Upload dataset
Browse files- README.md +313 -4
- array/train-00000-of-00001.parquet +2 -2
README.md
CHANGED
@@ -7,18 +7,327 @@ dataset_info:
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- name: structure
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dtype:
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protein_atom_array_feature:
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-
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all_atoms_present: true
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coords_dtype: float16
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b_factor_is_plddt: true
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b_factor_dtype: float16
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chain_id: A
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splits:
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- name: train
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-
num_bytes:
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num_examples: 8726
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-
download_size:
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-
dataset_size:
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- config_name: default
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features:
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- name: name
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- name: structure
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dtype:
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protein_atom_array_feature:
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+
residue_dictionary:
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+
residue_names:
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+
- ALA
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+
- ARG
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+
- ASN
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+
- ASP
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+
- CYS
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+
- GLN
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+
- GLU
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+
- GLY
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+
- HIS
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+
- ILE
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+
- LEU
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+
- LYS
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+
- MET
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+
- PHE
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+
- PRO
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+
- SER
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+
- THR
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+
- TRP
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+
- TYR
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+
- VAL
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+
- UNK
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+
residue_types:
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+
- A
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+
- R
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+
- N
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+
- D
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+
- C
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+
- Q
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+
- E
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+
- G
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+
- H
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+
- I
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+
- L
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+
- K
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+
- M
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+
- F
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+
- P
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+
- S
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+
- T
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+
- W
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+
- Y
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+
- V
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+
- X
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+
atom_types:
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+
- N
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+
- CA
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+
- C
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+
- CB
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+
- O
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+
- CG
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+
- CG1
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+
- CG2
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+
- OG
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+
- OG1
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+
- SG
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+
- CD
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+
- CD1
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+
- CD2
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+
- ND1
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+
- ND2
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+
- OD1
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+
- OD2
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+
- SD
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+
- CE
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+
- CE1
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+
- CE2
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+
- CE3
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+
- NE
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+
- NE1
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+
- NE2
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+
- OE1
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+
- OE2
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+
- CH2
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+
- NH1
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+
- NH2
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+
- OH
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+
- CZ
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+
- CZ2
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+
- CZ3
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+
- NZ
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+
- OXT
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+
residue_atoms:
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+
ALA:
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+
- N
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+
- CA
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+
- C
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+
- O
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+
- CB
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100 |
+
ARG:
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101 |
+
- N
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+
- CA
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103 |
+
- C
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+
- O
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+
- CB
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+
- CG
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+
- CD
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+
- NE
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+
- CZ
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+
- NH1
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+
- NH2
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+
ASP:
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+
- N
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+
- CA
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+
- C
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+
- O
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+
- CB
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+
- CG
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119 |
+
- OD1
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+
- OD2
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+
ASN:
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+
- N
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+
- CA
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124 |
+
- C
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125 |
+
- O
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126 |
+
- CB
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127 |
+
- CG
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+
- OD1
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129 |
+
- ND2
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130 |
+
CYS:
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+
- N
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+
- CA
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133 |
+
- C
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+
- O
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+
- CB
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+
- SG
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+
SEC:
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138 |
+
- N
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+
- CA
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140 |
+
- C
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141 |
+
- O
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+
- CB
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143 |
+
- SE
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144 |
+
GLU:
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+
- N
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146 |
+
- CA
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147 |
+
- C
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148 |
+
- O
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149 |
+
- CB
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+
- CG
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+
- CD
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152 |
+
- OE1
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153 |
+
- OE2
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154 |
+
GLN:
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155 |
+
- N
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156 |
+
- CA
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157 |
+
- C
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158 |
+
- O
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+
- CB
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+
- CG
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+
- CD
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+
- OE1
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+
- NE2
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+
GLY:
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+
- N
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+
- CA
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+
- C
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+
- O
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+
HIS:
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+
- N
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+
- CA
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+
- C
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+
- O
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+
- CB
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+
- CG
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+
- ND1
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177 |
+
- CE1
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178 |
+
- NE2
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179 |
+
- CD2
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+
ILE:
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+
- N
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+
- CA
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+
- C
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+
- O
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+
- CB
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+
- CG1
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+
- CG2
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188 |
+
- CD1
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189 |
+
LEU:
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190 |
+
- N
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191 |
+
- CA
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192 |
+
- C
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193 |
+
- O
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194 |
+
- CB
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195 |
+
- CG
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196 |
+
- CD1
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197 |
+
- CD2
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198 |
+
LYS:
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199 |
+
- N
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200 |
+
- CA
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201 |
+
- C
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202 |
+
- O
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203 |
+
- CB
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204 |
+
- CG
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205 |
+
- CD
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206 |
+
- CE
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207 |
+
- NZ
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208 |
+
MET:
|
209 |
+
- N
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210 |
+
- CA
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211 |
+
- C
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212 |
+
- O
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213 |
+
- CB
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214 |
+
- CG
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215 |
+
- SD
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216 |
+
- CE
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217 |
+
MSE:
|
218 |
+
- N
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219 |
+
- CA
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220 |
+
- C
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221 |
+
- O
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222 |
+
- CB
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223 |
+
- CG
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224 |
+
- SE
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225 |
+
- CE
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226 |
+
PHE:
|
227 |
+
- N
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228 |
+
- CA
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229 |
+
- C
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230 |
+
- O
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231 |
+
- CB
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232 |
+
- CG
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233 |
+
- CD1
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234 |
+
- CD2
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235 |
+
- CE1
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236 |
+
- CE2
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237 |
+
- CZ
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238 |
+
PRO:
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239 |
+
- N
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240 |
+
- CA
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241 |
+
- C
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242 |
+
- O
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243 |
+
- CB
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244 |
+
- CG
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245 |
+
- CD
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246 |
+
SER:
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247 |
+
- N
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248 |
+
- CA
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249 |
+
- C
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250 |
+
- O
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251 |
+
- CB
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252 |
+
- OG
|
253 |
+
THR:
|
254 |
+
- N
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255 |
+
- CA
|
256 |
+
- C
|
257 |
+
- O
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258 |
+
- CB
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259 |
+
- OG1
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260 |
+
- CG2
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261 |
+
TRP:
|
262 |
+
- N
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263 |
+
- CA
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264 |
+
- C
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265 |
+
- O
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266 |
+
- CB
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267 |
+
- CG
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268 |
+
- CD1
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269 |
+
- NE1
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270 |
+
- CE2
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271 |
+
- CD2
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272 |
+
- CE3
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273 |
+
- CZ2
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274 |
+
- CZ3
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275 |
+
- CH2
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276 |
+
TYR:
|
277 |
+
- N
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278 |
+
- CA
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279 |
+
- C
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280 |
+
- O
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281 |
+
- CB
|
282 |
+
- CG
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283 |
+
- CD1
|
284 |
+
- CD2
|
285 |
+
- CE1
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286 |
+
- CE2
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287 |
+
- CZ
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288 |
+
- OH
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289 |
+
VAL:
|
290 |
+
- N
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291 |
+
- CA
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292 |
+
- C
|
293 |
+
- O
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294 |
+
- CB
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295 |
+
- CG1
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296 |
+
- CG2
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297 |
+
UNK:
|
298 |
+
- N
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299 |
+
- CA
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300 |
+
- C
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301 |
+
- O
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302 |
+
backbone_atoms:
|
303 |
+
- N
|
304 |
+
- CA
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305 |
+
- C
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306 |
+
- O
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307 |
+
unknown_residue_name: UNK
|
308 |
+
conversions:
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309 |
+
- residue: MSE
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310 |
+
to_residue: MET
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311 |
+
atom_swaps:
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312 |
+
- - SE
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313 |
+
- SD
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314 |
+
- residue: SEC
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315 |
+
to_residue: CYS
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316 |
+
atom_swaps:
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317 |
+
- - SE
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318 |
+
- SG
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319 |
all_atoms_present: true
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320 |
coords_dtype: float16
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321 |
b_factor_is_plddt: true
|
322 |
b_factor_dtype: float16
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323 |
chain_id: A
|
324 |
+
with_b_factor: true
|
325 |
splits:
|
326 |
- name: train
|
327 |
+
num_bytes: 237409191.0
|
328 |
num_examples: 8726
|
329 |
+
download_size: 123017394
|
330 |
+
dataset_size: 237409191.0
|
331 |
- config_name: default
|
332 |
features:
|
333 |
- name: name
|
array/train-00000-of-00001.parquet
CHANGED
@@ -1,3 +1,3 @@
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
-
oid sha256:
|
3 |
-
size
|
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:68928797f07b49789ebe9eeabd657b3f6e5cbe8e0452ad446e57a1678c1d2d7b
|
3 |
+
size 123017394
|