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Caption : figure s1. the result of re-docking. original conformation(orange), the conformation of the re-docking(green)

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Caption : figure s2. the adme/t results.

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Caption : figure s3. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s3. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.



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Caption : figure s3. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s3. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s3. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s3. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s4. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s4. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s4. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s4. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s4. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s4. 1b could bind closely with slc7a11. (a-b) rmsd of αc for apo/1b /erastin-protein systems. (c) rmsf of each residue for apo/1b/erastin-protein systems. (d)rg values of apo/1b/erastin-protein systems. (e) the number of hydrogen bonds for 1b-slc7a11. (f) the number of hydrogen bonds for erastin-slc7a11.

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Caption : figure s5. the free energy contribution of key residues. (a)1b-protein. (b) erastin-protein.

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Caption : figure s5. the free energy contribution of key residues. (a)1b-protein. (b) erastin-protein.

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Caption : figure s6. the free energy contribution of key residues. (a)1b-protein. (b) erastin-protein.

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Caption : figure s6. the free energy contribution of key residues. (a)1b-protein. (b) erastin-protein.