Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTPVLWRLLRTYRWRLAAAMGLQALAGLCSLLPWMLLAWLAEPLARGQAQPALLALVLLAVLAWLGCQALAAHLAHRVDADLCNDLRLRLLAHLQRLPLDWFGRQGPDGVARLVEQDVRALHQLIAHAPNDLSNLLVVPLVALLWLAWLHPWLLLFCLLPLVLAAAGFLLLRSARYRDLVLRRNAALERLSADYGEFAHNLLLARQYPGAGIQQGAEASAAAFGEAFGAWVKRVGHLAALVYVQLSTPWLLAWVLLGALALDALGVPLALGQACAFLLLLRALAAPVQALGHGGDALLGARAAAERLQQVFDQAPLAEGRSTREPVDGAVALHGLGHAYEG---VEVLADIDLELEDGSLVALVGPSGSGKSTLLHLLARYMDAQRGELEVGGLALKDMPDAVRHRHIALVGQQAAALEISLADNIAL-FRPDADLQEIRQAARDACLDERIMALPRGYDSVPGRD-LQLSGGELQRLALARALLSPASLLLLDEPTSALDPQTARQVLRNLRERG--GGRTRVIVAHRLAEVSDADLILVLVAGRLVERGEHAALLAADGAYARLWREQNGAEVAA |
2IXE Chain:A ((13-250)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKGLVKFQDVSFAYPNHPNVQVLQGLTFTLYPGKVTALVGPNGSGKSTVAALLQNLYQPTGGKVLLDGEPLVQYDHHYLHTQVAAVGQEPLLFGRSFRENIAYGLTRTPTMEEITAVAMESGAHDFISGFPQGYDTEVGETGNQLSGGQRQAVALARALIRKPRLLILDNATSALDAGNQLRVQRLLYESPEWASRTVLLITQQLSLAERAHHILFLKEGSVCEQGTHLQLMERGGCY-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IXE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138517 for 1867 contacts (-74.2/contact) +
2D Compatibility (PS) -24805 + (NN) -8641 + (LL) 31364
1D Compatibility (HY) -18400 + (ID) 4100
Total energy: -163099.0 ( -87.36 by residue)
QMean score : 0.460
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