Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDTEKRVHKYIEKHDLIRSDDKLLVAVSGGPDSLALLHFLWNSNLVPKEAISVAHLNHQLRENAAKEQRVVETFCERQGIPFYIEEVDIKSRAQSLQKGLEETARIVRYDFFEKVMAEKNINKLVLAHHADDQIETILMRLVRGSASIGWSGIQPKRELKGGQAIRPFLPITKAEIIDYAQKHELAYEIDESNTSQEYTRNRYRAQLLPFLKQENPAVYSHFERFSEETSEDFQFLEALASDLLKKNLIKNGKQTTLLLSSFKNEANPLQRRAIHLLLRYLYNEDASFITVNHIYQIIQMIQSDNPSSSIDLPNKLIANRAYDKLHFQFGEREAPSEFYHQLELNDRIELDNKASIRLKLKSSVVQTNGLNGMLLDAEEITLPLIVRNRVNGDRMTMKGQAGSKKLKDIFIDAKIPRQERDKLPVITDYTGKILWVPGVKKSAYDREFSRSKKQYIIRYTRNIGGNESMHNDIQKVLISEDELQEKIRELGRELTTEYE---GRNPLVVGVLKGATPFMTDLLKRVDTYLEMDFMDVSSYGNGTVSSGEVKIIKDLNASVEGRDVLVIEDIIDSGRTLSYLVDLIKYRKAKSVKLVTLLDKPAGRNVEIEADYVGFVVPNEFVVGYGLDYAERYRNLPYIGILKPEIYSE |
4RHU Chain:A ((20-200)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GDIKSVLLTAEQIQARIAELGEQIGNDYRETTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSY------SGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVY-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4RHU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129380 for 1317 contacts (-98.2/contact) +
2D Compatibility (PS) -18501 + (NN) -4185 + (LL) 34412
1D Compatibility (HY) -20800 + (ID) 4100
Total energy: -142554.0 ( -108.24 by residue)
QMean score : 0.563
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