Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTT------SSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSREL---------------KEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSSVYQEAMNQPGHL---RLFVTRIMQ-EFESDTFFPEID-----LEKYKLLPEYPGVLSEIQEEKGIKYKFEVYEKKD
3RG9 Chain:A ((23-240))
RPPLRPFSVVVASDEKGGIGDGGTIPWEI-PEDMQYFRRVTTNLRGKNVKPSPSKRNAVVMGRKTWDSLPPKFRPLSNRLNVVLSRSATKEQLLAGIPDPIKRAEAANDVVAVNGGLEDALRMLVSKEHTSSIETVFCIGGGTIYKQALCAPCVNVLQAIHRTVVRPASNSCSVFFDIPAAGTKTPEGLELVRESITDERVSTGAGGKKYQFEKLVPRN
General information:
TITO was launched using:
RESULT:
Template:
3RG9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86695 for 1400 contacts (-61.9/contact) +
2D Compatibility (PS) -20384 + (NN) -6587 + (LL) 176
1D Compatibility (HY) -9200 + (ID) 3000
Total energy: -125690.0 ( -89.78 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_3RG9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RG9-query.scw
PDB file :
Tito_Scwrl_3RG9.pdb
: