Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDPVLVLVLTLSSLLLLSLWRQSFGRGKLPPGPTPLPIIGNTLQIYMKDIGQSIKKFSKVYGPIFTLYLGMKPFVVLHGYEAVKEALVDLGEEFSGRGSFPVSERVNKGLGVIFSNGMQWKEIRRFSIMTLRTFGMGKRTIEDRIQEEAQCLVEELRKSKGAPFDPTFILGCAPCNVICSIIFQNRFDYKDPTFLNLMHRFNENFRLFSSPWLQVCNTFPAIIDYFPGSHNQVLKNFFYIKNYVLEKVKEHQESLDKDNPRDFIDCFLNKMEQEKHNPQSEFTLESLVATVTDMFGAGTETTSTTLRYGLLLLLKHVDVTAKVQEEIERVIGRNRSPCMKDRSQMPYTDAVVHEIQRYIDLVPTNLPHLVTRDIKFRNYFIPKGTNVIVSLSSILHDDKEFPNPEKFDPGHFLDERGNFKKSDYFMPFSAGKRICAGEALARTELFLFFTTILQNFNLKSLVDVKDIDTTPAISGFGHLPPFYEACFIPVQRADSLSSHL |
1NR6 Chain:A ((9-470)) | --------------------------GKLPPGPTPFPIIGNILQIDAKDISKSLTKFSECYGPVFTVYLGMKPTVVLHGYEAVKEALVDLGEEFAGRGSVPILEKVSKGLGIAFSNAKTWKEMRRFSLMTLRNFGMGKRSIEDRIQEEARCLVEELRKTNASPCDPTFILGCAPCNVICSVIFHNRFDYKDEEFLKLMESLHENVELLGTPWLQVYNNFPALLDYFPGIHKTLLKNADYIKNFIMEKVKEHQKLLDVNNPRDFIDCFLIKMEQENN---LEFTLESLVIAVSDLFGAGTETTSTTLRYSLLLLLKHPEVAARVQEEIERVIGRHRSPCMQDRSRMPYTDAVIHEIQRFIDLLPTNLPHAVTRDVRFRNYFIPKGTDIITSLTSVLHDEKAFPNPKVFDPGHFLDESGNFKKSDYFMPFSAGKRMCVGEGLARMELFLFLTSILQNFKLQSLVEPKDLDITAVVNGFVSVPPSYQLCFIPIH--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NR6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -256094 for 3996 contacts (-64.1/contact) +
2D Compatibility (PS) -50081 + (NN) -28020 + (LL) 2908
1D Compatibility (HY) -61600 + (ID) 17050
Total energy: -409937.0 ( -102.59 by residue)
QMean score : 0.450
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