Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VRSLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKEAPKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTEYPGVPADIQEEDGIQYKFEVYQKSVLAQ
3K45 Chain:A ((1-184))
VRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPRGAHFLAKSLDDALRLIEQPDLASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPEYPGVLSEVQEEKGIKYKFEVYEK-----
General information:
TITO was launched using:
RESULT:
Template:
3K45.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116941 for 1382 contacts (-84.6/contact) +
2D Compatibility (PS) -20021 + (NN) -10752 + (LL) 604
1D Compatibility (HY) -24800 + (ID) 7050
Total energy: -178960.0 ( -129.49 by residue)
QMean score : 0.757
(partial model without unconserved sides chains):
PDB file :
Tito_3K45.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K45-query.scw
PDB file :
Tito_Scwrl_3K45.pdb
: