Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAQDRKKVLVLGAGYAGLQTVTKLQKAISTEEAEITLINKNEYHYE-ATWLHEASAGTLNYEDVLYPVESVLKKDKVNFVQA-EVTKIDRDAKKVETNQGIYDFDILVVALGFVSETFGIEGMKDHAFQIENVITARELSRHIEDKFANYAASKEKDDNDLSILVGGAGFTGVEFLGELTDRIPELCSKYGVDQNKVKITCVEAAPKMLPMFSEELVNHAVSYLEDRGVEFKIATPIVACNEKGFVVEVDGEKQQLNAGTSVWAAGVRGSKLME-ESFEGVKRGRIVTKQDLTINGYDNIFVIGDCSAFIPAGEERPLPTTAQIAMQQGESVAKNIKRILNGESTEEFEYVDRGTVCSLGSHDGVGMVFGKPIAGKKAAFMKKVIDTRAVFKIGGIGLAFKKGKF |
1XHC Chain:A ((9-302)) | -----SKVVIVGNGPGGFELAKQLSQ-----TYEVTVIDKEPVPYYSKPMLSHYIAGFIPRNRLFPYSLDWYRKRGIEIRLAEEAKLIDRGRKVVITEKGEVPYDTLVLATGARAREPQIKGK-EYLLTLRTIFDADRIKESI--------------ENSGEAIIIGGGFIGLELAGNLAEA-------------GYHVKLIHRGAMFL-GLDEELSNMIKDMLEETGVKFFLNSELLEANEEGVLTN---S-GFIEGKVKICAIGIVPNVDLARRSGIHTGRG-ILIDDNFRT-SAKDVYAIGDCAEYSG-----IIAGTAKAAMEQARVLADILKGE------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XHC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -194133 for 2402 contacts (-80.8/contact) +
2D Compatibility (PS) -30898 + (NN) -7950 + (LL) 6052
1D Compatibility (HY) -17200 + (ID) 3500
Total energy: -247629.0 ( -103.09 by residue)
QMean score : 0.506
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