Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKHIVELTDALSNKIAAGEVVERPASVVKELVENAIDAGSTVIDILVEEAGLNKITIIDNGSGIEEEDVATAFLRHATSKIKNEADLFRVHTLGFRGEALPSIASVSHLAMETSTGETKGTSISLEGGK---IIEQKSGHARKGTQIEVSQLFFNTPARLKYLKSLPTELGNITDILNRLALAHPDISFRFSHNGKPLLQTNG---NGDLRQVIAAIYGISIAKKSIPVKAESLDFKISGYAVLPEVNRSNRNYIS-TIINGRFIKNFALVKAIQEGYHTLLPIGRFPIIVLQIEMDPIIVDVNVHPAKLEVRLSKEKELGQLISQMIKEAFHKLQLIPEGEISKKQKEVQKSEQIQMSFEENKPAKEIPTLFSKPTIPEYVPSDEDAPREDDFILETMPPYEPQAEQEEHSKERIPKMYPIGQMHATYIFAQNENGLYIIDQHAAQERIKYEFYREKIGEVSRELQELLVPIVLEFPADEYVRLEEQKAKLEEVGVFLENFGQNSFIIRAHPTWFPKDQEEEMLREIIDEALSAPSISIHKLREDTAIMMSCKKSIKANHYLTTQDMEALLDTLREASDPFTCPHGRPVIIQYSTYELEKMFKRVM |
1NHI Chain:A ((12-328)) | -----------LANQIAAGEVVERPASVVKELVENSLDAGATRIDIDIERGGAKLIRIRDNGCGIKKDELALALARHATSKIASLDDLEAIISLGFRGEALASISSVSRLTLTSRTAEQQEAWQAYAEGRDMNVTVKPAAHP-VGTTLEVLDLFYNTPARRKFLRTEKTEFNHIDEIIRRIALARFDVTINLSHNGKIVRQYRAVPEGGQKERRLGAICGTAFLEQALAIEWQHGDLTLRGWVADPNHTTPALAEIQYCYVNGRMMRDRLINHAIRQACEDKLGADQQPAFVLYLEIDPHQVDVNVHPAKHEVRFHQSRLVHDFIYQGV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NHI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171789 for 2510 contacts (-68.4/contact) +
2D Compatibility (PS) -33026 + (NN) -5173 + (LL) 23236
1D Compatibility (HY) -19600 + (ID) 6450
Total energy: -212802.0 ( -84.78 by residue)
QMean score : 0.484
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