Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEEMNDQMLVRRQKLQELYDLGIDPFGSKFDRSGLSSDLKEEWDQYSKEELVEKEADSHVAIAGRLMTKRGKGKAGFAHVQDLAGQIQIYVRKDQVGDDEFDLWKNADLGDIVGVEGVMFKTNTGELSVKAKKFTLLTKSLRPLPDKFHGLQDIEQRYRQRYLDLITNEDSTRTFINRSKIIQEMRNYLNNKGFLEVETPMMHQIAGGAAARPFVTHHNALDATLYMRIAIELHLKRLIVGGLEKVYEIGRVFRNEGVSTRHNPEFTMIELYEAYADYHDIMDLTESMVRHIANEVLGSAKVQYNGETIDLESAWTRLHIVDAV-KEATGVDFYEVKSDEEAKALAKEHGIEIKD----TMKYGHILNEFFEQKVEETLIQPTFIYGHPTEISPLAKKNPEDPRFTDRFELFIVGREHANAFTELNDPIDQKGRFEAQLVEKAQGNDEAHEMDEDYIEALEYGMPPTGGLGIGIDRLVMLLTDSPSIRDVLLFPYMRQK |
4EX5 Chain:B ((43-527)) | -----------RRDKLRALRDQGI-AYPNDFQPTHHAADLQTAYADADKEALEAKSLE--VAIAGRMMLKRVMGKASFATVQDGSGQIQFFVTPADVGAETYDAFKKWDLGDIVAARGVLFRTNKGELSVKCTQLRLLAKALRPLPD-------QETRYRQRYVDLIVTPETRTTFRARTKAIASIRKFMGDADFMEVETPMLHPIPGGAAAKPFVTHHNALDMEMFLRIAPELYLKRLIVGGFERVFEINRNFRNEGVSPRHNPEFTMMEFYAAYTDYRWLMDFTERLIRQAAVDALGTATIQYQGRELDLAQPFHRLTITQAIQKYAPSYTDGQLSDDAFLRSELKRLGVDVTQPAFLNAGIGALQLALFEETAEAQLWEPTFIIDYPIEVSPLARESDTVAGITERFELFITGREIANGFSELNDPEDQAARFKKQVEQKDAGDEEAMFFDADYIRALEYGMPPTGGCGIGIDRLVMLLTDSPTIRDVLLFPHLRR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4EX5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154027 for 3679 contacts (-41.9/contact) +
2D Compatibility (PS) -50800 + (NN) -16133 + (LL) 1428
1D Compatibility (HY) -42800 + (ID) 12500
Total energy: -274832.0 ( -74.70 by residue)
QMean score : 0.472
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