Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKEIIVALVGQPNVGKSSLINALSNAHLKVGNFAGVTVDKMEVSLIHKDHQITIIDLPGTYALNDFTTEEKVTKDFLEKGQYDLILNVVDSTNLERNLALSAQLLDTNKKMLLALNMWDEAKKEGININTEKLSQELGVVCVPTSARSKEDRLNTELLLDEIVRLYSQNTTNNENIKVPSQSFKESLKYSQSAQRIAKSVISENKQNASFEHTYKIDKILMHQRYGIFIFLGFMFIIFSLSFLIGGGVQKALEEGFKILSDSIKENVANEDLASLVGDGIIGGVGATVSFLPLIVVLYFGISLLETTGYMSRVAFLLDGILHKFGLHGKSFIPLITGFGCSVPAYMATRTLQNYNERLITLFVIGFMSCSARLPIYVLFVGSFFPSSSAGFVLFCIYILGAVVALVMAKLLKLSVFKGQTESFIMEMPKYRFPSWRMVYFSIYTKSLSYLKKAGTYILVGAILIWFMSQYPKNDAAMKTYKQESLLVQKNANLSSEAKEEKLKELKTELDKKNLKNSVVGRGGAYLEKVFNPMDFDWRLSVSLVTGFMAKEVVVSTLGVLFSLGDQNEKSDAFREIIRKEVSVPSGIAFIVFVMFYIPCFAATITFGREAGGIKFVAYLFIFTTVVAYAFSLIAFYATQILV |
| 3A1S Chain:A ((4-168)) | -HMVKVALAGCPNVGKTSLFNALTGTKQYVANWPGVTVEKKEGVFTYKGYTINLIDLPGTYSLGYSSIDEKIARDYLLKGDADLVILVADSVNPEQSLYLLLEILEMEKKVILAMTAIDEAKKTGMKIDRYELQKHLGIPVVFTSSVTGEG---LEELKEKIVEYAQKNTILHRMILDYGEKVESEIKKVENFLRDKKLRINPRYFALKYLSGDPEFYSEGVKLGLPELSEEERIGYRLLIAKRKREYVENVVKEAFA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A1S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94370 for 1314 contacts (-71.8/contact) +
2D Compatibility (PS) -18694 + (NN) -10516 + (LL) 29956
1D Compatibility (HY) -12000 + (ID) 3550
Total energy: -109174.0 ( -83.09 by residue)
QMean score : 0.683
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