Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALQVASAPHGSSEDSTSASLPANYPYHTRMRRNEYEKAKHDLQIELLKVQSWVKETGQRVVVLFEGRDAAGKGGTIKRFMEHLNPRGARIVALEKPSSQEQG------------QWY-------------FQRYIQHLPTAGEMVFFDRSWYNRAGVERVMGFCSPLQYLEFMRQAPELERMLTNSGILLFKYWFSVSREEQLRRFISRRDDPLKHWKLSPIDI-------KSLDKWDDYTAAKQAMFFHTDTADAPWTVIKSDDKKRARLNCIRHFLHSLDYPDKDRRIAHEPDPLLVGPASRVIEEDEKVYAEAAAAPGHANLDIPA |
2PLR Chain:A ((2-209)) | ---------------------------------------------------------KKGVLIAFEGIDGSGKSSQATLLKDWIEL-KRDVYLTEWNSSDWIHDIIKEAKKKDLLTPLTFSLIHATDFSDRYERYILPMLKSGFIVISDRYIYTAYARDSVRGV--------DIDWVKKLYSF---AIKPDITFYIRVSPDIALERIKKSKRKIKP-QEAGADIFPGLSPEEGFLKYQGLITEVYDKLVK-----DENFIVIDGTK---TPKEIQIQIRKFVGELIDNSF---------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PLR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -53531 for 1330 contacts (-40.2/contact) +
2D Compatibility (PS) -18806 + (NN) -6237 + (LL) 7840
1D Compatibility (HY) -7200 + (ID) 1500
Total energy: -79434.0 ( -59.72 by residue)
QMean score : 0.462
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