Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEIIVALVGQPNVGKSSLINALSNAHLKVGNFAGVTVDKMEVSLIHKDHQITIIDLPGTYALNDFTTEEKVTKDFLEKGQYDLILNVVDSTNLERNLALSAQLLDTNKKMLLALNMWDEAKKEGININTEKLSQELGVVCVPTSARSKEDRLNTELLLDEIVRLYSQNTTNNENIKVPSQSFKESLKYSQSAQRIAKSVISENKQNASFEHTYKIDKILMHQRYGIFIFLGFMFIIFSLSFLIGGGVQKALEEGFKILSDSIKENVANEDLASLVGDGIIGGVGATVSFLPLIVVLYFGISLLETTGYMSRVAFLLDGILHKFGLHGKSFIPLITGFGCSVPAYMATRTLQNYNERLITLFVIGFMSCSARLPIYVLFVGSFFPSSSAGFVLFCIYILGAVVALVMAKLLKLSVFKGQTESFIMEMPKYRFPSWRMVYFSIYTKSLSYLKKAGTYILVGAILIWFMSQYPKNDAAMKTYKQESLLVQKNANLSSEAKEEKLKELKTELDKKNLKNSVVGRGGAYLEKVFNPMDFDWRLSVSLVTGFMAKEVVVSTLGVLFSLGDQNEKSDAFREIIRKEVSVPSGIAFIVFVMFYIPCFAATITFGREAGGIKFVAYLFIFTTVVAYAFSLIAFYATQILV |
3A1W Chain:A ((8-166)) | -----VALAGCPNVGKTSLFNALTGTKQYVANWPGVTVEKKEGVFTYKGYTINLIDLPGTYSLGYSSIDEKIARDYLLKGDADLVILVADSVNPEQSLYLLLEILEMEKKVILAMTAIDEAKK----IDRYELQKHLGIPVVFTSSVTGE---GLEELKEKIVEYAQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A1W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -90590 for 1202 contacts (-75.4/contact) +
2D Compatibility (PS) -17344 + (NN) -9591 + (LL) 39052
1D Compatibility (HY) -11600 + (ID) 3450
Total energy: -93523.0 ( -77.81 by residue)
QMean score : 0.622
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