Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEIIVALVGQPNVGKSSLINALSNAHLKVGNFAGVTVDKMEVSLIHKDHQITIIDLPGTYALNDFTTEEKVTKDFLEKGQYDLILNVVDSTNLERNLALSAQLLDTNKKMLLALNMWDEAKKEGININTEKLSQELGVVCVPTSARSKEDRLNTELLLDEIVRLYSQNTTNNENIKVPSQSFKESLKYSQSAQRIAKSVISENKQNASFEHTYKIDKILMHQRYGIFIFLGFMFIIFSLSFLIGGGVQKALEEGFKILSDSIKENVANEDLASLVGDGIIGGVGATVSFLPLIVVLYFGISLLETTGYMSRVAFLLDGILHKFGLHGKSFIPLITGFGCSVPAYMATRTLQNYNERLITLFVIGFMSCSARLPIYVLFVGSFFPSSSAGFVLFCIYILGAVVALVMAKLLKLSVFKGQTESFIMEMPKYRFPSWRMVYFSIYTKSLSYLKKAGTYILVGAILIWFMSQYPKNDAAMKTYKQESLLVQKNANLSSEAKEEKLKELKTELDKKNLKNSVVGRGGAYLEKVFNPMDFDWRLSVSLVTGFMAKEVVVSTLGVLFSLGDQNEKSDAFREIIRKEVSVPSGIAFIVFVMFYIPCFAATITFGREAGGIKFVAYLFIFTTVVAYAFSLIAFYATQILV |
3LX8 Chain:A ((6-164)) | -----IALIGNPNSGKTSLFNLITGHNQRVGNWPGVTVER-KSGLVKKNKDLEIQDLPGIYSMSPYSPEEKVARDYLLSQRADSILNVVDATNLERNLYLTTQLIETGIPVTIALNMIDVLDGQGKKINVDKLSYHLGVPVVATSALKQTG-------VDQVVKKAAHTTTSTVGDLAFPIYDDRLEAAISQILEVLGNSVPQRSARFYAIKLFEQDSLVEAELDLSQFQRKEIEDIIRITEEIFTEDAESIVINERYAFIERVCQMA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LX8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -74474 for 1274 contacts (-58.5/contact) +
2D Compatibility (PS) -17464 + (NN) -5900 + (LL) 30188
1D Compatibility (HY) -13200 + (ID) 3550
Total energy: -84400.0 ( -66.25 by residue)
QMean score : 0.611
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