Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRISIFGLGYVGAVCAGCLSARGHEVIGVDVSSTKIDLINQGKSPIVEPGLEALLQQGRQTGRLSGTTDFKKAVLDSDVSFICVGTPSKKNGDLDLGYIETVCREIGFAIREKSERHTVVVRSTVLPGTVNNVVIPLIEDCSGKKAGVDFGVGTNPEFLRESTAIKDYDFPPMTVIGELDKQTGDLLEEIYREL---DAPIIRKTVEVAEMIKYTCNVWHAAKVTFANEIGNIAKAVGVDGREVMDVICQDHKLNLSRYYMRPGFAFGGSCLPKDVRALTYRASQLDVEHPMLGSLMRSNSNQVQKAFDLITSH-----DTRKVGLLGLSFKAGTDDLRESPLVELAEMLIGKGYELRIFDRNVEYARVHGANKEYIESKIPHVSSLLVSDLDEVVASSDVLVLGNGDELFVDLVNKTPSGKKLVDLVGFMPHTTTAQAEGICW |
3GG2 Chain:A ((5-362)) | --IAVVGIGYVGLVSATCFAELGANVRCIDTDRNKIEQLNSGTIPIYEPGLEKMIARNVKAGRLRFGTEIEQAVPEADIIFIAVGTPAGEDGSADMSYVLDAARSIG---RAMSRYILIVTKSTVPVGSYRLIRKAIQEELDKREVLIDFDIASNPEFLKEGNAIDDFMKPDRVVVGVDSDRARELITSLYKPMLLNNFRVLFMDIASAEMTKYAANAMLATRISFMNDVANLCERVGADVSMVRLGIGSDSRIGSK--FLYPGCGYGGSCFPKDVKALIRTAEDNGYRMEVLEAVERVNEKQKSILFDKFSTYYKGNVQGRCVAIWGLSFKPGTDDMREAPSLVLIEKLLEVGCRVRVYD----------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GG2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146451 for 2785 contacts (-52.6/contact) +
2D Compatibility (PS) -36633 + (NN) -11514 + (LL) 6248
1D Compatibility (HY) -23600 + (ID) 6050
Total energy: -218000.0 ( -78.28 by residue)
QMean score : 0.590
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