Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTRFAPSPTGYLHVGNARTALVCWMYTRSQNGKFLLRFDDTDLQRSDVKHIDSIVQDLRWICIDWD---------VIFKQSERFKHYNEVFLQLITKGHIYACYETKEELDIKRKLQLKHGLPPVYDRSALLLTEQEKFCYEQEGRKPHFRFKLDRNEVVKWNDEVKGEINIATSSIS-DPVVKREDGIYTYMLPSVIDDVDFNVTHVIRGEDHVTNTAVQIQMIQALEAKVPVFAHLPLLHFDDS-KISKRKGGLDIKSIKENEIEPMALASYLIKLGTS-DPIEAYVNMQSLIDSFDIKKFGSASAQFNLSEIHKLNSKVLQQ----------MPFEMVKERLSQIGVNSPE-----FWYFIRNNIEKFSEVAEWWQICKSNIEPVVLDK--------EFIKIVLDALPQGDCNENTLSEWVKAIQQTVDIKLKDLFMQLRLALTGAKTGPELAKLLIFIGKENIIARLKKY |
4GRI Chain:A ((27-502)) | --VRYAPSPTGLQHIGGIRTALFNYFFAKSCGGKFLLRIEDTDQSRYSPEAENDLYSSLKWLGISFDEGPVVGGDYAPYVQSQRSAIYKQYAKYLIESGHAYYCYCSPERLERIKKIQNINKMPPGYDRHCRNLSNEEVENALIKKIKPVVRFKIPLEGDTSFDDILLGRITWANKDISPDPVILKSDGLPTYHLANVVDDYLMKITHVLRAQEWVSSGPLHVLLYKAFKWKPPIYCHLPMVMGNDGQKLSKRHGSTALRQFIEDGYLPEAIINYVTLLGWSYDDKREFFSKNDLEQFFSIEKINKSPAIFDYHKLDFFNSYYIREKKDEDLFNLLLPFFQKKGYVSKPSTLEENQKLKLLIPLIKSRIKKLSDALNMTKFFYEDIKSWNLDEFKEVCSILELIKPILEGFEKRSSEEN--DKIFYDFAESN---LGEILLPIRIAALGSKVSPPLFDSLKLIGKSKVFERIKLA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GRI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -198635 for 3190 contacts (-62.3/contact) +
2D Compatibility (PS) -45139 + (NN) -10983 + (LL) 804
1D Compatibility (HY) -29200 + (ID) 6750
Total energy: -289903.0 ( -90.88 by residue)
QMean score : 0.493
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