Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MFGKRKKRVEISAPSNFEHRVHTGFDQHEQKFTGLPRQWQSLIEESARRPKPLVDPACITSIQPGAPKTIVRGSKGAKDGALTLLLDEFENMSVTRSNSLRRDSPPPPARARQENGMPEEPATTARGGPGKAGSRGRFAGHSEAGGGSGDRRRAGPEKRPKSSREGSGGPQESSRDKRPLSGPDVGTPQPAGLASGAKLAAGRPFNTYPRADTDHPSRGAQGEPHDVAPNGPSAGGLAIPQSSSSSSRPPTRARGAPSPGVLGPHASEPQLAPPACTPAAPAVPGPPGPRSPQREPQRVSHEQFRAALQLVVDPGDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQQRRELLFNEVVIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGGALTDIVTH----TRMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILL-THDGRVKLSDFGFCAQVSKEVPRRKSLVGTPYWMAPELISRLP--YGPEVDIWSLGIMVIEMVDGEPPYFN--EPPLKAMKMIRDNLPPRLKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKAGPPASIVPLMRQNRTR |
| 4BF2 Chain:B ((41-295)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VVLGKGTYGIVYAGRDLSNQVRIAIKEIPER---------EEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLA---------TGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIP--ESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLKV----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BF2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167884 for 1799 contacts (-93.3/contact) +
2D Compatibility (PS) -24799 + (NN) -14746 + (LL) 9704
1D Compatibility (HY) -17200 + (ID) 3900
Total energy: -218825.0 ( -121.64 by residue)
QMean score : 0.499
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