Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MQYSEIMIRYGELSTKKKNRMRFINKLKNNMEHVLSIYPDVSVKTDRDRGHVYLNGTDYHEVAESLKEIFGIQAFSPSFKVEKNVDTLVKAVQEIMTSVYKDGMTFKITAKRSDHSFELDSRALNHTLGDAVFSVLPNIKAQMKQPDINLKVEIRDEAAYISYENIRGAGGLPVGTSGKGMLMLSGGIDSPVAGYLALKRGVDIEAVHFASPPYT-SPGALKKAHDLTRKLTKFGGNIQFIEVPFTEIQEE-IKEKAPEAYLMTLTRRFMMRITDRIRENRNGLVIINGESLGQVASQTLESMQAIN-------------AVTATPIIRPVVTMDKLEIIDIAQKIDTFDISIQPFEDCCTIFAPDRPKTNPKIKNTEQYEKRMDVEGLVERAVAGIMVTTIQPQADSDDVDDLIDDLL |
| 3VRH Chain:A ((47-217)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DERILVAVSGGKDSAVTAYVLKKLGYNIECLHINLGISGYSEKSEEYAKKQCKLI---G--APLHIVRIKEILGYGIGEVKTRRPPCSYCGLTKRYIMNKFAYDNGFDAIATGHNLDDEASFLLNNILHWNTEYLAKGGPILPQQGKFIKKVKPLYEVTEREVVAYALAVGLEYIVEECPYTTLDMKGVLNELEEKRPGTKFNFVRGYLKKKKLFEPKECKICRMPSSGDICAFCKFWGLKKE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VRH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -60785 for 1155 contacts (-52.6/contact) +
2D Compatibility (PS) -16969 + (NN) -6278 + (LL) 12044
1D Compatibility (HY) -5200 + (ID) 1600
Total energy: -78788.0 ( -68.21 by residue)
QMean score : 0.466
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