Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLR--EGSMFVAL------SASVFSLLAIAIERYITMLKMKLHNG-SNNFRLFLLISACWVISLILGGLPIMGWN------CISALSSC--STVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSS-EKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS |
| 3PWH Chain:A ((21-303)) | -----------------------------------------------------------ILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVL---------AIPFAITISTGFCAACHGCLFIACFVLVLAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQPGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGV-YLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLAHTNSVVNPFIYAYRIREFRQTFRKIIRS------------------------------------------------------ |
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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) -223276 for 1876 contacts (-119.0/contact) +
2D Compatibility (PS) -26703 + (NN) -11213 + (LL) 5500
1D Compatibility (HY) -22400 + (ID) 4200
Total energy: -282292.0 ( -150.48 by residue)
QMean score : 0.259
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