIEQYRDLMDFDEIIPISALQGNNVPNLLEQTNANLEIGPMYYPKDQITDHPERFIISELIREQVLQLTREEVPHSVAVVIEGIEKNPKTEKLTINATIIVERSTQKGIIIGKQGQMLKQIGMRARKEIERLLGSKVFLEIWVKVQKNWRDKEHYLQDYGFDREEY
4KYU Chain:B ((6-157))
---------VAIVGRPNVGKSTIFNRIA-----------------IYSSAEW-NYDFNLIDTGGI-----DIGDEPFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKLD--NTEMRANIYDFYS--LGFGEPYPISGTHGLGLGDLLD----------------------------------------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4KYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113011 for 997 contacts (-113.4/contact) +
2D Compatibility (PS) -14114 + (NN) -10390 + (LL) 13116
1D Compatibility (HY) -10400 + (ID) 2450
Total energy: -137249.0 ( -137.66 by residue)
QMean score : 0.612
(partial model without unconserved sides chains):
PDB file :
Tito_4KYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KYU-query.scw
PDB file :
Tito_Scwrl_4KYU.pdb
: