Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNNGLDIQDKPPAPPMRNTSTMIGAGSKDAGTLNHGSKPLPPNPEEKKKKDRFYRSILPGDKTNKKKEKERPEISLPSDFEHTIHVGFDAVTGEFTGMPEQWARLLQTSNITKSEQKKNPQAVLDVLEFYNSKKTSNSQKYMSFTDKSAEDYNSSNALNVKAVSETPAVPPVSEDEDDDDDDATPPPVIAPRPEHTKSVYTRSVIEPLPVTPTRDVATSPISPTENNTTPPDALTRNTEKQKKKPKMSDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCM----DEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLG-MDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTR--KAYGPKVDIWSLGIMAIEMIEGEPPYLN-ENPLRALYLIATNGT-PELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATKNNH |
4BIC Chain:B ((27-282)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGKGTYGIVYAGRDLSNQVRIAIKEIPER----SQPLHEEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLA---------TGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEI--PESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLKVS--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BIC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -144366 for 1806 contacts (-79.9/contact) +
2D Compatibility (PS) -25200 + (NN) -12329 + (LL) 12536
1D Compatibility (HY) -17600 + (ID) 4250
Total energy: -191209.0 ( -105.87 by residue)
QMean score : 0.448
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