Study : T0694 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [Kd < -3] : 5 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: RM8_A_3(3RM8) / Model_50(1LL7/A) = [-4.4] Download--MVLAYYSGYAGNYAALTRYAASFNAVAVDFYNITAQGAVTGNGDPAPNDAISFLLGRKIPAYGCVSNVDGNGNWSADIAHAVSTSAQSQAVANLVKFAQDKRFSGINVDFEAVAQGDRNNFSHFIQVLGRALHAKGLKLIVSVPAFSAKDENHPANYGYDLRALGAAADYLQIMSYDEAIPAWDPGPVAGSDWMEDDLDYAVERVPAAKILNGIPAYGYDWKRPGDGGMLYWKDTQALIARYGAQPRYDAGTHSLTFNYGAADGSRHTVWTENARSVALKASLVNAYGLGGTSLYALGMEDDAFWAAVKQGLAQR
Complex: 3RM_A_3(3RM4) / Model_40(3BXW/B) = [-4.4] Download--MVLAYYSGYAGNYAALTRYAASFNAVAVDFYNITAQGAVTGNGDPAPNDAISFLLGRKIPAYGCVSNVDGNGNWSADIAHAVSTSAQSQAVANLVKFAQDKRFSGINVDFEAVAQGDRNNFSHFIQVLGRALHAKGLKLIVSVPAFSAKDENHPANYGYDLRALGAAADYLQIMSYDEAIPAWDPGPVAGSDWMEDDLDYAVERVPAAKILNGIPAYGYDWKRPGDGGMLYWKDTQALIARYGAQPRYDAGTHSLTFNYGAADGSRHTVWTENARSVALKASLVNAYGLGGTSLYALGMEDDAFWAAVKQGLAQR
Complex: RM8_A_3(3RM8) / Model_40(3BXW/B) = [-4.1] Download--MVLAYYSGYAGNYAALTRYAASFNAVAVDFYNITAQGAVTGNGDPAPNDAISFLLGRKIPAYGCVSNVDGNGNWSADIAHAVSTSAQSQAVANLVKFAQDKRFSGINVDFEAVAQGDRNNFSHFIQVLGRALHAKGLKLIVSVPAFSAKDENHPANYGYDLRALGAAADYLQIMSYDEAIPAWDPGPVAGSDWMEDDLDYAVERVPAAKILNGIPAYGYDWKRPGDGGMLYWKDTQALIARYGAQPRYDAGTHSLTFNYGAADGSRHTVWTENARSVALKASLVNAYGLGGTSLYALGMEDDAFWAAVKQGLAQR
Complex: RM8_A_3(3RM8) / Model_44(3G6M/A) = [-4.1] Download--MVLAYYSGYAGNYAALTRYAASFNAVAVDFYNITAQGAVTGNGDPAPNDAISFLLGRKIPAYGCVSNVDGNGNWSADIAHAVSTSAQSQAVANLVKFAQDKRFSGINVDFEAVAQGDRNNFSHFIQVLGRALHAKGLKLIVSVPAFSAKDENHPANYGYDLRALGAAADYLQIMSYDEAIPAWDPGPVAGSDWMEDDLDYAVERVPAAKILNGIPAYGYDWKRPGDGGMLYWKDTQALIARYGAQPRYDAGTHSLTFNYGAADGSRHTVWTENARSVALKASLVNAYGLGGTSLYALGMEDDAFWAAVKQGLAQR
Complex: CFF_A_2(3G6M) / Model_47(1ITX/A) = [-4.0] Download--MVLAYYSGYAGNYAALTRYAASFNAVAVDFYNITAQGAVTGNGDPAPNDAISFLLGRKIPAYGCVSNVDGNGNWSADIAHAVSTSAQSQAVANLVKFAQDKRFSGINVDFEAVAQGDRNNFSHFIQVLGRALHAKGLKLIVSVPAFSAKDENHPANYGYDLRALGAAADYLQIMSYDEAIPAWDPGPVAGSDWMEDDLDYAVERVPAAKILNGIPAYGYDWKRPGDGGMLYWKDTQALIARYGAQPRYDAGTHSLTFNYGAADGSRHTVWTENARSVALKASLVNAYGLGGTSLYALGMEDDAFWAAVKQGLAQR
Consensus
[Kd Mean = -4.20]		-0
(s=0)		0
(s=0)		MVLAYYSGYAGNYAALTRYAASFNAVAVDFYNITAQGAVTGNGDPAPNDAISFLLGRKIPAYGCVSNVDGNGNWSADIAHAVSTSAQSQAVANLVKFAQDKRFSGINVDFEAVAQGDRNNFSHFIQVLGRALHAKGLKLIVSVPAFSAKDENHPANYGYDLRALGAAADYLQIMSYDEAIPAWDPGPVAGSDWMEDDLDYAVERVPAAKILNGIPAYGYDWKRPGDGGMLYWKDTQALIARYGAQPRYDAGTHSLTFNYGAADGSRHTVWTENARSVALKASLVNAYGLGGTSLYALGMEDDAFWAAVKQGLAQR