Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEDSSALPWSINRDDYELQEVIGSGATAVVQAAYCAPKKEKVAIKRINLEKCQTSMDELLKEIQAMSQCHHPNIVSYYTSFVVKDELWLVMKLLSGGSVLDIIKHIVAKGEHKSGVLDESTIATILREVLEGLEYLHKNGQIHRDVKAGNILLGEDGSVQIADFGVSAFLATGGDITRNKVRKT-FVGTPCWMAPEVMEQVRGYDFKADIWSFGITAIELATGAAPYHKYPPMKVLMLTLQNDPPSLETGVQDKEMLKKYGKSFRKMISLCLQKDPEKRPTAAELLRHKFFQKAKNKEFLQEKTLQRAPTISERAKKVRRVPGSSGRLHKTEDGGWEWSDDEFDEESEEGKAAISQLRSPRVKESISNSELFPTTDPVGTLLQVPEQISAHLPQPAGQIATQPTQVSLPPTAEPAKTAQALSSGSGSQETKIPISLVLRLRNSKKELNDIRFEFTPGRDTAEGVSQELISAGLVDGRDLVIVAANLQKIVEEPQSNRSVTFKLASGVEGSDIPDDGKLIGFAQLSIS |
4P90 Chain:B ((19-277)) | -------------KKKYTRFEKIG----GTVYTAMDVATGQEVAIKQMNL----------INEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETC---------MDEGQIAAVCRECLQALEFLHSNQVIHRNIKSDNILLGMDGSVKLTD-----------------SKRSEMVGTPYWMAPEVVTR-KAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNP-------EKLSAIFRDFLNRCLDMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4P90.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -126233 for 1771 contacts (-71.3/contact) +
2D Compatibility (PS) -25592 + (NN) -16278 + (LL) 15356
1D Compatibility (HY) -24800 + (ID) 5300
Total energy: -182847.0 ( -103.25 by residue)
QMean score : 0.559
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