Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWR-LPADLKHFKAMTLG-------KPVIMGRKTWDSLG---RPLPGRLNLVVSRQAGLALEGAE-VFASLDAALARAEAWAQAEDADELMLIGGAQLYAEAL--PRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEH---AAADDA-PAYAFEVWERR
1KMV Chain:A ((1-185))
-VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKN
General information:
TITO was launched using:
RESULT:
Template:
1KMV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108259 for 1216 contacts (-89.0/contact) +
2D Compatibility (PS) -17285 + (NN) 1228 + (LL) 208
1D Compatibility (HY) -15200 + (ID) 3200
Total energy: -142508.0 ( -117.19 by residue)
QMean score : 0.477
(partial model without unconserved sides chains):
PDB file :
Tito_1KMV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KMV-query.scw
PDB file :
Tito_Scwrl_1KMV.pdb
: