Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKWSFLVVTVLAFVLVLAGCGASNDKVSGDKDKLKVVTTFYPMYDFTKNVAGDNASIEMLIDAGTEPHDYEPSAKDIAKIEAADVFVYNSEDMETWVPSVLKSLDSKKLTVIDASKGIELVEGTEEEDHDHEHEEGHHHEHDPHVWLSPVLAEQEVTNIQNGLTKADKTNADTYKKNAETYKEKLKTLDNKFKTAFEGAKQRDFVTQHAAFQYLAKEYDLHQVAIAGLSPDQEPSPARLAELQKYVKENNISTIYFEEVASPKVAETLANETGAKLEVLSPIEGITDKEQKKGMDYIAYMEQNLQALQKTIK |
3CX3 Chain:A ((7-283)) | ------------------------------TGKGMKIVTSFYPIYAMVKEVSGDLNDVR-MIQSSSGIHSFEPSANDIAAIYDADVFVYHSHTLESWAGSLDPNLKKSKVKVLEASEGMTLERVPG-------------TLYDPHTWLDPEKAGEEAQIIADKLSEVDSEHKETYQKNAQAFIKKAQELTKKFQPKFEKATQKTFVTQHTAFSYLAKRFGLNQLGIAGISPEQEPSPRQLTEIQEFVKTYKVKTIFTESNASSKVAETLVKSTGVGLKTLNPLESDP----QNDKTYLENLEENMSILAEEL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CX3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -61788 for 2148 contacts (-28.8/contact) +
2D Compatibility (PS) -28799 + (NN) -13653 + (LL) 3360
1D Compatibility (HY) -20400 + (ID) 5550
Total energy: -126830.0 ( -59.05 by residue)
QMean score : 0.518
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