Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQASSTDTPFVIAGRTYGSRLLVGTGKYKDLDETRRAIEASGAEIVTVAVRRTNIGQNPDEPNLLDVIPPDRYTILPNTAGCYDAVEAVRTCRLARELLDGHNLVKLEVLADQKTLFP---NVVETLKAAEQLVKDGFDVMVYTSDDPIIARQLAEIGCIAVMPLAGLIGSGLGICNPYNLRIILEE-AK-VPVLVDAGVGTASDAAIAMELGCEAVLMNTAIAHAKDPVMMAEAMKHAIVAGRLAYLAGRMPRKLYASASSPLDGLID
2HTM Chain:A ((1-241))
-------MDTWKVGPVELKSRLILGSGKYEDFGVMREAIAAAKAEVVTVSVRRVE--------GLLEALE--GVRLLPNTAGARTAEEAVRLARLGRLL-TGERWVKLEVIPDPTYLLPDPLETLKAAERLIE---EDFLVLPYMGPDLVLAKRLAALGTATVMPLAAPIGSGWGVRTRALLELFAREKASLPPVVVDAGLGLPSHAAEVMELGLDAVLVNTAIAEAQDPPAMAEAFRLAVEAGRKAYLAGPMRP---------------
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) -190926 for 1967 contacts (-97.1/contact) +
2D Compatibility (PS) -25667 + (NN) -15320 + (LL) 1280
1D Compatibility (HY) -17200 + (ID) 5300
Total energy: -253133.0 ( -128.69 by residue)
QMean score : 0.512
(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
: