Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRSWMKKKYFTLLLQSSVVLAVFIGCSSTRNHTFSALSNQENTDDKLPVVHSIKTINDVSSVGFEWSKVA--DTYDIDGFVLYRLKKD---------------SKLKRIATI--------KNPYATHYYDEGLETESSYTYQLATYK-----GDKISKLSEPILVKT--SFINPVESVFASLEYPKSVKVFWSPHPN--PSVSKYIIQRQNKDGKFLNVGAVKNRLFVEFFDKDLEDGQKYRYQIIAENFMGDKSRPSVIVEGKTKDLPKEIANVRVSQNLTRQIELSWDKSPEEDVIAYRIYASNNRNDKYKFI-AQTTNTSYVDKIEKDNLTRYYKVVAVDKTHLEGALPK-EPAMGETS---DRPEAPIITKGTI-QDSSALIQWENNPS--PKIATYAVYRFEANSKTPL----RFGNITQNQFVDKDMKVGVAYRYQVVSVDKDGLESHPSKEVRLFLER |
2DTG Chain:E ((481-906)) | ---------------------------------------------------------SFDKILLRWEPYWPPDFRDLLGFMLFYKEAPYQNVTEFDGQDACGSNSWTVVDIDPPLRSNDPKSQNHPGWLMRGLKPWTQYAIFVKTLVTFSDERRTYGAKSDIIYVQTDATNPSVPLDPISVSNSSSQIILKWKPPSDPNGNITHYLVFWERQAEDSE-------LFELDYCLKGLKLPS-----------------------------------------------------------------------EHRPFEKVVNKESLVISGLRHFTGYRIELQACNQDTPEERCSVAAYVSARTMPEAKADDIVGPVTHEIFENNVVHLMWQEPKEPNGLIVLYEVSYRRYGDEELHLCDTRKHFALERGCRLRGLSPG-NYSVRIRATSLAG-NGSWTEPTYFYVTD |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DTG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9234 for 1740 contacts (-5.3/contact) +
2D Compatibility (PS) -29561 + (NN) 3971 + (LL) 9500
1D Compatibility (HY) -8400 + (ID) 1700
Total energy: -35424.0 ( -20.36 by residue)
QMean score : 0.242
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