Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIMMLPMEQKIQWVPTSLQDITAVLGTEAYTEEDKSMVSHAQKSQHSCLSHSRWLRSPQVTGGSWDLRIRPSKDSSSFRQAQCLRKDPGANNHLESQGVRGTAGDADRELRGPSEKATAGQPRVTLLPTPHVSGLSQEFESHWPEIAERSPCVAGVIPVIYYSVLLGLGLPVSLLTAVALARLATRTRRPSYYYLLALTASDIIIQVVIV-FAGFLLQGAVLARQVPQAVVRTANILEFAANHASVWIAILLTVDRYTALCHPLHHRAASSPGRTRRAIAAVLSAALLTGI-PFYWWLDMWRDTDSPR---------TLDEVLKWAHCLTVYFIPC---------GVFLVTNSAIIHRLRR---------RGRSGLQPRV--GKSTAILLGITTLFTLLWAPRVFVMLYHMYV-----APVHRDWRVHLALDVANMVAMLHTAANFGLYCFVSKTFRATVRQVIHDAYLPCTLASQPEGMAAKPVMEPPGLPTGAEV |
3UZA Chain:A ((33-305)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LNSNLQNVTNYFVVSLAAADILVGVLAIPFAITISTGFCAACHGCLFIACFVLVLA----QSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQP-----GCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAG---LFALCWLPLHIINCFTFFCPDCSHAPL---WLMYLAIVLAHT----NSVVNPFIYAYRIREFRQTFRKIIRS------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UZA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -182954 for 1630 contacts (-112.2/contact) +
2D Compatibility (PS) -23291 + (NN) -5908 + (LL) 13880
1D Compatibility (HY) -21200 + (ID) 3100
Total energy: -222573.0 ( -136.55 by residue)
QMean score : 0.190
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