Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTPVLWRLLRTYRWRLAAAMGLQALAGLCSLLPWMLLAWLAEPLARGQAQPALLALVLLAVLAWLGCQALAAHLAHRVDADLCNDLRLRLLAHLQRLPLDWFGRQGPDGVARLVEQDVRALHQLIAHAPNDLSNLLVVPLVALLWLAWLHPWLLLFCLLPLVLAAAGFLLLRSARYRDLVLRRNAALERLSADYGEFAHNLLLARQYPGAGIQQGAEASAAAFGEAFGAWVKRVGHLAALVYVQLSTPWLLAWVLLGALALDALGVPLALGQACAFLLLLRALAAPVQALGHGGDALLGARAAAERLQQVFDQAPLAEGRSTREPVDGAVALHGLGHAY-EGVEVLADIDLELEDGSLVALVGPSGSGKSTLLHLLARYMDAQRGELEVGGLALKDMPDAVRHRHIALVGQQAAALEISLADNIALFRPDADLQEIRQAARDACLDERIMALPRGYDSVPG-RDLQLSGGELQRLALARALLSPASLLLLDEPTSALDPQTARQVLRNLRERGGGRTRVIVAHRLAEVSDADLILVLVAGRLVERGEHAALLAADGAYARLWREQNGAEVAA |
3NH9 Chain:A ((52-292)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GRIEFENVHFSYADGRETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRLSTVVNADQILVIKDGCIVERGRHEALLSRGGVYADMWQLQQGQ---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NH9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140392 for 1919 contacts (-73.2/contact) +
2D Compatibility (PS) -26061 + (NN) -10419 + (LL) 30688
1D Compatibility (HY) -19600 + (ID) 4950
Total energy: -170734.0 ( -88.97 by residue)
QMean score : 0.478
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