Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRAATYLSANELSLTDKAKPQVIKPTDAVVRLVKTTICGTDLHILGGDVPACKPGTTLGHEGIGIVEEVGSAVNHFKVGDKVIISCVTACNTCYYCKHQLPSHCEDGGW-----ILGHLIEGTQAEYVHIPHADGSLYHAPEGVCDDALVMLSDILPTSYEIGVLPSHIKPGDTVCIVGAGAIGLSALLTAQFYSPAKIIMVDLSQKRLEASKKFGATHTILSTSTQEVKEEIDKITKGRGVDVVLECVGYPATFDICQNVVSIGGHIANVGVHGKP-VEFNLQDLWIKNITLNTGLVNANT-TEMLLEVLETGKIDATQLVTHHFKLSEIEEAYKVFKAAEENNTLKVIIENDITPA |
4CPD Chain:B ((1-345)) | MRAVVFENKERVAVKEVNAPRLQHPLDALVRVHLAGICGSDLHLYHGKIPVL-PGSVLGHEFVGQVEAVGEGIQDLQPGDWVVGPFHIACGTCPYCRRHQYNLCERGGVYGYGPMFGNL-QGAQAEILRVPFSNVNLRKLPPNLSPERAIFAGDILSTAYG-GLIQGQLRPGDSVAVIGAGPVGLMAIEVAQVLGASKILAIDRIPERLERAASLGAIP--INAEQENPVRRVRSETNDEGPDLVLEAVGGAATLSLALEMVRPGGRVSAVGVDNAPSFPFPLASGLVKDLTFRIGLANVHLYIDAVLALLASGRLQPERIVSHYLPLEEAPRGYELFDRKEALKVLLVVR------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4CPD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -221528 for 3039 contacts (-72.9/contact) +
2D Compatibility (PS) -36302 + (NN) -8748 + (LL) 996
1D Compatibility (HY) -26800 + (ID) 5600
Total energy: -297982.0 ( -98.05 by residue)
QMean score : 0.527
|
|
|