Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTIYNFSAGPAVLPKPVLVKAQSELLNYQGSSMSVLEVSHRSKEFDDIIKGAERYLRDLMGIPDNYKVIFLQGGASLQFSMIPLN---IARGRKAYYHVAGSWGKKAYTEAVKLSKTIPFEPILLASSEESVYDYIPEFDEKEIDPEAAYVHVTTNNTIEGTSLYDIPKTNGVPVIADMSSNILAVKYKVEDFAMIYAGAQKNIGPAGVTVVIIREDMIN----EEPTLSSMLDYKIQSDASSLYNTPPAYSIYIAKLVFEWVKSLGGVDAMEKANREKSGLLYDYIDSSE-FYSNPVRDKKSRSLCNIPFITINKD----LDEKFVKEATERGFKNIKGHRSVGGMRASLYNAFPKQGVIELIDFMKTFEAENA |
3E77 Chain:A ((22-371)) | ----------SMLPHSVLLEIQKELLDYKGVGISVLEMSHRSSDFAKIINNTENLVRELLAVPDNYKVIFLQGGGCGQFSAVPLNLIGLKAGRCADYVVTGAWSAKAAEEAKK------FGTINIVHPKLGSYTKIPDPSTWNLNPDASYVYYCANETVHGVEFDFIPDVKGAVLVCDMSSNFLSKPVDVSKFGVIFAGAQKNVGSAGVTVVIVRDDLLGFALRECP---SVLEYKVQAGNSSLYNTPPCFSIYVMGLVLEWIKNNGGAAAMEKLSSIKSQTIYEIIDNSQGFYVCPV-EPQNRSKMNIPFRIGNAKGDDALEKRFLDKALELNMLSLKGHRSVGGIRASLYNAVTIEDVQKLAAFMKKFLEMHQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3E77.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191045 for 2900 contacts (-65.9/contact) +
2D Compatibility (PS) -36425 + (NN) -12977 + (LL) 1040
1D Compatibility (HY) -33600 + (ID) 8250
Total energy: -281257.0 ( -96.99 by residue)
QMean score : 0.531
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