Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQQHDYVIGKNAVIETLKSDRKLYKLWMAENTVKGQAQQVIELAKKQGITIQYVPRK-KLDQMVTG-QHQGVVAQVAAYEYAELDDLYKAAEEKNEQPFFLILDELEDPHNLGSIMRTADAVGAHGIVIPKRRAVGLTTTVAKASTGAIEHIPVARVTNLARTLEEMKERGIWVVGTDASAREDFRNM---DGNMPLALVIGSEGKGMGRLVKEKCDFLIKLPMA----GKVTSLNASVAAGLLMYEVYRKRNPVGE
2I6D Chain:A ((24-257))
-REQAFAVEGPKLVGEMLPFYRCR--MLVGTAAML----RAV--STPHDAEVVELPESFDFKRISTQTTPQPLMAVFDLPAE-P-EP--------VVEGLTLLLDGVQDPGNVGTILRTADWFGIRHVWLGTGSADVFSPKVVQASMGALARVQPTPLKNTVDTLAYFRRQGIPVYGAFLDGQ-SLYEAPLPNFTEPAILVLGSEGRGISPEVAAEITDRLTIPASGLSV---ESLNVAIATAILCSEWRRRS-----
General information:
TITO was launched using:
RESULT:
Template:
2I6D.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131404 for 1788 contacts (-73.5/contact) +
2D Compatibility (PS) -23969 + (NN) -5434 + (LL) 2160
1D Compatibility (HY) -11200 + (ID) 2700
Total energy: -172547.0 ( -96.50 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_2I6D.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I6D-query.scw
PDB file :
Tito_Scwrl_2I6D.pdb
: