Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRRKRKWLIVICVLLVLITISQILKHFNYGTESKEAYNTYTVEKERQLDLQGKAYPREVKTYYKNNQVGTYLGVQVADGQTVKKGDMLINYKINSNKRQQLVDKINDTQHIITEVYLNITKGLNNREIQKKLIEYKQTLYEAQQQLYQYDSQNRDSMYASFDGKIMIKNIDN---DSDNQPILYLISK-ESHIKTSVTEFDLNKVKKGDKVNLSITSTGKTGAGIIKQISELPISYEENLSLHENDALHLPESNNDGELANSKSISASPIFKSNNNSELSKYGVIIDDLSLPIRAGYSLEIKVPLNAIKIPKSVLTKGNNVFIVNKNSIVEKRNIRIKRINGDIIVEKGLKPGDKLIKQPKSTMNDGDKVEISS |
| 2KCC Chain:A ((4-82)) | ---------------------------------------------------------DPTVLR-SPSAGKLTQYTVEDGGHVEAGSSYAEMEVMKM---------------------------------------------------------IMTLNVQERGRVKYI-KRPGAVLEAGCVVARLELDDLEHHHH----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KCC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -26612 for 480 contacts (-55.4/contact) +
2D Compatibility (PS) -7707 + (NN) 347 + (LL) 19124
1D Compatibility (HY) 400 + (ID) 450
Total energy: -14898.0 ( -31.04 by residue)
QMean score : 0.463
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