Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MMFHKALITFIVLWFFLNGLGAYDFKHCQAFFKKASLQKGGVALKELPKGVYLYYSKTYPKHAKVIKSDPFIGLYLLQSA-PSEYVYTLRDLDKDALIRPMASIGAN-Q----ATEARLLVGQKGYDRYAQIS---QKT-QKNGVISNICYQMLGLGVGGN-------GF-IET----KFIKRFLNQQEPYYGDIGVRLEER-------------HKRLVVAQFDPFFPK--NPFLKNDEILAINDYKIHSLAEFEWVVSNLSYQSLAKVKIKRNHQIKEVTLKVNKRYGGFL-LKDTFLERYGIAL------------DERFIITKIGAHLPKGLDFLKLGDRILWVNHKSVSFNPKALREALS--TPKIELLVWRQGFEFYIKVR |
| 3PV2 Chain:A ((96-438)) | ------------------------------------------------------LQDGRRLKARLIGGDSETDLAVLKIDAKNLKSLVIGDSDKLEVGDFVVAIGNPFGLSQSATFGIVSALK-------NFIQTDAAINPGNS--GGALVNAKGELIGINTAILVGIGFAIPINMVKDVAQQIIKFGSIHRGLMGIFVQHLTPELAQAMGYPEDFQGALVSQVNPNSPAELAGLKAGDIITQINDTKITQATQVKTTISLLRVGSTVKIIVERDNKPLTLSAVVTDIKSHEQKLQSNNPFLYGLALRAFEQESPPHGNVIGVQVVGASENSAGWRAGIRPGDIIISANKKPVTDV-KSLQTIAQEKKKELLVQVLRGPGSMYLLVI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PV2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -96329 for 1894 contacts (-50.9/contact) +
2D Compatibility (PS) -28168 + (NN) 2319 + (LL) 5188
1D Compatibility (HY) -4800 + (ID) 2750
Total energy: -124540.0 ( -65.76 by residue)
QMean score : 0.281
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