Upload 2 files
Browse files- casp15_inputs.csv +21 -0
- casp15_set.tar.gz +3 -0
casp15_inputs.csv
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id,input_receptor,input_ligand,input_template
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T1124,data/casp15_set/casp15_holo_aligned_predicted_structures/T1124_holo_aligned_predicted_protein.pdb,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O|N[C@@H](Cc1ccc(O)cc1)C(=O)O|N[C@@H](Cc1ccc(O)cc1)C(=O)O,data/casp15_set/casp15_holo_aligned_predicted_structures/T1124_holo_aligned_predicted_protein.pdb
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T1170,data/casp15_set/casp15_holo_aligned_predicted_structures/T1170_holo_aligned_predicted_protein.pdb,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|[Mg+2]|[Mg+2]|[Mg+2]|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|[Mg+2],data/casp15_set/casp15_holo_aligned_predicted_structures/T1170_holo_aligned_predicted_protein.pdb
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T1186,data/casp15_set/casp15_holo_aligned_predicted_structures/T1186_holo_aligned_predicted_protein.pdb,Cc1onc(c1C(=O)N[C@H](C=O)[C@@H]1N[C@@H](C(O)=O)C(C)(C)S1)-c1c(Cl)cccc1Cl,data/casp15_set/casp15_holo_aligned_predicted_structures/T1186_holo_aligned_predicted_protein.pdb
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T1158v1,data/casp15_set/casp15_holo_aligned_predicted_structures/T1158v1_holo_aligned_predicted_protein.pdb,CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O,data/casp15_set/casp15_holo_aligned_predicted_structures/T1158v1_holo_aligned_predicted_protein.pdb
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H1172v2,data/casp15_set/casp15_holo_aligned_predicted_structures/H1172v2_holo_aligned_predicted_protein.pdb,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|[Mg+2]|[Mg+2]|[Mg+2],data/casp15_set/casp15_holo_aligned_predicted_structures/H1172v2_holo_aligned_predicted_protein.pdb
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T1158v2,data/casp15_set/casp15_holo_aligned_predicted_structures/T1158v2_holo_aligned_predicted_protein.pdb,CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O,data/casp15_set/casp15_holo_aligned_predicted_structures/T1158v2_holo_aligned_predicted_protein.pdb
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H1172v3,data/casp15_set/casp15_holo_aligned_predicted_structures/H1172v3_holo_aligned_predicted_protein.pdb,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|[Mg+2]|[Mg+2],data/casp15_set/casp15_holo_aligned_predicted_structures/H1172v3_holo_aligned_predicted_protein.pdb
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H1172v1,data/casp15_set/casp15_holo_aligned_predicted_structures/H1172v1_holo_aligned_predicted_protein.pdb,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|[Mg+2]|[Mg+2]|[Mg+2],data/casp15_set/casp15_holo_aligned_predicted_structures/H1172v1_holo_aligned_predicted_protein.pdb
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H1172v4,data/casp15_set/casp15_holo_aligned_predicted_structures/H1172v4_holo_aligned_predicted_protein.pdb,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|[Mg+2]|[Mg+2]|[Mg+2],data/casp15_set/casp15_holo_aligned_predicted_structures/H1172v4_holo_aligned_predicted_protein.pdb
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H1171v1,data/casp15_set/casp15_holo_aligned_predicted_structures/H1171v1_holo_aligned_predicted_protein.pdb,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|[Mg+2]|[Mg+2]|[Mg+2]|[Mg+2]|[Mg+2],data/casp15_set/casp15_holo_aligned_predicted_structures/H1171v1_holo_aligned_predicted_protein.pdb
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T1146,data/casp15_set/casp15_holo_aligned_predicted_structures/T1146_holo_aligned_predicted_protein.pdb,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,data/casp15_set/casp15_holo_aligned_predicted_structures/T1146_holo_aligned_predicted_protein.pdb
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H1171v2,data/casp15_set/casp15_holo_aligned_predicted_structures/H1171v2_holo_aligned_predicted_protein.pdb,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@@H](O)[C@H]1O|[Mg+2]|[Mg+2]|[Mg+2],data/casp15_set/casp15_holo_aligned_predicted_structures/H1171v2_holo_aligned_predicted_protein.pdb
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H1135,data/casp15_set/casp15_holo_aligned_predicted_structures/H1135_holo_aligned_predicted_protein.pdb,[Cl-]|[Cl-]|[Cl-]|[K+]|[K+]|[K+]|[K+]|[K+]|[K+]|[K+]|[K+]|[K+],data/casp15_set/casp15_holo_aligned_predicted_structures/H1135_holo_aligned_predicted_protein.pdb
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casp15_set.tar.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:339c2631dd324b3d4b0e4b45233a7a1ee5c1eeb3ed7d4afb5f67c0c28bfbd6fd
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size 242220668
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