Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLLFEPLSLRQITLPNRIAVSPMCQYSA--QEGLANDWHLVHLGSRAVGGAGLVIVEATAVLPEGRITADDLGIWSDAHVEPLHRITRFIESQGAVAGVQLAHAGRKASTWRPWLGKHGSVPIGDGGWIPVAPSAIPFDPQHTTPEALSEAQIEALVQAFVRAAERSLAAGFKVAEVHAAHGYLLHQFLSPLSNQRRDQYGGCFENRIRLLLQVTAAVRKAWPQELPLFVRLSATDWVEDGWNPDETVELARHLKDLGVDLIDVSSGGTAANAEIPVGPGYQTEFAERVKKEAGIASGTVGMITEPVQAEHILRTGQADLILLARELLRDPYWPLHAADELRNEQMPWPPQYLRAAHRSTPPRKSLEMQ |
3GR8 Chain:A ((3-337)) | -TMLFSPYTIRGLTLKNRIVMSPMCMYSCDTKDGAVRTWHKIHYPARAVGQVGLIIVEATGVTPQGRISERDLGIWSDDHIAGLRELVGLVKEHGAAIGIQLAHAGRKSQ-----------VP----GEI-IAPSAVPFDDSSPTPKEMTKADIEETVQAFQNGARRAKEAGFDVIEIHAAHGYLINEFLSPLSNRRQDEYGGSPENRYRFLGEVIDAVREVW--DGPLFVRISASDYHPDGLTAKDYVPYAKRMKEQGVDLVDVSSGAIVP-ARMNVYPGYQVPFAELIRREADIPTGAVGLITSGWQAEEILQNGRADLVFLGRELLRNPYWPYAAAREL-GAKISAPVQYERG-------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3GR8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -208276 for 3079 contacts (-67.6/contact) +
2D Compatibility (PS) -35793 + (NN) -20417 + (LL) 864
1D Compatibility (HY) -31200 + (ID) 8850
Total energy: -303672.0 ( -98.63 by residue)
QMean score : 0.582
|
|
|