Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LVLGKTLGEGEFGKVVKATAFHL-KGRAGYTT-VAVKMLKENASPSELRDLLSEFNVLKQV-NHPHVIKLYGACSQDGPLLLIVEYAKYGSLRGFLRESRKVGPGYLGSGGSRNSSSLDHPDERALTMGDLISFAWQISQGMQYLAEMKLVHRDLAARNILVAEGRKMKISDFGLSRDVYEEDSYVKRSQGRIPVKWMAIESLFDHIYTTQSDVWSFGVLLWEIVTLGGNPYPGIPPERLFNLLKTGHRMERPDNCSEEMYRLMLQCWKQEPDKRPVFADISKDLEKMMVKRRDYL |
4NKA Chain:A ((22-303)) | LVLGKPLGE----QVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPP--------------------EEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFG-------IDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVA------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4NKA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -167317 for 1949 contacts (-85.8/contact) +
2D Compatibility (PS) -27482 + (NN) -9974 + (LL) -16
1D Compatibility (HY) -31600 + (ID) 7250
Total energy: -243639.0 ( -125.01 by residue)
QMean score : 0.562
|
|
|