Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLKIAIVGLPNAGKSTLFNRILGRKAAVVSNIPGITRDRQEGVGRISDLELKIIDTGGWNDQTNFFLQIVEQIEFSLFSADIIFFLVDAKVQNEQNKEFAKWLKRRTNKSVILIANKCESYKSENIDYLQFFDFIGPVYISAEHNLGMVDLYNALAGVIDSSTNFSSVIPKPLPVIKVAGTGIQEKNEQISTLHAENQSNQPNRLRVAIIGRPNVGKSTFLNSLLSENRLITSSEPGTTRDSVDITYN-HNGKLITLIDTAGI--RRRANLIDNLELKFVKKSMESIKRSHVVVLMLDSLLGIKQQDLSIGEAAIKG-GKGIIIVLNKWDLINK-DDRSRLIKFVRQQ--EITRLFLEVPTVTISALKGIRCSDVIDKCLEVNEFLNKKISTAKVNKWLVDALGRHPHPFVKGRAIRMKYIAQIGTKPPAFSLTCNVPEGVDESYKRYLTNDLRKNFFIDGIPVRLLLKKNKNPYVK |
| 3R9W Chain:A ((12-177)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VAIVGKPNVGKSTLLNNLLGTKVSIISPKAGTTRMRVLGVKNIPNEAQIIFLDTPGIYEPKKSDVLGHSMVEIAKQSLEE---ADVILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHKKHPELTEI------VPISALKGANLDELVKTILKYLPEGEPLFPEDMITDLPLRLLAAEIVREKAMMLTREEVPTSIAVKINEIKPGDANPNMLVIKGEIIVDRENLKPIIIGKKGQRLKEIGKRARQEL |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3R9W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -115590 for 1193 contacts (-96.9/contact) +
2D Compatibility (PS) -17163 + (NN) -5770 + (LL) 14948
1D Compatibility (HY) -14400 + (ID) 2950
Total energy: -140925.0 ( -118.13 by residue)
QMean score : 0.625
|
|
|