Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ---------------------MALDFLAGCAGGVAGVLVGHPFDTVKVRLQVQSVEKPQYRGTLHCFKSIIKQESVLGLY------------KGLGSPLMGL-TFINALVFGVQ----GNTLRALGHDSPLNQFLAGAAAGAIQCVICCPMELAKTRLQLQDAG------PARTYKGSLDCLAQIYGHEG-------LRGVNRGMVST--LLRETPSFGVYFLTY-DALTRALGCEPGDRLLVPKLLLAGGTSGIVS-WLSTYPVDVVKSRLQADGLRGAPRYRG-ILDCVHQSYRAEGWRVFTRGLASTLLRAFPVNAATFATVTVVLTYARGEEAGPEGE-----AVPAAPAGPALAQPSSL------------------ |
| 1NI3 Chain:A ((11-388)) | KVQWGRPGNNLKTGIVGMPNVGKSTFFRAITKSVLGNPANYPYATIDPEEAKVAVPDERFDWLCEAYKPKSRVPAFLTVFDIAGLTKGASTGVGLGNAFLSHVRAVDAIYQVVRAFDDAEIIHVEGDVDPIRDLSIIVDELLIKDAEFVEKHLEGLRKITSRGANTLEMKAKKEEQAIIEKVYQYLTETKQPIRKGDWSNREVEIINSLYLLTAKP---VIYLVNMSERDFLRQKNKYLPKIKKWIDENSPGDTLIPMSVAFEERLTNFTEEEAIEECKKLNTKSMLPKIIVTGYNALNLINYFT-CGEDEVRSWTIRKGTKAPQAAGVIHTDFEKAFVVGEIMHYQDLFDYKTENACRAAGKYLTKGKEYVMESGDIAHWK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NI3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -99410 for 1971 contacts (-50.4/contact) +
2D Compatibility (PS) -31316 + (NN) -3206 + (LL) -240
1D Compatibility (HY) -4400 + (ID) 1750
Total energy: -140322.0 ( -71.19 by residue)
QMean score : 0.231
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