Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MASLQQSRRLVTEIPGPASQALTHRRAAAVSSGVGVTLPVFVARAGGGIVEDVDGNRLIDLGSGIAVTTIGNSSPRVVDAVRTQVAEFTHTCFMVTPYEGYVAVAEQLNRITPGSGPKRSVLFNSGAEAVENAVKIARSYTGKPAVVAFDHAYHGRTNLTMALTAKSMPYKSGFGPFAPEIYRAPLSYPYRDGLLDKQLATNGELAAARAIGVIDKQVGANNLAALVIEPIQGEGGFIVPAEGFLPALLDWCRKNHVVFIADEVQTGFARTGAMFACEHEGPDGLEPDLICTAKGIADGLPLSAVTGRAEIMNAPHVGGLGGTFGGNPVACAAALATIATIESDGLIERARQIERLVTDRLTTLQAVDDRIGDVRGRGAMIAVELVKSGTTEPDAGLTERLATAAHAAGVIILTCGMFGNIIRLLPPLTIGDELLSEGLDIVCAILADL |
| 4ATP Chain:F ((12-452)) | ---IEQKRNINGAFPGPKSQALAERRSAVVAAGVASGVPVYVEDADGGIIRDVDGNSFIDLGSGIAVTSVGASDPAVVAAVQEAAAHFTHTCFMVTPYEGYVAVTEQLNRLTPGDHAKRTVLFNSGAEAVENAVKVARLATGRDAVVAFDHAYHGRTNLTMALTAKAMPYKTNFGPFAPEVYRMPMSYPFR----EENPEITGAEAAKRAITMIEKQIGGDQVAAIIIEPIQGEGGFIVPAEGFLPALSEWAKEKGIVFIADEVQSGFCRTGEWFAVDHE---GVVPDIITMAKGIAGGLPLSAITGRADLLDAVHPGGLGGTYGGNPVACAAALAAIDTMEQHDLNGRARHIEELALGKLRELA---SVVGDIRGRGAMLAIELVQPGSKEPNAELTKAVAAACLKEGVIILTCGTYGNVIRLLPPLVISDELLIDGLEVLAAAI--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4ATP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -270133 for 3919 contacts (-68.9/contact) +
2D Compatibility (PS) -47806 + (NN) -29184 + (LL) 544
1D Compatibility (HY) -45200 + (ID) 13900
Total energy: -405679.0 ( -103.52 by residue)
QMean score : 0.586
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