Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VRSLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKEAPKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTEYPGVPADIQEEDGIQYKFEVYQKSVLAQ
3NXT Chain:A ((1-185))
VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKN----
General information:
TITO was launched using:
RESULT:
Template:
3NXT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -118276 for 1395 contacts (-84.8/contact) +
2D Compatibility (PS) -20098 + (NN) -8706 + (LL) 632
1D Compatibility (HY) -24000 + (ID) 6950
Total energy: -177398.0 ( -127.17 by residue)
QMean score : 0.784
(partial model without unconserved sides chains):
PDB file :
Tito_3NXT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NXT-query.scw
PDB file :
Tito_Scwrl_3NXT.pdb
: