Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATQKNLVDLATKAYIYGFPFIFNTQQIERYVTVGIGGTKQVPFNNFTHASRLAEPSDKFVSVN--NDTIYSNAPIDVSAGPVVLSVP-----DTSGRYYVLQFVDAWSNNFAYVGKRATGTSAGKFLLTPPNWNGDVPADMIEIKFPTNIGII----IGRLACD--GEADLPTVRELQEQLKITPLNEGKEVDGFPEYDRSLGKEL-AFFEQLRVYMAQFP--PAERDLVK--QESFAPIGLMEKGVSPYSNP--SEELKNALIEGAKAGLANIKKATTNFKSENGWGLTQHLFDYNADFFEIGTKKSLDWVI-------EDREEAYIIRAVSAITALWGNHGYEAVYLMTWTDTDGNALNGKNKYTLE-----LNPIPPVDSFWSITMYDLPEYFLCENPINRYSIGDRTPGIQYNDDGGITIV---VSKDEPTDPKERANWLPAPDAEFRPMFRLYNPQQPLVDGSYHFPGFEKK---------------------------------------- |
4UM2 Chain:A ((1-582)) | SMELHRLLRVADNQELQLSNLLSR----DRISPEGLEKMAQLRAELLQLYERCILLDIEFSDNQNVDQILWKNAFYQVIEKFRQLVKDPNVENPEQIRNRLLELLDEGSDFFDSLLQKLQVTYKFKLEDYMDGLAIRLRKTVKYALISAQRCMICQGDIARYREQASDTANYGKARSWYLKAQHIAPKNGRPYNQLALLAVYTRRKLDAVYYYMRSLAASNPILTAKESLMSLFEETKRKAEQMEKGLGSLSPSDLNKRFILSFLHAHGKLFTRIGMETFPAVAEKVLKEFQVLLQHSPS--PIGSTRMLQLMTINMFAVHNSQRSVIQEQAAALGLAMFSLLVRRCTCLLKESLSSPEDQDDQDDIKVSSFVPDLKELLPSVKVWSDWMLGYPDTWN--PPPTSLDLPSHVAVDVWSTLADFCNILTAVNQSEVPLYKDPDDDLTLLILEEDRLLSGFVPLLAAPQDPCYVEKTSDKVIAADCKRVTVLKYFLEALCGQEEPLLAFKGGKYVSVAPV |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UM2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -10742 for 3178 contacts (-3.4/contact) +
2D Compatibility (PS) -44073 + (NN) -2922 + (LL) 920
1D Compatibility (HY) -11200 + (ID) 3100
Total energy: -71117.0 ( -22.38 by residue)
QMean score : 0.115
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