Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLNFLYANMQKDIDSVEKELKKALSGAAADTTSAAALHLLEA--GGKRIRPMFVCLSARLAANADF-----NAVKNASVAIELIHMASIVHDDVVDDADLRRGRETIKSKWGNHIAMYTGDFLFAKSLEYMTEIKDVAAHKMLSHVTVELSTGEIEQLKDKYNFDQSVRNYLRRIKRKTALLIAASCGLGGVVSGQSEADYQKLYRFGYYVGMAFQITDDVLDFVGTEKELGKPAGEDLRQGNVTLPVFFAMEDPFLKKRISQI-T-EETPAEEIAVLVEEVKK-TGAKQAEDVATTYLKKAVEILDSLPQVP------ELKPLKQIVRVLDKRNY |
3APZ Chain:A ((8-348)) | ---LDPFSLVADELSLLSNKLREMVLA-EVP------------GVQGKQFRSTILLLMATALDV---TSELRVRQRGIAEITEMIHVASLLHDD----------------VMGNKMSVLAGDFLLSRACGALAALKNTEVVALLATAVEHLVTGETMEITSSTEQRYSMDYYMQKTYYKTASLISNSCKAVAVLTGQTAEVAVLAFEYGRNLGLAFQLIDDILDFTGTSASLGKGSLSDIRHGVITAPILFAMEEFPQ---LREVVDQVEKDPRNVDIALEYLGKSKGIQRARELAMEHANLAAAAIGSLPETDNEDVKRSRRALIDLTHRVITRNK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3APZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139655 for 2235 contacts (-62.5/contact) +
2D Compatibility (PS) -30229 + (NN) -15104 + (LL) 3348
1D Compatibility (HY) -12400 + (ID) 3750
Total energy: -197790.0 ( -88.50 by residue)
QMean score : 0.490
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