Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIKTYHKKSAFQVYMINLAVADLLCVCTLPLRVVYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCIAIVFPVQNINLVTQKKARFVCVGIWIFVILTSSPFLMAKPQKDEKNNTKC---FEPPQ---DNQTKNHVLVLHYVSLFVGFIIPFVIIIVCY----TMIILTLLKKSMKKNLSSHKKAIGMIMVVTAAFLVSFMPYHIQRTIHLHFLHNETKPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRKRLSTFRKHSLSSVTYVPRKKASLPEKGEEICKV |
4RWA Chain:A ((126-400)) | --------------------------TALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLME-TWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLF-------AFVVPILIITVCYGLMLL---------GSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPL-----VVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLC--------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4RWA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -231849 for 1914 contacts (-121.1/contact) +
2D Compatibility (PS) -25328 + (NN) -17 + (LL) 5092
1D Compatibility (HY) -23200 + (ID) 3950
Total energy: -279252.0 ( -145.90 by residue)
QMean score : 0.219
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