Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDTEKRVHKYIEKHDLIRSDDKLLVAVSGGPDSLALLHFLWNSNLVPKEAISVAHLNHQLRENAAKEQRVVETFCERQGIPFYIEEVDIKSRAQSLQKGLEETARIVRYDFFEKVMAEKNINKLVLAHHADDQIETILMRLVRGSASIGWSGIQPKRELKGGQAIRPFLPITKAEIIDYAQKHELAYEIDESNTSQEYTRNRYRAQLLPFLKQENPAVYSHFERFSEETSEDFQFLEALASDLLKKNLIKNGKQTTLLLSSFKNEANPLQRRAIHLLLRYLYNEDASFITVNHIYQIIQMIQSDNPSSSIDLPNKLIANRAYDKLHFQFGEREAPSEFYHQLELNDRIELDNKASIRLKLKSSVVQTNGLNGMLLDAEEITLPLIVRNRVNGDRMTMKGQAGSKKLKDIFIDAKIPRQERDKLPVITDYTGKILWVPGVKKSAYDREFSRSKKQYIIRYTRNIGGNESMHNDIQKVLISEDELQEKIRELGRELTTEYEGR------NPLV-VGVLKGATPFMTDLLKRVDTY---LEMDFMDVSSYGNGTVSSGEVKIIKDLNASVEGRDVLVIEDIIDSGRTLSYLVDLIKYRKAKSVKLVTLLDKPAGRNVEIEADYVGFVVPNEFVVGYGLDYAERYRNLPYIGILKPEIYSE |
| 1P17 Chain:A ((9-192)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EKILFTEEEIRTRIKEVAKRIADDYKGKGLRPYVNPLVLISVLRGSFMFTADLCRALCDFNVPVRMEFICVSSYG---TSSGQVRMLLDTRHSIEGHHVLIVEDIVDTALTLNYLYHMYFTRRPASLKTVVLLDKREGRRVPFSADYVVANIPNAFVIGYGLDYDDTYRELRDIVVLRPEVYAE |
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General information:
TITO was launched using:
| RESULT:
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Template: 1P17.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129135 for 1285 contacts (-100.5/contact) +
2D Compatibility (PS) -18627 + (NN) -3995 + (LL) 34392
1D Compatibility (HY) -21600 + (ID) 3850
Total energy: -142815.0 ( -111.14 by residue)
QMean score : 0.548
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