Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNYLESLYWIHERTKFGIKPGVKRMEWMLAQFNNPQNNIKGIHVGGTNGKGSTVAYLRTALVENGYEVGTFTSPFIETFNERISLNGVPISNDAIVELVSRIKPVSEMMERETDLGVATEFEIITAMMFLYFGEIHPVDFVIVEAGLGIKNDSTNVFTPVLSILTSIGLDHTDILGGTYLDIARDKGAIIK---------PNVP-VIYAVKNEDALKYVRERAIEQHAKPIELDREIVVVSQNDEFTYRYKDYELETIILSMLGEHQKQNAALAITALIELNEQGLIELDFNKMIDGIESVRWTGRIEQVHDKPLIILDGAHNSESIDALIDTIKQ--YHDKEKVDILFSAINGKPINEMVKHLSLIAHTFYATEFDFPKALRKEEIVGSIENDEIQLVDDYVEFIKNYQG----DTLVITGSLYFISEVKSKLDFEAL |
3PYZ Chain:A ((20-435)) | LCYLEHLH------SQPIELGLERVKQVAERLDLLKPAPKIFTVAGTNGKGTTCCTLEAILLAAGLRVGVYSSPHLLRYTERVRIQGQELSE------AEHSHSFAQIEAGRGDISL-TYFEFGTLSALQLFKQAK-LDVVILEVGLGGRLDATNIVDSDVAAITSIALDHTDWLGYDRESIGREKAGVFRGGKPAVVGEPDMPQSIADVAAELGAQLYRRDVAWKFSQQ-------------NGWHWQCGERQLTGLPVPNV---PLANAATAL-AVLHYSE---LPLSDEAIRQGLQAASLPGRFQVVSEQPLLILDVAHNPHAARYLVNRLAQVI---QGKVRAVVGMLSDKDIAGTLACLSERVDEWYCAPLEGPRGASAGQLAEHLVSAR-QFSDVETAWRQAMQDADTQDVVIVCGSFHTVAHVMAAL----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PYZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172125 for 3299 contacts (-52.2/contact) +
2D Compatibility (PS) -41011 + (NN) -12330 + (LL) 3708
1D Compatibility (HY) -22000 + (ID) 4950
Total energy: -248708.0 ( -75.39 by residue)
QMean score : 0.506
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