Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSYFTDFVRGFLDLGATVILPVVIFLLGLFFRQKIGAAFRSGLTIGVAFVGIFLVIDLLVKNLGPAAQAMVKNLGVSLNVIDVGWPATSSIAWASSVAAFIIPLGIIVNVVLLVTKVTKTMNVDIWNFWHYTFTAAMVYAVSGSIWQALLAAVIFQVICLKVADWTAPMMSEFFDLPGVSIATGSTISYAPGIYLVKLLQKVPGLNKLDADPETIQKRFGAFGESIFVGLILGLGIGVLAGYKPGDIINLGMSMAAVMVLMPRMVKI-LMEGLMPVSESARTWLNKRFGE----REIYIGLDAAVALGHPAVISTALILVPITVLLAVILPGNQVLPFGDLATIPFVVAFIVGAARGNIIHSVIVGTIMIAISLYIATDVAPIFTDMAKGTNVQMPKGSSEISSIDQGGNIVNYLIFKLFSLFN |
1EKF Chain:A ((100-197)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSLGVSQPRRALLFVILCPV----GAYFPGGSVTPVSLLADPAFIRAWVGG----------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1EKF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -27870 for 419 contacts (-66.5/contact) +
2D Compatibility (PS) -9612 + (NN) 2300 + (LL) 25740
1D Compatibility (HY) -7600 + (ID) 1250
Total energy: -18292.0 ( -43.66 by residue)
QMean score : -0.169
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