Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAE-KQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR |
| 3O50 Chain:B ((7-260)) | -----EDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATR--VYLILEYAPLGTVYRELQKLSK----FDEQRTATYITELANALSYCHSKR-----VIHRDIKPENLLLGSAGELKIADF-------------TTLCGTLDYLPPEMIE----DEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEF-TFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSK------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3O50.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -136220 for 1835 contacts (-74.2/contact) +
2D Compatibility (PS) -25891 + (NN) -17536 + (LL) 14924
1D Compatibility (HY) -18400 + (ID) 4200
Total energy: -187323.0 ( -102.08 by residue)
QMean score : 0.394
|
|
|