Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKLIQFLFIAVVLFLVEYVLINQAAILFLVTSGIIQLCGVIIAIRLLLFDQRNTSSKVAWVAVIFILPVLGTISYLVFGRNPATRKFSTAQVKEKTKLINAIHAIPNNTNEKLPRLSKRIAHLTSIEPIKGNKIEILTNGEETFPVLLDALRKAENHIHIQYYIFKTDAISTEIRDILVEK--AKSGVEVRFMFDGLGSSKLGKAFLAPLKEAGVSI--HAFDPIA-S------PWIVRTANLRNHRKIVVIDGQIGFTGGLNIGEEYRSNTPDFRVWRDTHIKITGQ-AVIELQESFLNDWVYMENQAG-AA---DG---FIS-ESGS---KQYFSPV--DMGDEWAQVIYGGPYD----KEKWVRDSMLDLIDSAKESVWIVSPYFVPDEESLAVIRRVAMSGVDVRVIIPGKGDRGI---------SFH----GSNAY-------VKTMIEAG---AKMYAYADDSFVHAKAMLVDGTRAAIGTANFDVRSFRLNHELMVFLYDES-EAMHHLKRDFKKDFEDSRLF----TMKDMEN-KPLLTRIKEVLSSLLSPIL |
3HSI Chain:A ((13-446)) | -------------------------------------------------------------------------------------------------------------------------LNNLPFLALQAEQIEFLGSSAEFKTQIIELIRNAKKRIYVTALYWQKDEAGQEILDEIYRVKQENPHLDVKVLIDWHRAQRNLL-----ATNADWYCEQRQTYQLPDDPNFFGVPINTREVFGVLHVKGFVFDDTVLYSGA-SINNVYLHQF--EKYRYDRYQKITHAELADSMVNFINDYLLDFSAVYPLDVTNRPRTKEIRGNIRAYRKDLAQNGEYSLKSAVKLPNVLSVSPLFGLGASGNELNQVIEDLFLQVQKKLVICTPYFNFPRTLQHKIATLLENGKRVEIIVGDKVANDFYIPPEQPFKMAGALPYLYESNLRRFCEKFETQIESGQLVVRLWRDG-DNTYHLKGVWVDDRYILLTGNNLNPRAWRLDAENGLLIYDPQQQLLAQVEKEQNQIRQHTKVLKHYTELEELNQYPEPVQKLLKKFARIK---- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3HSI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -28670 for 2832 contacts (-10.1/contact) +
2D Compatibility (PS) -39624 + (NN) -8138 + (LL) 12692
1D Compatibility (HY) -6800 + (ID) 1850
Total energy: -72390.0 ( -25.56 by residue)
QMean score : 0.284
|
|
|