Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGRISDRDIAAIREGARIEDVVGDYVQLRRAGADSLKGLCPFHNEKSPSFHVRPNHGHFHCFGCGEGGDVYAFIQKIEHVSFVEAVELLADRIGHTISYTGAATSVQRDRGSRSRLLAANAAAAAFYAQALQSDEAAPARQYLTERSFDAAAARKFGCGFAPSGWDSLTKHLQRKGFEFEELEAAGLSRQGRHGPMDRFHRRLLWPIRTSAGEVVGFGARRLFDDDAMEAKYVNTPETLLYKKSSVMFGIDLAKRDIAKGHQAVVVEGYTDVMAMHLAGVTTAVASCGTAFGGEHLAMLRRLMMDDSFFRGELIYVFDGDEAGRAAALKAFDGEQKLAGQSFVAVAPDGMDPCDLRLKCGDAALRDLVARRTPLFEFAIRAAIAEMDLDSAEGRVAALRRCVPMVGQIKDPTLRDEYARQLAGWVGWADVAQVIGRVRGEAKRTKHPRLGRLGSTTIARAAQRPTAGPPTELAVRPDPRDPTLWPQREALKSALQYPALAGPVFDALTVEGFTHPEYAAVRAAIDTAGGTSAGLSGAQWLDMVRQQTTSTVTSALISELGVEAIQVDDDKLPRYIAGVLARLQEVWLGRQIAEVKSKLQRMSPIEQGDEYHALFGDLVAMEAYRRSLLEQASGDDLTA |
2AU3 Chain:A ((3-405)) | -----MSSDIDELRREIDIVDVISEYLNLEKVGS-NYRTNCPFHPDDTPSFYVSPSKQIFKCFGCGVGGDAIKFVSLYEDISYFEAALELAKRYGKKLDLEKIS--------KDEKVYVALDRVCDFYRESLL--KNREASEYVKSRGIDPKVARKFDLGYAPSS-EALVKVLKENDLLEAYLETKNLLSPTKGVYRDLFLRRVVIPIKDPRGRVIGFGGRRIVED--KSPKYINSPDSRVFKKGENLFGLYEAKEYIKEEGFAILVEGYFDLLRLFSEGIRNVVAPLGTALTQNQANLLSKFTK-------KVYILYDGDDAGRKAMKSAIPLLLSAGVEVYPVYLPEGYDPDEFIKEFGKEELRRLINSSGELFETLIKTARENLE--------EKTREFRYYLGFISDGVRRFALASEFHTKYKVPMEI-LLMKI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AU3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -225515 for 3325 contacts (-67.8/contact) +
2D Compatibility (PS) -44083 + (NN) -22244 + (LL) 14796
1D Compatibility (HY) -31600 + (ID) 6150
Total energy: -314796.0 ( -94.68 by residue)
QMean score : 0.585
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