Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKYIKADRFFYADHVKENGYLEIKDNHFGKWIENISGQEEILDYSGYQIAPGLVDTHIHGFAGADVMD-CDSEGILRMSAGLLSTGVTSFLPTTLTSDTKRLEEASKSVAAVAGKEQGAKIQGIYFEGPYFTEEYKGAQNPIYMRNPNLEEFAQWQKAAKGLITKIALAPEREGVEEFVSAITKQGVTVALGHSNGTYKEAKKAVKAGASVWVHAYNGMRGLTHREPGMVGAVYNLPNTYAELICDGHHVDPVACDILMTQKGHNHVALITDCMAAGGAPDGDYMLGELPVVVSNGTARLKDGGNLAGSILKLKDGLKNVVEW-GIATPEEAVRMASYVPAVSVGIDNVCGQIKEGYAADFIVLDKHLDLVATYLDGEKRWQS |
3EGJ Chain:A ((37-377)) | --------------------------------IESLPSEMNVVDLNGANLSPGFIDLQLNGCGGVMFNDEITAETIDTMHKANLKSGCTSFLPTLITSSDENMRQAIAAAREYQAKYPNQSL-GLHLEGPYLNVMKKGIHSVDFIR-PSDDTMIDTICANSDVIAKVTLAPENNK-PEHIEKLVKAGIVVSIGHTNATYSEARKSFESGITFATHLFNAMTPMVGREPGVVGAIYDTPEVYAGIIADGFHVDYANIRIAHKIKGEKLV-LVTDATAPAGA-EMDYFIFVGKKVYYRDGKCVDENGTLGGSALTMIEAVQNTVEHVGIAL-DEALRMATLYPAKAIGVDEKLGRIKKGMIANLTVFDRDFNVKATVVNGQYEQ-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EGJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164292 for 3071 contacts (-53.5/contact) +
2D Compatibility (PS) -37009 + (NN) -19355 + (LL) 2396
1D Compatibility (HY) -22400 + (ID) 5850
Total energy: -246510.0 ( -80.27 by residue)
QMean score : 0.462
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