Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAARKCGAPPIAADGSTRRPDCVTAVRTQARAPTQHYAESVARRQRVLTITAWLAVVVTGSFALMQLATGAGGWYIALINVFTAVTFAIVPLLHRFGGLVAPLTFIGTAYVAIFAIGWDVGTDAGAQFFFLVAAALVVLLVGIEHTALAVGLAAVAAGLVIALEFLVPPDTGLQPPWAMSVSFVLTTVSACGVAVATVWFALRDTARAEAVMEAEHDRSEALLANMLPASIAERLKEPERNIIADKYDEASVLFADIVGFTERASSTAPADLVRFLDRLYSAFDELVDQHGLEKIKVSGDSYMVVSGVPRPRPDHTQALADFALDMTNVAAQLKDPRGNPVPLRVGLATGPVVAGVVGSRRFFYDVWGDAVNVASRMESTDSVGQIQVPDEVYERLKDDFVLRERGHINVKGKGVMRTWYLIGRKVAADPGEVRGAEPRTAGV |
4P2X Chain:B ((53-242)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ERNIIADKYDEASVLFADIV---------------RFLDRLYSAFDELVDQHGLEKIKVSGDSYMVVSGVPRPRPDHTQALADFALDMTNVAAQLKD-RGNPVPLRVGLATGPVVAGVVGSRRFFYDVWGDAVNVASRMEST--VGQIQVPDEVYERLKDDFVLRERGHINVKGKGVMRTWYLIGRKVAA--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4P2X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -80570 for 1038 contacts (-77.6/contact) +
2D Compatibility (PS) -19146 + (NN) -14743 + (LL) 22176
1D Compatibility (HY) -25200 + (ID) 8550
Total energy: -126033.0 ( -121.42 by residue)
QMean score : 0.669
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