Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQRSNHTVTEFILLGFTTDPGMQLGLFVVFLGVYSLTVVGNSTLIVLICNDSHLHTPMYFVVGNLSFLDLWYSSVYTPKILVICISEDKSISFAGCLCQFFFSAGLAYSECCLLAAMAYDRYVAISKPLLYAQAMS-------IKLCALL---VAVSYCGGFINSSIITKKTFSFNFCCENIIDDFFCDLLPLVKLACGEKGCYKFLMYFLLASNVICPAVLILASYLFIITSVLRI-SSSQGRLKAFSTCSSHLTSVTLYYGSILYIYAL---------------PRSSYSFDMDKIVSTFYTEVLPMLNPMIYSLRNKDVKEALKKLLP |
4UG2 Chain:A ((12-303)) | ----------------------------VELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSAAAADILVGVLAIP--FAIAISTGFCAACHGCLFIACFVLVLTASSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKAHSQGCGEGQVACLFEDVVPM-----------NYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQL--------ARSTLQKEVHAAK-SLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIR |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UG2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -242099 for 1931 contacts (-125.4/contact) +
2D Compatibility (PS) -25302 + (NN) -352 + (LL) 3212
1D Compatibility (HY) -22800 + (ID) 3200
Total energy: -290541.0 ( -150.46 by residue)
QMean score : 0.329
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