Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTTAAVLFEAGKPFELMELDLDGPGPGEVLVKYTAAGLCHSDLHLTDGDLPPRFPIVGGHEGSGVIEEVGAGVTRVKPGDHVVCSFIPNCGTCRYCCTGRQNLC-DMGATILEGCMPDGSFRFHSQGTDFGAMCMLGTFAERATVSQHSVVKVDDWLPLETAVLVGCGVPSGWGTAVNAGNLRAGDTAVIYGVGGLGINAVQGATAAGCKYVVVVDPVAFKRETALKFGATHAF--ADAASAAAKVDELTWGQGADAALILVGTVDDEVVSAATAVIGKGGTVVITGLADPAKLTVHVSGTDLTLHEKTIKGSLFGSCNPQYDIVRLLRLYDAGQLMLDELVTTTYNLEQVNQGYQDLRDGKNIRGVIVH |
5CDU Chain:B ((7-372)) | IKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIVGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQNLSMN---PMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFDLLRSGESIRTIL-- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 5CDU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -261920 for 3461 contacts (-75.7/contact) +
2D Compatibility (PS) -38675 + (NN) -7339 + (LL) 228
1D Compatibility (HY) -24800 + (ID) 6050
Total energy: -338556.0 ( -97.82 by residue)
QMean score : 0.447
|
|
|