Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIISASTDYRAAAQRKLPPFLFHYIDGGAYAEYTLRRNVEDLSAIALRQRVLKNMSELSLETRLFDETLAMPVALAPVGLTGMYARRGEVQAARAAAAKGVPFTLSTVSVCPIEEVAPAIDRPMWFQLYVLKDRGFMRNALERAKAAGVTTLVFTVDMPVPGARYRDAHSGMSGPYAAPRRILQAMTHPAWAWDVGLLGKPHDLGNISAYRGNPTGLEDYIGWLGANFDPSISWKDLEWIREFWDGPMVIKGILDPEDARDAVKFGADGIVVSNHGGRQLDGVLSSARALPAIADAVKGELAILADSGIRTGLDVVRMIALGADSVLLGRAFVYALAAAGEAGVRNLLELIEKEMRVAMVLTGAKSIGEISADSLVRELGA |
2A85 Chain:A ((10-356)) | -------DYRKLAQKRLPKMVYDYLEGGAEDEYGVKHNRDVFQQWRFKPKRLVDVSRRSLQAEVLGKRQSMPLLIGPTALNGALWPKGDLALARAATKAGIPFVLSTASNMSIEDLARQCDGDLWFQLYVIH-REIAQGMVLKALHTGYTTLVLTTDVAVNGYRERDLHNRFKIPPFLTLKNFEGI----------------DLGKM-----DKANLEMQAALMSRQMDASFNWEALRWLRDLWPHKLLVKGLLSAEDADRCIAEGADGVILSNHGGRQLDCAISPMEVL-AQSVAKTGK-PVLIDSGFRRGSDIVKALALGAEAVLLGRATLYGLAARGETGVDEVLTLLKADIDRTLAQIGCPDITSLSPDYLQNE--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A85.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -227909 for 3067 contacts (-74.3/contact) +
2D Compatibility (PS) -37592 + (NN) -12494 + (LL) 1648
1D Compatibility (HY) -27600 + (ID) 6550
Total energy: -310497.0 ( -101.24 by residue)
QMean score : 0.502
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