Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDKIFQEKVGPVALTIVPTQKYKSNKIVFKFRAPLER---ETVTKRALLSILLETNSEKYPTQTDFRKQLANLYGANFYTTTAKKGNEHVLTVIFDMIDGQYVSDGNHILEDAFAFMEQALFRPNVANDAFNEETLTREKENLKSSLEGIYDD-KIRFASKRLVEEMFRDDEFRFGSAGVLEDIDAITAKDLYEYYLQFIAEDTIEIFICGDVTKEEVMPLI-EKMAFSPRPERKGIFYTKEAPKEVRVIHEQQAINQGKLVLGYQTETLFGDDDFVALQLANGLLGGF----ANSKI-----FINVREKASLAYYASSRIDSF--KGYMIISAGIDEV-NYEQALKIIEEQVVAMKQGNFTDDELNQTKEMLINQLLETNDQA--QGLIELVYNNVLR-DANLDLENWIAKIKQATKEEVVAAINKIKPDTIYFLSKGGEELHGKNHI |
3CX5 Chain:A ((3-413)) | -----VTQLSNGIVVATEHNPSAHTASVGVVFGSGAANENPYNNGVSNLWKNIFLSKEN--------SAVAA-KEGLALSSNISRD----FQSYIVSSLPG--------STDKSLDFLNQSFIQQKAN--LLSSSNFEATKKSVLKQVQDFEDNDHPNRVLEHLHSTAFQNTPLSLPTRGTLESLENLVVADLESFANNHFLNSNAVVVGTGNIKHEDLVNSIESKNLSLQTGTKPVLKKKAAFLGSEV-RLRDDTLPKAWISLAVEGEPV-NSPNYFVAKLAAQIFGSYNAFEPASRLQGIKLLDNIQEY-QLCDNFNHFSLSYKDSGLWGFSTATRNVTMIDDLIHFTLKQWNRLT-ISVTDTEVERAKSLLKLQLGQLYESGNPVNDANLLGAEVLIKGSKLSLGEAFKKIDAITVKDVKAWAGKRLWDQDIAIAGTGQI------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CX5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -104713 for 3207 contacts (-32.7/contact) +
2D Compatibility (PS) -42842 + (NN) -23579 + (LL) 1368
1D Compatibility (HY) -10400 + (ID) 2750
Total energy: -182916.0 ( -57.04 by residue)
QMean score : 0.459
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