Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSITKEFDTIAAISTPLGEGAIGIVRISGTDALKIASKIYRGKDLSAIQSHTLNYGHIVDPDKNEILDEVMLGVMLAPKTFTREDVIEINTHGGIAVTNEILQLILRHGARMAEPGEFTKRAFLNGRVDLTQAEAVMDLIRAKTDKAMDIAVKQLDGSLKTLINNTRQEILNTLAQVEVNIDYPEYDDVEEMTTTLMREKTQEFQALMENLLRTARRGKILREGLSTAIIGRPNVGKSSLLNNLLREEKAIVTDIEGTTRDVIEEYVNIKGVPLKLVDTAGIRDTDDIVEKIGVERSKKALEEADLVLLVLNSSEPLTLQDRSLLELS--KESNRIVLLNKTDLPQKIEVNE-L----PENVIPISVLENENIDKIEERINDIFFDNAGMVEHDATYLSNARHISLIEKAVDSLKAVNEGLELGMPVDLLQVDMTRTWEILGEITGDAAPDELITQLFSQFCLGK |
2DYK Chain:A ((2-160)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HKVVIVGRPNVGKSSLFNRLLKKRS-----------DLKEGVVETDRGRFLLVDTGGLWSGDKWEKKI-QEKVDRALEDAEVVLFAVDGRAELTQADYEVAEYLRRKGKPVILVATKVDDPKHELYLGPLYGLGFGDPIPTSSEHARGLEELLEAIWERLP-------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2DYK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -48526 for 1098 contacts (-44.2/contact) +
2D Compatibility (PS) -15072 + (NN) -2422 + (LL) 23944
1D Compatibility (HY) -7200 + (ID) 2350
Total energy: -51626.0 ( -47.02 by residue)
QMean score : 0.495
|
|
|