Add batch 2
Browse files- .gitattributes +16 -0
- 5sc9__2__1.E__1.AA/ligand.sdf +69 -0
- 5sc9__2__1.E__1.AA/receptor_holo_prot_msa.a3m +3 -0
- 5sc9__2__1.E__1.AA/receptor_holo_prot_system.cif +0 -0
- 5sc9__2__1.E__1.Y/ligand.sdf +46 -0
- 5sc9__2__1.E__1.Y/receptor_holo_prot_msa.a3m +3 -0
- 5sc9__2__1.E__1.Y/receptor_holo_prot_system.cif +0 -0
- 5sc9__2__1.F__1.CA/ligand.sdf +46 -0
- 5sc9__2__1.F__1.CA/receptor_holo_prot_msa.a3m +3 -0
- 5sc9__2__1.F__1.CA/receptor_holo_prot_system.cif +0 -0
- 5sc9__2__1.G__1.HA/ligand.sdf +46 -0
- 5sc9__2__1.G__1.HA/receptor_holo_prot_msa.a3m +3 -0
- 5sc9__2__1.G__1.HA/receptor_holo_prot_system.cif +0 -0
- 5sc9__2__1.H__1.LA/ligand.sdf +46 -0
- 5sc9__2__1.H__1.LA/receptor_holo_prot_msa.a3m +3 -0
- 5sc9__2__1.H__1.LA/receptor_holo_prot_system.cif +0 -0
- 5sca__1__1.A__1.I/ligand.sdf +46 -0
- 5sca__1__1.A__1.I/receptor_holo_prot_msa.a3m +3 -0
- 5sca__1__1.A__1.I/receptor_holo_prot_system.cif +0 -0
- 5sca__1__1.A__1.K/ligand.sdf +85 -0
- 5sca__1__1.A__1.K/receptor_holo_prot_msa.a3m +3 -0
- 5sca__1__1.A__1.K/receptor_holo_prot_system.cif +0 -0
- 5sca__1__1.B__1.N/ligand.sdf +46 -0
- 5sca__1__1.B__1.N/receptor_holo_prot_msa.a3m +3 -0
- 5sca__1__1.B__1.N/receptor_holo_prot_system.cif +0 -0
- 5sca__1__1.C__1.R/ligand.sdf +46 -0
- 5sca__1__1.C__1.R/receptor_holo_prot_msa.a3m +3 -0
- 5sca__1__1.C__1.R/receptor_holo_prot_system.cif +0 -0
- 5sca__1__1.D__1.W/ligand.sdf +46 -0
- 5sca__1__1.D__1.W/receptor_holo_prot_msa.a3m +3 -0
- 5sca__1__1.D__1.W/receptor_holo_prot_system.cif +0 -0
- 5sca__2__1.E__1.AA/ligand.sdf +46 -0
- 5sca__2__1.E__1.AA/receptor_holo_prot_msa.a3m +3 -0
- 5sca__2__1.E__1.AA/receptor_holo_prot_system.cif +0 -0
- 5sca__2__1.E__1.CA/ligand.sdf +85 -0
- 5sca__2__1.E__1.CA/receptor_holo_prot_msa.a3m +3 -0
- 5sca__2__1.E__1.CA/receptor_holo_prot_system.cif +0 -0
- 5sca__2__1.F__1.FA/ligand.sdf +46 -0
- 5sca__2__1.F__1.FA/receptor_holo_prot_msa.a3m +3 -0
- 5sca__2__1.F__1.FA/receptor_holo_prot_system.cif +0 -0
- 5sca__2__1.G__1.KA/ligand.sdf +46 -0
- 5sca__2__1.G__1.KA/receptor_holo_prot_msa.a3m +3 -0
- 5sca__2__1.G__1.KA/receptor_holo_prot_system.cif +0 -0
- 5sca__2__1.H__1.OA/ligand.sdf +46 -0
- 5sca__2__1.H__1.OA/receptor_holo_prot_msa.a3m +3 -0
- 5sca__2__1.H__1.OA/receptor_holo_prot_system.cif +0 -0
- 5scb__1__1.A__1.I/ligand.sdf +46 -0
- 5scb__1__1.A__1.I/receptor_holo_prot_msa.a3m +3 -0
- 5scb__1__1.A__1.I/receptor_holo_prot_system.cif +0 -0
.gitattributes
CHANGED
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5sc9__1__1.D__1.U/receptor_holo_prot_msa.a3m filter=lfs diff=lfs merge=lfs -text
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5scb__1__1.A__1.I/receptor_holo_prot_msa.a3m filter=lfs diff=lfs merge=lfs -text
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5sc9__2__1.E__1.AA/ligand.sdf
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5sc9__2__1.E__1.AA/receptor_holo_prot_msa.a3m
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5sc9__2__1.F__1.CA/ligand.sdf
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| 46 |
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$$$$
|
5sc9__2__1.F__1.CA/receptor_holo_prot_msa.a3m
ADDED
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$$$$
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5sc9__2__1.G__1.HA/receptor_holo_prot_msa.a3m
ADDED
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@@ -0,0 +1,3 @@
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5sc9__2__1.H__1.LA/ligand.sdf
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| 46 |
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$$$$
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5sc9__2__1.H__1.LA/receptor_holo_prot_msa.a3m
ADDED
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@@ -0,0 +1,3 @@
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5sca__1__1.A__1.I/ligand.sdf
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M END
|
| 46 |
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$$$$
|
5sca__1__1.A__1.I/receptor_holo_prot_msa.a3m
ADDED
|
@@ -0,0 +1,3 @@
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version https://git-lfs.github.com/spec/v1
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5sca__1__1.A__1.K/ligand.sdf
ADDED
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5sca__1__1.B__1.N/receptor_holo_prot_msa.a3m
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$$$$
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5sca__1__1.C__1.R/receptor_holo_prot_msa.a3m
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5sca__1__1.D__1.W/ligand.sdf
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M END
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| 46 |
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$$$$
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5sca__1__1.D__1.W/receptor_holo_prot_msa.a3m
ADDED
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@@ -0,0 +1,3 @@
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5sca__2__1.E__1.AA/ligand.sdf
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| 46 |
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$$$$
|
5sca__2__1.E__1.AA/receptor_holo_prot_msa.a3m
ADDED
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$$$$
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5sca__2__1.E__1.CA/receptor_holo_prot_msa.a3m
ADDED
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@@ -0,0 +1,3 @@
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$$$$
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5sca__2__1.F__1.FA/receptor_holo_prot_msa.a3m
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+
50.5760 -54.9740 64.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
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50.8170 -55.4630 63.3020 O 0 0 0 0 0 0 0 0 0 0 0 0
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| 21 |
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51.6430 -54.5390 62.2720 P 0 0 2 0 0 0 0 0 0 0 0 0
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| 22 |
+
51.4890 -55.2210 60.9460 O 0 0 0 0 0 0 0 0 0 0 0 0
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| 23 |
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53.0830 -54.4870 62.6930 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
51.0210 -53.2240 62.3050 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
1 2 2 0
|
| 26 |
+
1 3 1 6
|
| 27 |
+
1 4 1 0
|
| 28 |
+
1 5 1 0
|
| 29 |
+
5 6 1 0
|
| 30 |
+
6 7 1 0
|
| 31 |
+
7 8 1 1
|
| 32 |
+
7 9 1 0
|
| 33 |
+
7 14 1 0
|
| 34 |
+
9 10 1 1
|
| 35 |
+
9 11 1 0
|
| 36 |
+
11 12 1 6
|
| 37 |
+
11 13 1 0
|
| 38 |
+
13 14 1 0
|
| 39 |
+
13 15 1 1
|
| 40 |
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15 16 1 0
|
| 41 |
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16 17 1 0
|
| 42 |
+
17 18 2 0
|
| 43 |
+
17 19 1 1
|
| 44 |
+
17 20 1 0
|
| 45 |
+
M END
|
| 46 |
+
$$$$
|
5sca__2__1.G__1.KA/receptor_holo_prot_msa.a3m
ADDED
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@@ -0,0 +1,3 @@
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ADDED
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The diff for this file is too large to render.
See raw diff
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5sca__2__1.H__1.OA/ligand.sdf
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| 45 |
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M END
|
| 46 |
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$$$$
|
5sca__2__1.H__1.OA/receptor_holo_prot_msa.a3m
ADDED
|
@@ -0,0 +1,3 @@
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ADDED
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The diff for this file is too large to render.
See raw diff
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|
|
5scb__1__1.A__1.I/ligand.sdf
ADDED
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@@ -0,0 +1,46 @@
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| 44 |
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17 20 1 0
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| 45 |
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M END
|
| 46 |
+
$$$$
|
5scb__1__1.A__1.I/receptor_holo_prot_msa.a3m
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
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| 2 |
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oid sha256:c98682faacee04fbf5b1bcb36ff29315a76a6ad115f98c16b85f30ef86f223ee
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size 13179246
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5scb__1__1.A__1.I/receptor_holo_prot_system.cif
ADDED
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The diff for this file is too large to render.
See raw diff
|
|
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