Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQRSNHTVTEFILLGFTTDPGMQLGLFVVFLGVYSLTVVGNSTLIVLICNDSHLHTPMYFVVGNLSFLDLWYSSVYTPKILVICISEDKSISFAGCLCQFFFSAGLAYSECCLLAAMAYDRYVAISKPLLYAQAMSIKLCALLVAVSYC----------GGFINSSIITKKTFSFNFCCENIIDDFFCDLLPLVKLACGEKGCYKFLMYFLLASNVICPAVLILASYLFIITSVLRISSSQGRLKAFSTCSSHLTSVTLYYGSILYIYALPRSSYSFDMDKIVSTFYTEVLPMLNPMIYSLRNKDVKEALKKLLP |
3PWH Chain:A ((12-206)) | ----------------------------VELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIP--FAITISTGFCAACHGCLFIACFVLVLAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQP--------GCGEGQVACLFEDVVPM-----------NYMVYFNFFACVLVPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLAHTNSVVNP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -153357 for 1196 contacts (-128.2/contact) +
2D Compatibility (PS) -17347 + (NN) 15 + (LL) 3220
1D Compatibility (HY) -16400 + (ID) 2550
Total energy: -186419.0 ( -155.87 by residue)
QMean score : 0.160
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