Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNIQAMRKKVEVQIADLQNETDEIAEFNQAKVLDAFQENKVSDFHFHPSTGYGYDDEGRDTLEHVYATVFKTEAALVRPQIISGTHAISTVLFGILRPDDELLYITGQPYDTLEEIVGMRNQGQGSLKDFHIGYSSVPLLENGDVDFPLIAEKMTRKTKMIGIQRSRGYADRPSFTIDKIKEMIIFVKNINPEVIVFVDNCYGEFAEYLEPTEVGADIIAGSLIKNPGGGLAKTGGYIAGKEALIDL------CG-----------------------Y-RLTTPGIGREAGASLYSLLEMYQGFFLAPHVTAQAIKGARFTAAMLAEF-GVV-A-DPTW------DAPR------TDLIQSISFHN-KEKMVAFAQAIQAASPVNAHVLPIGAYMPGYEDDVIMAAGTFIQGASLELTADGPIREPYQLYVQGGLTYEHVKIAVTRAIQKTL |
2CTZ Chain:A ((58-420)) | ---------------------------------------------------------PTVDVLEKRLAALEGGKAALA---TASGHAAQFLALTTLAQAGDNIVS-TPNLYGGTFNQF------KVTLKRLGIEVRFTSRE----ERPEEFLALTDEKTRAWWVESI----GNPALNIPDLEALAQAAREK--GVALIVDNTFGMGGYLLRPLAWGAALVTHSLTKWVGGHGAVIAGAIVDGGNFPWEGGRYPLLTEPQPGYHGLRLTEAFGELAFIVKARVDGLRDQGQ--ALGPFEAWVVLLGMETLSLRAERHVENTLHLAHWLLEQPQVAWVNYPGLPHHPHHDRAQKYFKGKPGAVLTFGLKGGYEAAKRFISRLKLISHLAN--------VGDTRTLAIHPASTTHSQLSPEEQAQAGVSPEMVRLSVGLEHVEDLKAELKEAL---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CTZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -189863 for 2758 contacts (-68.8/contact) +
2D Compatibility (PS) -33691 + (NN) -12525 + (LL) 5060
1D Compatibility (HY) -800 + (ID) 3000
Total energy: -234819.0 ( -85.14 by residue)
QMean score : 0.364
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