Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQASSTDTPFVIAGRTYGSRLLVGTGKYKDLDETRRAIEASGAEIVTVAVRRTNIGQNPDEPNLLDVIPPDRYTILPNTAGCYDAVEAVRTCRLARELLDGHNLVKLEVLADQKTLFPNVVETLKAAEQLVKDGFDVMVYTSDDPIIARQLAEIGCIAVMPLAGLIGSGLGICNPYNLRIILEEAKV--PVLVDAGVGTASDAAIAMELGCEAVLMNTAIAHAKDPVMMAEAMKHAIVAGRLAYLAGRMPRKLYASASSPLDGLID
2HTM Chain:A ((13-241))
-------------------SRLILGSGKYEDFGVMREAIAAAKAEVVTVSVRRVE--------GLLEAL--EGVRLLPNTAGARTAEEAVRLARLGR-LLTGERWVKLEVIPDPTYLLPDPLETLKAAERLIEEDFLVLPYMGPDLVLAKRLAALGTATVMPLAAPIGSGWGVRTRALLELFAREKASLPPVVVDAGLGLPSHAAEVMELGLDAVLVNTAIAEAQDPPAMAEAFRLAVEAGRKAYLAGPMRP---------------
General information:
TITO was launched using:
RESULT:
Template:
2HTM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -175335 for 1881 contacts (-93.2/contact) +
2D Compatibility (PS) -24653 + (NN) -14688 + (LL) 1120
1D Compatibility (HY) -18400 + (ID) 5700
Total energy: -237656.0 ( -126.35 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_2HTM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HTM-query.scw
PDB file :
Tito_Scwrl_2HTM.pdb
: