Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNDDKKDFVGRDLYQLIRNAKDKIKIDYKFWYTQPVPKINDEFDENVNEPFISDNKVEDVRKEEYKLPSGYAWCVCDITKENDRSDIYNLLTDNYVEDDDNVFRFNYSSEFLLWALSSPNYVKNWHIGVKYESTNKLVGFISAIPIDMCVNKNIIKMAEVNFLCVHKSLRSKRLAPVLIKEITRRINLESIWQAIYTAGVYLPKPISTARYFHRSINVKKLIEIGFSCLNTRLTMSRAIKLYRIDDTLNIKNLRLMKKKDIDGLQKLLNEHLKQYNLHAIFSKEDVAHWFTPIDQVIYTYVNEENGEIKDLISFYSLPSKVLGNNKYNILNAAFSFYNITTTTTFKNLIQDAICLAKRNNFDVFNALEVMDNYSVFQDLKFGEGDGSLKYYLYNWKCASCHPSKIGIVLL |
4B12 Chain:B ((1-385)) | -------------------------MDYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVCDVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWHIGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAPVLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGFSSLNSRLTMSRAIKLYRVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFNLYAVFTKEEIAHWFLPIENVIYTYVNEENGKIKDMISFYSLPSQILGNDKYSTLNAAYSFYNVTTTATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVFEDLKFGEGDGSLKYYLYNWKCASFAPAHVGIVLL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4B12.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -288741 for 3143 contacts (-91.9/contact) +
2D Compatibility (PS) -40568 + (NN) -9355 + (LL) 1456
1D Compatibility (HY) -59600 + (ID) 15450
Total energy: -412258.0 ( -131.17 by residue)
QMean score : 0.454
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