Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MFGKRKKRVEISAPSNFEHRVHTGFDQHEQKFTGLPRQWQSLIEESARRPKPLVDPACITSIQPGAPKTIVRGSKGAKDGALTLLLDEFENMSVTRSNSLRRDSPPPPARARQENGMPEEPATTARGGPGKAGSRGRFAGHSEAGGGSGDRRRAGPEKRPKSSREGSGGPQESSRDKRPLSGPDVGTPQPAGLASGAKLAAGRPFNTYPRADTDHPSRGAQGEPHDVAPNGPSAGGLAIPQSSSSSSRPPTRARGAPSPGVLGPHASEPQLAPPACTPAAPAVPGPPGPRSPQREPQRVSHEQFRAALQLVVDPGDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQQRRELLFNEVVIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGGALTDIVTH----TRMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILL-THDGRVKLSDFGFCAQVSKEVPRRKSLVGTPYWMAPELISRLP--YGPEVDIWSLGIMVIEMVDGEPPYFN--EPPLKAMKMIRDNLPPRLKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKAGPPASIVPLMRQNRTR |
| 4BIC Chain:A ((25-279)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VVLGKGTYGIVYAGRDLSNQVRIAIKEIPE-----SQPLHEEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLAG------EFTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIP--ESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLKV----------------- |
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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) -176255 for 1895 contacts (-93.0/contact) +
2D Compatibility (PS) -25377 + (NN) -14516 + (LL) 8904
1D Compatibility (HY) -17200 + (ID) 3900
Total energy: -228344.0 ( -120.50 by residue)
QMean score : 0.476
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