Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTPVLWRLLRTYRWRLAAAMGLQALAGLCSLLPWMLLAWLAEPLARGQAQPALLALVLLAVLAWLGCQALAAHLAHRVDADLCNDLRLRLLAHLQRLPLDWFGRQGPDGVARLVEQDVRALHQLIAHAPNDLSNLLVVPLVALLWLAWLHPWLLLFCLLPLVLAAAGFLLLRSARYRDLVLRRNAALERLSADYGEFAHNLLLARQYPGAGIQQGAEASAAAFGEAFGAWVKRVGHLAALVYVQLSTPWLLAWVLLGALALDALGVPLALGQACAFLLLLRALAAPVQALGHGGDALLGARAAAERLQQVFDQAPLAEGRSTREPVDGAVALHGLGHAYEGVEVLADIDLELEDGSLVALVGPSGSGKSTLLHLLARYMDAQRGELEVGGLAL--KDMPDAVRHRHIALVGQQAAAL-EISLADNIALFRPDADLQEIRQAARDACLDERIMALPRGYDSVPGRDL------QLSGGELQRLALARALLSPASLLLLDEPTSALDPQTARQVLRNLRERGG-GRTRVIVAHRLAEVSD-ADLILVLVAGRLVERGEHAALLAADGAYARLWREQNGAEVAA |
3C41 Chain:J ((4-226)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITL----APMK-VRKWPREKA-EAKAMEL---LDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLF-------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3C41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -151751 for 1693 contacts (-89.6/contact) +
2D Compatibility (PS) -22208 + (NN) -4676 + (LL) 31812
1D Compatibility (HY) -20000 + (ID) 3650
Total energy: -170473.0 ( -100.69 by residue)
QMean score : 0.411
|
|
|