Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTPVLWRLLRTYRWRLAAAMGLQALAGLCSLLPWMLLAWLAEPLARGQAQPALLALVLLAVLAWLGCQALAAHLAHRVDADLCNDLRLRLLAHLQRLPLDWFGRQGPDGVARLVEQDVRALHQLIAHAPNDLSNLLVVPLVALLWLAWLHPWLLLFCLLPLVLAAAGFLLLRSARYRDLVLRRNAALERLSADYGEFAHNLLLARQYPGAGIQQGAEASAAAFGEAFGAWVKRVGHLAALVYVQLSTPWLLAWVLLGALALDALGVPLALGQACAFLLLLRALAAPVQALGHGGDALLGARAAAERLQQVFDQAPLAEGRSTREPVDGAVALHGLGHAYEGVEVLADIDLELEDGSLVALVGPSGSGKSTLLHLLARYMDAQRGELEVGGLALKDMPDAVRHRHIALVGQQAAALEISLADNIAL-FRPDADLQEIRQAARDACLDERIMALPRGYDSVPGRD-LQLSGGELQRLALARALLSPASLLLLDEPTSALDPQTARQVLRNLRERGGGRTRVIVAHRLAEVSDADLILVLVAGRLVERGEHAALLAADGAYARLWREQNGAEVAA |
5DGX Chain:A ((14-252)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KVDGNVTIKDLSFAFGEHKVLSGVSVDIKAGQTVAFVGKSGSGKTTLTSIISRFYTQHEGEILLDGVDTRELTLENLRSHLSIVSQNVHLFDDTVYNNIAFG---EVSEEEVIDALKRANAYEFVQELSDGINTNIGNNGSKLSGGQRQRISIARALLKNAPVLIFDE----------------LESLTKSCTTIVIAHRLSTVENADKIVVMDGGRVVESGKHQELLEQGGLYTRLYQ--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5DGX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -145609 for 1745 contacts (-83.4/contact) +
2D Compatibility (PS) -23320 + (NN) -7808 + (LL) 31832
1D Compatibility (HY) -17600 + (ID) 3750
Total energy: -166255.0 ( -95.28 by residue)
QMean score : 0.533
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