Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEKQHIQYFKNLVGGEDFFTDLAHLNAYCYDAT-KERHLPSGVIFPKNEREISQILKYCNEH---RLIVVPRGAGSGFTGGALSVSGGLVLSVEKHLD----KILEIDTKNLIARVEPGVINKHFQNEVEKLDLFYPPDPASENQSTLGGNVAENAGGMRAAKYGITKDYVMALRVVLANGEIIRAGKKTIKDVAGFNIAGLMIASEGCLGVISEITLKLLAKPPLKQSAMGVFNHIEDAMNAVYKTMSSGVTPVAMEFLDNLSI---KAVEERFSKGLPKDAGAILITQVDG------VVKEQIAWQLNEIEKHFKAN-----GCVGFKIAQNEQEEQDLWFSRRNASQSISVYGKKK--LNEDVTVPRASLPSLLQEVAKISQKY------GFKIPCFGHTGDGNVHVNIM---------LEDPKRDLEKGHKAMEEIFQAAISLEGTLSGEHGIGLSKAKFMPLAFNHSEMELFRNIKKALDPNNILNPFKMGL- |
1W1O Chain:A ((40-534)) | -----------ALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTGDLVALLSAANSTPGWPYTIAFRGRGHSLMGQAFA-PGGVVVNMASLGDAAAPPRINVSADGRYVDAGGEQVWIDVLRASLARGVAPR-SWTDYLYLTVGGTLSNAGISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQL-----NADLFDAVLGGLGQFGVITRARIAVEPAPARARWVRFVYTDFAAFSADQERLTA-PRSFGPMSYVEGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYAAVDQELASVLGTLSYVEGFAFQRDVAYAAFLDRVHGEEVALNKLGLWRVPHPWLNMFVPRSRIADFDRGVFKGILQGTDIVGPLIVYPLNKSMWDDGMSAATPSEDVFYAVSLLFSSNDLARLQEQNRRILRFCDL-AGIQYKTYLARHTDRSDWVRHFGAAKWNRFVEMKNKYDPKRLLSPGQDIFN |
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General information:
TITO was launched using:
| RESULT:
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Template: 1W1O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -97108 for 3700 contacts (-26.2/contact) +
2D Compatibility (PS) -47071 + (NN) -13832 + (LL) 2056
1D Compatibility (HY) -6400 + (ID) 3250
Total energy: -165605.0 ( -44.76 by residue)
QMean score : 0.302
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