Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNYLESLYWIHERTKFGIKPGVKRMEWMLAQFNNPQNNIKGIHVGGTNGKGSTVAYLRTALVENGYEVGTFTSPFIETFNERISLNGVPISNDAIVELVSRIKPVSEMMERETDLGVATEFEIITAMMFLYFGEIHPVDFVIVEAGLGIKNDSTNVFTPVLSILTSIGLDHTDILGGTYLDIARDKGAIIKPNVPVIYAVKN-EDALKYVRERAIEQHAKPI------ELDREIVVVSQNDEFTYRYKDYELETIILSMLGEHQKQNAALAITALIE--LNEQGLIELDFNKMIDGIE-SVRWTGRIEQVHDKPLIILDGAHNSESIDALIDTIKQYHDKEKVDILFSAINGKPINEMVKHLSLIAHTFYATEFDFPKALRKEEIVGSIENDEIQLVDDYVEFIKN----Y-QGDTLVITGSLYFISEVKSKLDFEAL |
3NRS Chain:A ((15-436)) | -PLAAWLCYLEHL-------GLERVKQVAERLDLLKPAPKIFTVAGTNGKGTTCCTLEAILLAAGLRVGVYSSPHLLRYTERVRIQGQELSEAEHSHSFAQIEAGR-------GDISLTYFEFGTLSALQLFKQA-KLDVVILEVGLGGRLDATNIVDSDVAAITSIALDHTDWLGYDRESIGREKAGVFRGGKPAVVGEPDMPQ---SIADVAAELGAQLYRRDVAWKFSQ--------NGWHWQC--GERQLTGLPVPN-VPLANAATALAVLHYSEL------PLSDEAIRQGLQAA-SLPGRFQVVSEQPLLILDVAHNPHAARYLVNRLAQVI--GKVRAVVGMLSDKDIAGTLACLSERVDEWYCAPLEGPRGASAGQLAEHLVS--ARQFSDVETAWRQAMQDADTQDVVIVCGSFHTVAHVMAALH---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NRS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217659 for 3337 contacts (-65.2/contact) +
2D Compatibility (PS) -41379 + (NN) -16521 + (LL) 3824
1D Compatibility (HY) -17600 + (ID) 4650
Total energy: -293985.0 ( -88.10 by residue)
QMean score : 0.556
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