Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLFERMRALPEDCRAALRRASAWAVLAALLDAACGVLLVPLVEAWFAEGALPWRWVAALLGLSLAQALLQYLALRRGFAAGGSLAAGLVRSLVARLPRLAPPALRRVAPAEGLLRGPVMQAMGIPAHLLGPLIAALVTPLGVILGLFLIDPSIALGLLLAGAFLAALLRWSGRRNLAAEDARLAAERDAARQLQAFAERQPLLRAAQRESVARQGLEEALRSLHRSTLDLLRRSLPSGLGFALAVQAAFAFALLGGAWAVERQWLDGARLVAVLVLLVRFIEPLAQLTHLDQALRGAWQALDTLLRVFALAPLRSPEPGERPHDASLAAEAVELRLEDGRALLEDISLRLEPGSLNVLVGPSGAGKSSLLALLGRLYDVDAGRVLLGGV---DIRRLSETTLAASRNLVFQDNGLF-RGSVAWNLRMA--------RADADLEALREAARAVGLLEEIEAWPQGWDSDVGPGGALLSGGQRQRLCLARGLLSTAPLLLLDEPTASLDAASEAQVLRSLLGL-RGRRTLLVVTHRPALARQ-ADQVLLLEEGRLRLSGLHADLLVRDDWYAGFVGLAGEESSATVVDR |
4U00 Chain:A ((19-228)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALRE--IRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKAL-ELLERVGILDQARKYP-----------AQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTR---------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4U00.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -99144 for 1519 contacts (-65.3/contact) +
2D Compatibility (PS) -21867 + (NN) -11725 + (LL) 32020
1D Compatibility (HY) -17200 + (ID) 3800
Total energy: -121716.0 ( -80.13 by residue)
QMean score : 0.453
|
|
|