Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MPGKQSEEGPAEAGASEDSEEEGLGGLTLEELQQGQEAARALEDMMTLSAQTLVRAEVDELYEEVRPLGQGCYGRVLLVTHRQKGTPLALKQLPKPRTSLRGFLYEFCVGLSLGAHSAIVTAYGIGIESAHSYSFLTEPVLHGDLMAFIQPKVGLPQPAVHRCAAQLASALEYIHARGLVYRDLKPENVLVCDPACRRFKLTDFG-----HTRPRGTLLRLAGPPIPYTAPELCAPPPLPEGLPIQPALDAWALGVLLFCLLTGYFPWDRPLAEADPFYEDFLIWQASGQPRDRPQPWFGLAAAADALLRGLLDPHPRRRSAVIAIREHLGRPWRQREGEAEAVGAVEEEAGQ |
| 3TKI Chain:A ((7-261)) | -----------------------------------------------------------EDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMK-----NIKKEICINKMLN-HENVVKFYGHRREGNIQYLFL-EYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERD--NLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLK----RREFHAEP-VDVWSCGIVLTAMLAGELPWDQP-SDSCQEYSD---WK---EKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTS------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3TKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -139499 for 1848 contacts (-75.5/contact) +
2D Compatibility (PS) -26182 + (NN) -23814 + (LL) 5284
1D Compatibility (HY) -17200 + (ID) 4050
Total energy: -205461.0 ( -111.18 by residue)
QMean score : 0.341
|
|
|