Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEIIVALVGQPNVGKSSLINALSNAHLKVGNFAGVTVDKMEVSLIHKDHQITIIDLPGTYALNDFTTEEKVTKDFLEKGQYDLILNVVDSTNLERNLALSAQLLDTNKKMLLALNMWDEAKKEGININTEKLSQELGVVCVPTSARSKEDRLNTELLLDEIVRLYSQNTTNNENIKVPSQSFKESLKYSQSAQRIAKSVISENKQNASFEHTYKIDKILMHQRYGIFIFLGFMFIIFSLSFLIGGGVQKALEEGFKILSDSIKENVANEDLASLVGDGIIGGVGATVSFLPLIVVLYFGISLLETTGYMSRVAFLLDGILHKFGLHGKSFIPLITGFGCSVPAYMATRTLQNYNERLITLFVIGFMSCSARLPIYVLFVGSFFPSSSAGFVLFCIYILGAVVALVMAKLLKLSVFKGQTESFIMEMPKYRFPSWRMVYFSIYTKSLSYLKKAGTYILVGAILIWFMSQYPKNDAAMKTYKQESLLVQKNANLSSEAKEEKLKELKTELDKKNLKNSVVGRGGAYLEKVFNPMDFDWRLSVSLVTGFMAKEVVVSTLGVLFSLGDQNEKSDAFREIIRKEVSVPSGIAFIVFVMFYIPCFAATITFGREAGGIKFVAYLFIFTTVVAYAFSLIAFYATQILV |
3B1Y Chain:A ((6-164)) | -----IALIGNPNSGKTSLFNLITGHNQRVGNWPGVAVER-KSGLVKKNKDLEIQDLPGIYSMSPYSPEEKVARDYLLSQRADSILNVVDATNLERNLYLTTQLIETGIPVTIALNMIDVLD----KINVDKLSYHLGVPVVATSALKQTG-------VDQVVKKAAHTTTSTVGDLAFPIYDDRLEAAISQILEVLGNSVPQRSARFYAIKLFEQDSLVEAELDLSQFQRKEIEDIIRITEEIFTEDAESIVINERYAFIERVCQMAE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B1Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -75323 for 1252 contacts (-60.2/contact) +
2D Compatibility (PS) -16843 + (NN) -4892 + (LL) 30560
1D Compatibility (HY) -13600 + (ID) 3450
Total energy: -83548.0 ( -66.73 by residue)
QMean score : 0.598
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