Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDNHIDVLINGCGIGGAMLAYLLGRQGHRVVVVEQARRERAINGADLLKPAGIRVVEAAGLLAEVTRRGGRVRHELEVY---HDGELLRYFNYSSVDARGYFILMPCESLRRLVLEKIDGEATVEMLFETRIEAVQRDERHAIDQVRLNDG---RVLRPRVVVGADGIASYVRRRLLDIDVERRPYPSPMLVGTFALA------PCVAERNRLYVDSQGGLAYFYPIGFDRARLVVSFPREEARELMADTRGESLRRRLQRFVGDESAEAIAAVTGTSRFKGIPIGYL-----NLDRYWADNVAMLGDAIHNVHPITGQGMNLAIEDASALADALDLALRDACALEDALAGYQAERFPVNQAIVSYGHALATSLEDRQRFAGVFDTALQGSSRTPEALGGERSYQPVRSPAPLG-------------------------------- |
3E1T Chain:A ((5-503)) | --PEVFDLIVIGGGPGGSTLASFVAMRGHRVLLLEREAFPRHQIGESLLPATVHGICAMLGLTDEMKRAGFPIKRGGTFRWGKEPEPWTFGFTRHPDDPYGFAYQVERARFDDMLLRNSERKG-VDVRERHEVIDVLFEGERAVGVRYRNTEGVELMAHARFIVDASGNRTRVSQAV----GERVYSRFFQNVALYGYFENGKRLPAPRQGNILSAAFQDGWFWYIPLSDTLTSVGAVVSREAAEA-IKDGHEAALLRYIDRC--PIIKEYLAPATRVTTGDYGEIRIRKDYSYCNTSFWKNGMALVGDAACFVDPVFSSGVHLATYSALLVARAINTCLAGEMSEQRCFEEFERRYRREYGNFYQFLVAFYDMNQDTDSYFWSARKIINTEERANEAFVRLIAGRSNLDEPVFQSNFMQGFTREITELQHLAMFGLVPSRDGLAWA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3E1T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -211723 for 3249 contacts (-65.2/contact) +
2D Compatibility (PS) -40646 + (NN) -3031 + (LL) 736
1D Compatibility (HY) -11600 + (ID) 3650
Total energy: -269914.0 ( -83.08 by residue)
QMean score : 0.410
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