%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % B-factor and local structure quality estimation % % in I-TASSER structure modeling % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 1. How was the local accuracy estimated? The local accuracy was defined as the distance deviation (in Angstrom) between residue positions in the model and the native structure. It was estimated using support vector regression that makes use of the coverage of threading alignment, divergence of I-TASSER simulation decoys, and sequence-based secondary structure and solvent accessibility predictions. Large-scale benchmark tests show that the estimated local accuracy has an average error of 2.21 Angstrom and the Pearson's correlation coefficient between estimated and actual error is 0.7. Based on these tests, the local accuracy estimations tend to be more accurate for residues: 1) that have higher threading alignment coverage 2) that are located at alpha-helix and beta-strand regions 3) that are buried (at 25% threshold) The estimated local accuracy for each model is available at the columns 61-66 in the model's PDB file and also at the bottom of this page (columns with label RSQ_*). 2. What is normalized B-factor? Normalized B-factor for a target protein is defined as z-score-based normalization of the raw B-factor values. The normalized B-factor (called B-factor profile, BFP) is predicted using a combination of both template-based assignment and profile-based prediction. Based on the distributions and predictions of the BFP, residues with BFP values higher than 0 are less stable in experimental structures. The estimated normalized B-factor is shown at the bottom of this page. For more information about the local accuracy and normalized B-factor predictions, please refer to the following article: J Yang, Y Wang, Y Zhang. ResQ: An approach to unified estimation of B-factor and residue-specific error in protein structure prediction, Journal of Molecular Biology, 428: 693-701 (2016). #RES SS SA COV BFP RSQ_1 RSQ_2 1 C E 0.58 1.77 4.84 7.06 2 C E 0.59 1.02 4.38 6.53 3 C E 0.68 0.36 4.19 5.10 4 S E 0.71 -0.10 3.73 4.80 5 S B 0.71 -0.74 3.81 4.51 6 S B 0.87 -1.03 2.95 4.19 7 S B 0.98 -1.15 2.69 3.98 8 S B 0.98 -1.21 2.14 3.98 9 S B 0.98 -1.11 2.55 4.00 10 S B 0.98 -1.10 2.14 3.92 11 S B 0.98 -0.93 2.07 3.99 12 S B 0.98 -0.68 2.21 4.00 13 S E 0.99 -0.26 1.94 3.93 14 S E 0.98 0.03 2.01 4.05 15 S E 0.96 0.36 2.56 4.23 16 C E 0.95 0.48 3.39 4.47 17 C E 0.95 0.34 2.82 4.47 18 C E 0.96 -0.07 2.23 4.37 19 S B 0.98 -0.47 1.94 3.99 20 S B 0.99 -0.64 2.17 3.93 21 S B 0.99 -0.87 2.30 3.91 22 S B 0.99 -0.92 2.51 3.91 23 S B 0.99 -0.99 2.75 3.90 24 S B 0.99 -1.02 2.49 3.90 25 S B 0.99 -0.75 2.72 3.91 26 S E 0.96 -0.45 2.79 3.99 27 C B 0.97 -0.21 3.52 4.33 28 C E 0.86 0.19 3.59 4.69 29 C E 0.97 0.28 3.76 4.49 30 C B 1.00 -0.06 3.97 4.36 31 C E 0.95 -0.22 3.78 4.44 32 S B 0.99 -0.49 2.81 3.95 33 S B 0.99 -0.64 2.45 3.93 34 S B 0.99 -0.76 2.65 3.92 35 S B 0.99 -0.75 2.70 3.92 36 S B 0.99 -0.73 2.55 3.93 37 S B 0.99 -0.69 2.41 3.96 38 C E 0.99 -0.37 2.54 4.36 39 C E 0.98 -0.20 2.77 4.41 40 C B 0.99 -0.41 2.46 4.30 41 C B 0.99 -0.52 2.31 4.24 42 S B 0.99 -0.70 2.00 4.14 43 S B 0.99 -0.83 2.12 3.93 44 S B 0.99 -0.77 2.50 3.92 45 S B 0.99 -0.78 2.69 3.93 46 S B 0.99 -0.63 2.72 3.94 47 S E 0.98 -0.22 3.51 4.04 48 C B 0.99 0.08 4.51 4.32 49 C E 0.98 0.44 4.00 4.43 50 C E 0.95 0.74 3.86 4.49 51 C E 0.95 0.83 4.91 4.48 52 C B 0.95 0.74 4.62 6.11 53 C E 0.90 0.60 5.83 6.27 54 H B 0.89 0.40 6.47 6.21 55 H E 0.91 0.41 6.89 6.57 56 H E 0.92 0.28 8.54 5.97 57 H B 0.90 0.03 9.16 6.27 58 H E 0.92 0.07 7.64 5.64 59 H E 0.85 0.10 7.25 5.52 60 H B 0.84 -0.06 8.72 4.63 61 H B 0.86 -0.03 9.51 4.59 62 H E 0.87 0.23 10.59 4.57 63 H E 0.87 0.42 10.95 4.58 64 H B 0.87 0.33 11.75 4.59 65 H E 0.88 0.41 12.95 4.58 66 C E 0.92 0.55 10.98 4.57 67 C E 0.93 0.51 8.48 4.48 68 C E 0.91 0.43 4.96 4.47 69 C E 0.97 0.41 5.17 4.41 70 C B 0.97 0.22 3.51 4.35 71 S B 0.96 -0.01 4.26 4.10 72 S E 0.97 -0.13 2.71 4.01 73 S E 0.97 -0.09 2.21 4.00 74 S B 0.97 -0.23 2.97 3.99 75 S E 0.96 -0.15 2.54 4.08 76 S E 0.97 -0.11 2.97 4.08 77 S B 0.98 -0.27 3.00 4.15 78 S E 0.98 -0.16 3.17 4.41 79 S E 0.87 -0.05 3.57 4.96 80 S E 0.98 -0.28 3.09 5.30 81 S E 0.92 -0.39 3.10 5.29 82 S B 0.96 -0.49 4.25 5.63 83 S B 0.88 -0.25 6.05 6.09 84 C E 0.95 -0.07 7.06 6.40 85 C E 0.97 0.11 6.53 4.53 86 C E 0.95 0.15 4.85 4.41 87 S B 0.95 -0.05 4.10 4.12 88 S E 0.98 -0.16 3.46 4.03 89 S B 0.98 -0.47 3.19 3.99 90 S B 0.98 -0.57 2.81 4.04 91 S B 0.98 -0.73 2.66 4.03 92 S B 0.98 -0.71 2.61 3.95 93 S B 0.98 -0.71 2.43 3.95 94 S B 0.98 -0.59 2.27 3.95 95 S B 0.98 -0.46 2.23 4.13 96 C B 0.99 -0.34 2.39 4.36 97 H B 0.99 -0.37 2.30 4.30 98 H E 0.92 -0.25 2.55 4.39 99 H B 0.90 -0.30 2.59 4.43 100 H B 0.97 -0.27 2.58 4.33 101 H E 0.97 -0.14 2.98 4.33 102 H E 0.99 -0.13 3.42 4.31 103 H B 0.98 -0.29 3.08 4.33 104 H B 0.98 -0.18 2.77 4.32 105 H E 0.98 0.10 2.82 4.33 106 H B 0.97 0.03 2.74 4.35 107 H B 0.91 0.05 2.81 4.43 108 H E 0.90 0.35 3.31 4.46 109 H E 0.79 0.46 3.46 4.71 110 C E 0.82 0.40 3.67 4.63 111 C E 0.87 0.51 5.20 4.59 112 C E 0.93 0.27 3.87 4.48 113 C B 0.92 0.09 4.13 4.45 114 C B 0.97 0.07 3.68 4.37 115 C E 0.98 -0.11 4.42 4.33 116 S B 0.98 -0.51 3.75 4.13 117 S B 0.98 -0.63 3.60 4.11 118 S B 0.98 -0.74 4.38 4.11 119 C B 0.98 -0.58 4.93 4.29 120 C B 0.98 -0.50 4.41 4.36 121 C B 0.97 -0.46 3.10 4.37 122 C E 0.99 -0.37 3.08 4.34 123 H B 0.99 -0.69 2.39 4.24 124 H B 0.99 -0.51 2.52 4.24 125 H B 0.99 -0.65 2.79 4.23 126 S B 0.99 -0.76 2.51 4.12 127 S B 0.99 -0.92 2.05 4.03 128 S B 0.99 -0.89 2.12 4.02 129 S B 0.99 -0.86 2.26 4.00 130 S B 0.99 -0.77 2.36 4.04 131 C B 0.99 -0.57 2.46 4.32 132 C E 0.99 -0.46 2.39 4.37 133 C B 0.98 -0.63 2.16 4.34 134 C B 0.97 -0.57 2.40 4.33 135 C B 0.98 -0.63 2.56 4.29 136 C B 0.98 -0.61 3.55 4.21 137 S B 0.86 -0.66 5.22 4.46 138 S B 0.86 -0.70 6.73 4.34 139 S B 0.71 -0.78 8.35 4.51 140 S B 0.70 -0.59 10.03 4.54 141 S B 0.69 -0.51 11.34 4.66 142 S B 0.69 -0.39 13.28 4.75 143 C B 0.71 -0.30 13.53 4.90 144 C E 0.71 -0.03 14.16 5.01 145 C E 0.71 0.03 13.36 5.02 146 C B 0.71 -0.11 10.40 5.00 147 C E 0.71 -0.16 8.74 4.96 148 C E 0.73 -0.18 6.72 4.86 149 C E 0.73 -0.25 6.03 5.06 150 C E 0.73 -0.31 5.56 5.17 151 C B 0.71 -0.51 4.82 5.44 152 C E 0.69 -0.43 5.28 5.97 153 C B 0.70 -0.45 5.54 6.04 154 C B 0.73 -0.46 6.14 5.35 155 C E 0.71 -0.40 6.73 5.08 156 C B 0.70 -0.44 7.58 4.92 157 C E 0.70 -0.45 8.02 4.92 158 C E 0.70 -0.40 9.10 4.96 159 C B 0.69 -0.41 9.26 5.05 160 C E 0.68 -0.32 9.63 5.08 161 C E 0.69 -0.38 8.54 4.99 162 C B 0.66 -0.46 7.60 5.01 163 C B 0.66 -0.40 7.32 5.02 164 C B 0.66 -0.22 6.69 5.02 165 C B 0.69 -0.08 6.07 4.99 166 C E 0.70 0.05 5.15 5.00 167 H E 0.70 0.16 4.64 4.98 168 H E 0.81 0.09 3.31 4.70 169 H E 0.82 -0.06 4.08 4.62 170 C B 0.98 -0.11 3.46 4.32 171 C B 0.99 -0.23 2.95 4.31 172 C B 0.99 -0.31 3.45 4.28 173 C B 0.99 -0.52 2.90 4.24 174 C B 0.99 -0.64 2.84 4.22 175 S B 0.99 -0.76 2.36 4.15 176 S B 0.99 -0.81 2.31 4.05 177 S B 0.99 -0.84 2.45 3.97 178 S B 0.99 -0.82 2.65 3.99 179 S B 0.99 -0.71 3.11 4.08 180 S B 0.99 -0.60 3.16 4.14 181 S B 0.99 -0.41 3.35 4.17 182 S B 0.99 -0.35 3.60 4.23 183 C B 0.99 -0.09 4.18 4.31 184 C B 0.95 0.18 4.75 4.44 185 C E 0.89 0.40 5.25 4.59 186 C E 0.77 0.35 5.24 4.75 187 C E 0.74 0.38 6.04 4.78 188 C B 0.81 0.36 6.21 4.67 189 C E 0.98 0.55 6.50 4.44 190 C E 0.98 0.55 5.04 4.45 191 C E 0.98 0.45 3.64 4.44 192 C E 0.96 0.53 3.86 4.55 193 C E 0.95 0.31 3.76 4.51 194 C E 0.98 -0.06 3.78 4.46 195 C B 0.99 -0.35 3.66 4.44 196 C B 0.99 -0.61 3.46 4.43 197 S B 0.98 -0.88 3.22 4.06 198 S B 0.98 -0.95 2.99 4.00 199 S B 0.98 -0.96 2.76 3.98 200 S B 0.98 -0.87 2.82 3.97 201 S B 0.98 -0.82 2.62 3.96 202 S B 0.98 -0.73 2.60 4.01 203 S B 0.98 -0.51 3.11 4.01 204 C E 0.99 -0.14 3.79 4.30 205 C E 0.99 0.21 6.24 4.36 206 C E 0.99 0.15 8.71 4.37 207 C E 0.99 0.11 8.58 4.35 208 C E 0.99 0.00 7.94 4.35 209 S E 0.99 -0.04 7.67 4.12 210 S B 0.98 -0.24 7.62 4.06 211 S B 0.99 -0.32 6.68 4.16 212 S E 0.99 -0.21 4.89 4.19 213 C E 0.95 0.03 5.08 5.36 214 C E 0.96 -0.01 4.32 5.91 215 C E 0.93 0.06 4.39 5.59 216 C E 0.99 -0.09 3.92 4.47 217 H B 0.99 -0.28 3.66 4.46 218 H E 0.99 -0.19 3.65 4.38 219 H E 0.99 -0.22 3.19 4.37 220 H B 0.99 -0.53 3.17 4.36 221 H B 0.98 -0.68 3.18 4.36 222 H E 0.98 -0.55 3.13 4.37 223 H E 0.99 -0.59 3.11 4.34 224 H B 0.99 -0.76 3.08 4.33 225 H B 0.99 -0.66 3.08 4.33 226 H E 0.99 -0.44 3.29 4.33 227 H B 0.99 -0.52 3.33 4.32 228 H B 0.99 -0.49 3.16 4.32 229 H E 0.99 -0.23 3.22 4.33 230 H E 0.98 -0.03 3.45 4.36 231 C B 0.97 -0.29 3.42 4.48 232 C B 0.98 -0.42 3.16 4.40 233 C B 0.99 -0.70 2.94 4.37 234 C B 0.99 -0.77 2.69 4.35 235 S B 0.98 -0.92 2.07 3.92 236 S B 0.98 -1.04 2.01 3.91 237 S B 0.98 -0.99 2.21 3.92 238 S B 0.98 -0.86 3.02 3.97 239 C B 0.98 -0.79 3.12 4.24 240 C B 0.99 -0.66 3.54 4.36 241 C B 0.99 -0.59 3.45 4.37 242 C B 0.99 -0.42 3.53 4.33 243 C B 0.99 -0.46 3.39 4.39 244 C B 0.99 -0.56 3.30 4.35 245 C B 0.99 -0.63 2.80 4.11 246 H B 0.99 -0.69 3.17 4.32 247 H E 0.99 -0.56 3.15 4.33 248 H B 0.99 -0.67 3.12 4.34 249 H B 0.99 -0.70 3.25 4.34 250 H B 0.99 -0.62 3.20 4.33 251 H E 0.99 -0.41 3.03 4.35 252 H B 0.99 -0.46 3.21 4.36 253 H B 0.99 -0.43 3.49 4.35 254 H E 0.99 -0.12 3.34 4.36 255 H E 0.99 -0.06 3.33 4.38 256 C B 0.99 -0.11 3.92 4.51 257 C E 0.99 0.01 4.27 4.46 258 C B 0.99 -0.18 4.19 4.37 259 C E 0.99 -0.17 4.54 4.31 260 H B 0.99 -0.34 4.47 4.38 261 H E 0.98 -0.32 3.85 4.41 262 H B 0.98 -0.45 3.72 4.40 263 C B 0.98 -0.44 3.42 4.54 264 C B 0.98 -0.26 3.41 5.14 265 C E 0.96 -0.08 3.29 5.56 266 C E 0.82 0.02 3.34 6.68 267 C E 0.96 0.27 4.09 5.84 268 C E 0.93 0.33 4.41 6.00 269 C E 0.90 0.40 5.35 5.61 270 C E 0.91 0.52 4.39 4.90 271 C E 0.90 0.65 4.72 4.63 272 C E 0.88 0.61 5.89 4.56 273 C E 0.88 0.60 5.70 4.55 274 C E 0.89 0.44 5.55 4.51 275 C E 0.91 0.34 4.14 4.43 276 C E 0.97 0.37 4.14 4.38 277 C E 0.99 0.04 3.59 4.19 278 S B 0.99 -0.50 3.77 4.09 279 S B 0.99 -0.51 4.04 3.96 280 S B 0.99 -0.58 3.51 4.01 281 C B 0.99 -0.58 3.66 4.33 282 C B 0.99 -0.72 3.90 4.31 283 S B 0.99 -0.73 3.66 4.02 284 S B 0.99 -0.89 2.35 3.97 285 H B 0.99 -0.78 2.42 4.22 286 H B 0.99 -0.68 2.78 4.34 287 H B 0.99 -0.66 3.13 4.36 288 H B 0.99 -0.67 3.08 4.29 289 H B 0.99 -0.54 3.26 4.31 290 H E 0.99 -0.40 3.30 4.30 291 H B 0.99 -0.42 2.95 4.30 292 H B 0.99 -0.35 2.83 4.32 293 H E 0.99 -0.03 2.92 4.33 294 H E 0.99 0.19 3.06 4.41 295 H E 0.99 0.23 2.66 4.42 296 H B 0.99 0.11 2.55 4.46 297 C E 0.99 0.26 2.52 4.43 298 C B 0.99 0.08 2.42 4.41 299 C E 0.99 0.16 2.66 4.43 300 C E 0.99 -0.02 3.20 4.40 301 C B 0.99 -0.20 3.01 4.37 302 C B 0.99 -0.36 3.09 4.38 303 H B 0.99 -0.32 3.28 4.34 304 H B 0.99 -0.31 3.29 4.35 305 H B 0.99 -0.36 3.23 4.35 306 H B 0.99 -0.46 3.31 4.34 307 H B 0.99 -0.33 3.34 4.33 308 H E 0.99 -0.09 3.26 4.34 309 H B 0.99 -0.16 3.28 4.34 310 H B 0.97 -0.15 3.35 4.37 311 H B 0.85 0.12 3.64 4.64 312 C E 0.84 0.46 6.22 4.66 313 C E 0.85 0.64 4.94 4.71 314 C E 0.75 0.66 5.42 5.00 315 C E 0.93 0.67 4.94 4.74 316 C E 0.81 0.73 6.29 4.91 317 C E 0.66 0.74 7.22 5.09 318 C B 0.53 0.61 5.83 5.26 319 C E 0.52 0.56 5.82 5.29 320 C E 0.62 0.45 5.06 5.13 321 C B 0.64 0.28 4.06 5.09 322 C E 0.70 0.28 4.81 5.04 323 H E 0.76 0.26 4.87 4.91 324 H E 0.87 0.32 4.77 4.71 325 H E 0.93 0.16 4.55 4.56 326 H B 0.97 -0.14 4.24 4.43 327 H E 0.97 -0.12 4.67 4.44 328 H E 0.97 -0.04 5.26 4.45 329 H B 0.97 -0.21 4.56 4.44 330 H B 0.96 -0.20 4.48 4.46 331 H E 0.97 0.29 5.36 4.49 332 C E 0.97 0.37 5.83 4.52 333 C E 0.97 0.43 5.68 4.60 334 C E 0.93 0.48 6.73 4.64 335 C E 0.96 0.18 5.04 4.58 336 H B 0.99 -0.15 4.34 4.40 337 H E 0.98 -0.20 4.84 4.40 338 H B 0.97 -0.32 5.09 4.41 339 H B 0.99 -0.47 4.41 4.37 340 H B 0.99 -0.58 3.82 4.37 341 H E 0.99 -0.43 4.08 4.36 342 H B 0.99 -0.56 4.13 4.36 343 H B 0.99 -0.58 3.37 4.35 344 H B 0.99 -0.56 2.99 4.34 345 H E 0.99 -0.46 3.29 4.34 346 H B 0.99 -0.53 3.34 4.34 347 H B 0.99 -0.62 2.84 4.32 348 H B 0.98 -0.60 2.42 4.33 349 H B 0.99 -0.71 2.65 4.32 350 H B 0.99 -0.81 2.53 4.31 351 H B 0.99 -0.77 2.50 4.29 352 H E 0.99 -0.56 2.77 4.30 353 H B 0.99 -0.76 2.99 4.30 354 H B 0.99 -0.75 3.01 4.29 355 H E 0.99 -0.56 2.97 4.29 356 H B 0.98 -0.55 3.96 4.32 357 H B 0.99 -0.70 4.08 4.38 358 H B 0.99 -0.62 3.93 4.30 359 H E 0.97 -0.60 2.78 4.32 360 H B 0.99 -0.69 2.19 4.29 361 H B 0.98 -0.81 2.45 4.29 362 H B 0.99 -0.86 2.45 4.27 363 H B 0.99 -0.84 2.25 4.28 364 H B 0.99 -0.85 2.21 4.28 365 H B 0.99 -0.80 2.37 4.27 366 H B 0.99 -0.68 2.38 4.28 367 H B 0.99 -0.75 2.48 4.29 368 H B 0.99 -0.71 2.65 4.32 369 C B 0.96 -0.82 2.23 4.40 370 C B 0.99 -0.81 2.40 4.32 371 C B 0.99 -0.72 2.37 4.33 372 H B 0.99 -0.72 2.28 4.27 373 H B 0.99 -0.59 2.26 4.27 374 H B 0.99 -0.53 2.25 4.27 375 H B 0.98 -0.55 2.70 4.30 376 C B 0.97 -0.47 3.35 4.45 377 C B 0.98 -0.39 3.10 4.44 378 C B 0.99 -0.42 2.83 4.34 379 C B 0.98 -0.41 2.58 4.30 380 C B 0.98 -0.48 3.18 4.41 381 C B 0.99 -0.51 3.65 4.40 382 S B 0.99 -0.43 3.52 4.13 383 S B 0.99 -0.70 3.16 4.05 384 S B 0.99 -1.04 2.99 4.10 385 H B 0.99 -0.65 3.19 4.17 386 H B 0.99 -0.70 3.23 4.16 387 H B 0.99 -0.88 3.19 4.27 388 H B 0.99 -1.01 3.09 4.28 389 H B 0.99 -0.89 3.48 4.29 390 H B 0.99 -0.76 3.33 4.29 391 H B 0.99 -0.68 3.18 4.31 392 H B 0.99 -0.74 3.31 4.32 393 H B 0.99 -0.48 3.76 4.32 394 H E 0.99 -0.15 4.07 4.34 395 C E 0.99 -0.09 3.96 4.40 396 C E 0.99 -0.23 3.39 4.41 397 C B 0.99 -0.61 3.38 4.37 398 C B 0.99 -0.57 2.88 4.35 399 C B 0.99 -0.49 3.09 4.36 400 C B 0.99 -0.54 3.63 4.36 401 C B 0.97 -0.31 3.35 4.35 402 C B 0.91 0.02 5.32 4.43 403 C E 0.87 0.43 3.62 4.50 404 H E 0.84 0.67 4.50 4.63 405 H E 0.78 0.68 4.34 4.69 406 H E 0.79 0.79 3.37 4.69 407 H E 0.81 0.81 4.42 4.67 408 H E 0.84 0.76 2.89 4.65 409 C E 0.86 0.45 2.92 4.54 410 C B 0.87 0.08 2.85 4.50 411 C E 0.88 0.08 2.65 4.53 412 C B 0.88 -0.16 2.73 4.60 413 C B 0.88 -0.25 2.61 4.57 414 S B 0.91 -0.34 2.43 4.20 415 S B 0.98 -0.33 2.48 4.10 416 S B 0.98 -0.20 3.02 4.25 417 C E 0.98 -0.00 3.58 4.38 418 C B 0.98 -0.21 3.40 4.47 419 C E 0.98 -0.14 3.20 4.50 420 C E 0.97 -0.13 3.22 4.53 421 C B 0.97 -0.30 3.08 4.48 422 C B 0.97 -0.41 2.80 4.52 423 S B 0.97 -0.43 2.41 4.29 424 S E 0.97 -0.28 2.61 4.32 425 S B 0.97 -0.50 2.37 4.24 426 S B 0.98 -0.69 2.68 4.08 427 S B 0.98 -0.73 2.37 4.07 428 S B 0.98 -0.75 2.35 4.11 429 C B 0.98 -0.56 2.57 4.35 430 C B 0.98 -0.41 2.56 4.37 431 C B 0.98 -0.52 2.38 4.37 432 C B 0.98 -0.47 2.86 4.41 433 C B 0.98 -0.50 2.23 4.46 434 C B 0.98 -0.53 2.51 4.46 435 C B 0.98 -0.60 2.52 4.49 436 C B 0.98 -0.68 2.55 4.47 437 H B 0.98 -0.78 2.63 4.39 438 H B 0.99 -0.77 2.42 4.36 439 H B 0.99 -0.67 2.39 4.32 440 H B 0.99 -0.61 2.31 4.32 441 H B 0.99 -0.54 2.67 4.35 442 H B 0.99 -0.64 2.81 4.44 443 C B 0.99 -0.65 2.99 4.43 444 C B 0.99 -0.57 3.16 4.37 445 C B 0.99 -0.56 3.04 4.40 446 H B 0.99 -0.49 3.24 4.37 447 H B 0.97 -0.38 3.24 4.40 448 H B 0.97 -0.34 3.26 4.41 449 H B 0.97 -0.39 3.41 4.48 450 C B 0.98 -0.01 3.54 4.37 451 C E 0.98 0.18 4.17 4.43 452 C E 0.98 0.46 5.18 4.47 453 C E 0.98 0.45 6.40 4.47 454 C E 0.95 0.44 6.39 4.52 455 C E 0.95 0.47 6.40 4.64 456 C E 0.91 0.40 5.62 4.97 457 C B 0.84 0.23 4.29 6.21 458 C E 0.86 0.16 3.93 5.49 459 C E 0.93 -0.01 4.14 5.36 460 C B 0.96 -0.08 3.65 5.12 461 C B 0.95 0.02 3.31 5.16 462 C E 0.89 0.07 3.31 5.16 463 C E 0.86 0.06 3.35 5.16 464 C B 0.84 -0.12 3.31 4.73 465 S E 0.84 -0.19 3.30 4.48 466 S B 0.84 -0.43 3.10 4.36 467 S B 0.86 -0.38 2.89 4.43 468 S E 0.91 -0.16 2.75 4.45 469 C E 0.95 -0.01 2.66 4.42 470 C E 0.98 0.04 2.74 4.36 471 C E 0.98 -0.17 2.46 4.40 472 C B 0.98 -0.50 3.22 4.40 473 C B 0.98 -0.65 2.73 4.39 474 C B 0.98 -0.74 2.46 4.45 475 H B 0.98 -0.63 2.83 4.37 476 H E 0.98 -0.52 3.12 4.36 477 H B 0.98 -0.65 2.66 4.35 478 H B 0.98 -0.62 2.29 4.35 479 H E 0.99 -0.30 2.95 4.35 480 H E 0.99 -0.35 3.43 4.34 481 H B 0.99 -0.62 3.09 4.33 482 H B 0.99 -0.51 2.70 4.34 483 H E 0.99 -0.27 3.60 4.35 484 H B 0.99 -0.45 4.22 4.33 485 H B 0.99 -0.53 3.85 4.33 486 H E 0.99 -0.32 3.65 4.35 487 H E 0.99 -0.21 4.65 4.34 488 H B 0.99 -0.40 5.07 4.33 489 H B 0.99 -0.30 4.71 4.34 490 H E 0.99 0.06 4.86 4.36 491 H E 0.98 0.06 6.01 4.37 492 H B 0.98 0.01 6.21 4.36 493 H E 0.95 0.25 6.16 4.43 494 H E 0.90 0.56 7.70 4.66 495 C E 0.91 0.57 9.27 5.24 496 C E 0.87 0.61 10.79 5.87 497 C E 0.92 0.42 11.54 5.31 498 H E 0.86 0.49 11.14 5.13 499 H E 0.97 0.28 10.98 4.44 500 H B 0.97 -0.02 9.99 4.52 501 H B 0.97 -0.14 8.90 4.58 502 H E 0.97 -0.17 8.66 4.34 503 H B 0.97 -0.44 8.15 4.33 504 H B 0.99 -0.59 7.08 4.31 505 H E 0.99 -0.50 6.53 4.31 506 H B 0.99 -0.52 6.16 4.30 507 H E 0.99 -0.62 5.51 4.30 508 H B 0.99 -0.65 4.83 4.32 509 H B 0.99 -0.57 4.71 4.31 510 H B 0.99 -0.64 4.08 4.30 511 H B 0.99 -0.74 3.57 4.31 512 C B 0.99 -0.71 3.29 4.37 513 C B 0.98 -0.65 3.16 4.23 514 C B 0.98 -0.73 2.64 4.36 515 C B 0.98 -0.71 2.54 4.41 516 C B 0.98 -0.67 2.99 4.43 517 C B 0.98 -0.70 2.76 4.41 518 C B 0.97 -0.69 2.85 4.43 519 C B 0.98 -0.84 3.01 4.36 520 C B 0.98 -0.76 2.90 4.42 521 C B 0.98 -0.72 2.78 4.40 522 C B 0.98 -0.80 2.79 4.42 523 C B 0.98 -0.71 2.78 4.43 524 C B 0.98 -0.59 2.72 4.34 525 C B 0.99 -0.45 2.85 4.29 526 C B 0.99 -0.39 3.17 4.32 527 C B 0.99 -0.51 3.30 4.33 528 C B 0.99 -0.57 3.07 4.35 529 C B 0.99 -0.62 3.44 4.36 530 C B 0.99 -0.51 2.79 4.37 531 C B 0.99 -0.37 2.87 4.42 532 H E 0.99 -0.37 2.62 4.38 533 H E 0.99 -0.39 2.71 4.39 534 H B 0.99 -0.65 2.55 4.37 535 H B 0.99 -0.70 2.56 4.37 536 H B 0.98 -0.66 2.95 4.40 537 H B 0.99 -0.73 2.76 4.39 538 H B 0.99 -0.87 2.50 4.37 539 H B 0.99 -0.83 2.63 4.38 540 H E 0.99 -0.63 2.74 4.40 541 H B 0.99 -0.70 2.58 4.41 542 H B 0.99 -0.76 2.48 4.41 543 H B 0.99 -0.66 2.72 4.42 544 H E 0.99 -0.50 2.76 4.43 545 H B 0.99 -0.56 2.56 4.42 546 H B 0.99 -0.56 2.61 4.41 547 H E 0.99 -0.37 2.93 4.43 548 H E 0.98 -0.40 2.89 4.45 549 H B 0.99 -0.55 2.46 4.43 550 H B 0.99 -0.46 2.82 4.43 551 H E 0.99 -0.29 3.15 4.45 552 H B 0.99 -0.30 3.04 4.45 553 H B 0.99 -0.38 2.86 4.44 554 H E 0.99 -0.13 3.07 4.46 555 H E 0.99 0.11 3.38 4.48 556 H B 0.98 0.01 2.92 4.58 557 C E 0.99 -0.15 3.49 4.50 558 C B 0.99 -0.31 3.13 4.45 559 S E 0.98 -0.32 2.92 4.40 560 S B 0.98 -0.58 2.43 4.23 561 S B 0.98 -0.71 2.56 4.11 562 S B 0.98 -0.62 2.46 4.08 563 S B 0.98 -0.58 2.80 4.13 564 C B 0.98 -0.44 2.76 4.43 565 C B 0.98 -0.54 2.84 4.41 566 C B 0.98 -0.45 2.16 4.39 567 C B 0.98 -0.52 2.19 4.44 568 S B 0.98 -0.59 3.01 4.23 569 S B 0.98 -0.63 2.66 4.08 570 S B 0.98 -0.56 2.90 4.07 571 S E 0.97 -0.34 2.37 4.16 572 C E 0.98 -0.16 3.15 4.33 573 C E 0.99 0.08 4.14 4.48 574 C E 0.99 0.13 4.99 4.56 575 C E 0.99 -0.02 4.09 4.53 576 H B 0.95 -0.10 5.71 4.49 577 H E 0.98 -0.03 6.32 4.43 578 H E 0.99 -0.07 7.90 4.43 579 H B 0.99 -0.31 7.62 4.42 580 H B 0.99 -0.46 6.11 4.40 581 H E 0.99 -0.29 5.02 4.41 582 H E 0.99 -0.28 4.42 4.42 583 H B 0.99 -0.41 3.17 4.40 584 H B 0.99 -0.28 2.80 4.40 585 H E 0.99 0.14 3.25 4.45 586 C E 0.98 0.18 3.31 4.57 587 C B 0.98 0.00 3.25 4.47 588 C E 0.97 -0.03 3.01 4.45 589 S B 0.98 -0.32 2.60 4.24 590 S E 0.98 -0.16 2.35 4.14 591 S B 0.98 -0.25 2.15 4.11 592 S E 0.98 -0.15 2.21 4.07 593 S B 0.98 -0.25 2.10 4.10 594 H B 0.98 -0.26 2.22 4.30 595 H E 0.98 -0.29 2.12 4.35 596 H B 0.98 -0.26 2.37 4.35 597 H B 0.98 -0.48 2.51 4.25 598 H B 0.98 -0.37 2.54 4.45 599 H B 0.97 -0.58 2.66 4.46 600 H B 0.91 -0.74 2.99 4.53 601 H B 0.97 -0.69 2.45 4.32 602 H B 0.97 -0.27 2.63 4.35 603 H B 0.84 -0.22 2.99 4.65 604 H B 0.37 -0.25 4.55 5.53 605 C E 0.97 -0.09 3.81 4.48 606 C E 0.87 -0.15 4.14 4.74 607 C B 0.98 -0.36 2.65 4.39 608 S B 0.98 -0.48 2.17 4.29 609 S B 0.98 -0.65 2.19 4.10 610 S B 0.98 -0.71 2.36 4.06 611 S B 0.98 -0.60 2.15 4.04 612 S B 0.98 -0.46 2.27 4.04 613 S B 0.97 -0.33 2.49 4.14 614 C E 0.98 0.19 4.20 4.54 615 C E 0.98 0.43 4.17 5.03 616 C E 0.97 0.38 4.09 6.25 617 C E 0.93 0.21 2.87 8.35 618 S B 0.92 -0.06 2.53 9.20 619 S B 0.93 -0.11 2.71 9.76 620 S B 0.93 -0.19 2.84 9.69 621 S B 0.93 -0.37 2.40 10.51 622 C B 0.97 -0.31 2.45 11.07 623 C B 0.98 -0.22 2.57 9.54 624 S B 0.95 -0.06 2.73 9.82 625 S B 0.92 -0.04 2.31 7.88 626 S B 0.93 -0.05 2.31 8.20 627 C B 0.93 0.07 2.53 8.19 628 C B 0.93 0.11 2.91 8.42 629 C E 0.97 0.20 2.74 7.68 630 C B 0.96 -0.07 2.62 5.97 631 H B 0.96 -0.21 2.84 5.49 632 H E 0.97 -0.15 2.50 5.06 633 H B 0.97 -0.33 2.61 4.91 634 H B 0.97 -0.42 2.60 4.79 635 H B 0.97 -0.34 2.47 4.45 636 H E 0.97 -0.17 2.48 4.45 637 H B 0.97 -0.41 2.58 4.47 638 H B 0.97 -0.38 2.50 4.46 639 H E 0.97 -0.16 2.40 4.45 640 H E 0.97 -0.25 2.36 4.46 641 H B 0.97 -0.57 2.48 4.47 642 H B 0.95 -0.58 2.56 4.49 643 H E 0.95 -0.37 2.34 4.48 644 H B 0.95 -0.34 2.52 4.50 645 H B 0.95 -0.48 2.51 4.50 646 H B 0.95 -0.25 2.62 4.50 647 C E 0.96 0.25 2.60 4.61 648 C E 0.97 0.24 2.79 4.55 649 C E 0.97 0.27 2.65 4.58 650 C E 0.96 0.14 2.99 4.73 651 H B 0.95 0.05 2.99 4.83 652 H E 0.95 0.24 3.19 4.90 653 H E 0.95 0.11 3.00 4.65 654 H B 0.97 -0.24 3.02 4.67 655 H B 0.98 -0.26 3.15 4.50 656 H E 0.98 -0.13 3.11 4.50 657 H B 0.98 -0.30 3.04 4.49 658 H B 0.98 -0.37 3.11 4.49 659 H E 0.98 -0.21 3.17 4.51 660 H E 0.98 -0.04 2.97 4.50 661 H B 0.98 -0.23 2.99 4.49 662 H B 0.98 -0.27 3.24 4.51 663 H E 0.96 -0.01 3.37 4.55 664 H E 0.96 0.00 3.41 4.54 665 H B 0.96 -0.13 3.44 4.54 666 H E 0.96 0.13 3.35 4.57 667 C E 0.96 0.42 3.84 4.64 668 C E 0.96 0.42 3.83 4.64 669 C E 0.96 0.48 3.36 4.62 670 C B 0.96 0.13 3.22 4.59 671 C E 0.96 0.21 3.18 4.58 672 H B 0.93 0.07 2.91 4.60 673 H E 0.96 0.18 3.08 4.48 674 H E 0.96 0.02 3.18 4.48 675 H B 0.96 -0.18 3.03 4.49 676 H B 0.96 -0.33 3.04 4.52 677 H B 0.96 -0.38 2.97 4.55 678 H B 0.96 -0.23 2.94 4.44 679 H B 0.96 -0.24 2.81 4.44 680 H E 0.95 0.07 2.72 4.46 681 C B 0.95 -0.01 2.99 4.42 682 C E 0.93 0.18 3.13 4.45 683 C B 0.95 0.42 2.61 4.50 684 C E 0.86 0.54 3.95 4.66 685 H B 0.79 0.67 4.65 4.81 686 H E 0.79 0.82 6.01 4.82 687 H E 0.86 0.78 5.43 4.72 688 C B 0.90 0.56 3.69 4.61 689 C E 0.87 0.76 2.69 4.69 690 C E 0.86 0.67 2.69 4.69 691 C E 0.87 0.48 3.28 4.69 692 C E 0.88 0.20 2.46 4.69 693 H B 0.90 -0.12 2.64 4.60 694 H B 0.90 -0.28 2.93 4.57 695 H B 0.91 -0.34 2.86 4.56 696 H B 0.90 -0.29 2.84 4.59 697 H B 0.90 -0.39 3.20 4.58 698 H B 0.90 -0.32 3.42 4.57 699 H B 0.90 -0.10 3.01 4.59 700 H B 0.89 -0.09 3.35 4.62 701 H B 0.88 -0.11 4.54 4.63 702 H E 0.89 0.16 7.38 4.63 703 H E 0.85 0.43 7.45 4.79 704 C E 0.85 0.50 4.86 4.76 705 C E 0.89 0.62 4.70 4.68 706 C E 0.90 0.66 4.67 4.66 707 C E 0.90 0.59 5.60 4.61 708 C B 0.91 0.43 4.87 4.60 709 C E 0.90 0.49 4.67 4.60 710 C E 0.93 0.49 4.26 4.53 711 C E 0.93 0.32 3.19 4.54 712 C E 0.92 0.09 2.93 4.56 713 S B 0.93 -0.20 2.54 4.19 714 S B 0.93 -0.39 2.54 4.21 715 S B 0.93 -0.47 2.74 4.21 716 S B 0.93 -0.55 2.77 4.14 717 S B 0.93 -0.54 2.79 4.16 718 S B 0.93 -0.45 2.80 4.18 719 S B 0.93 -0.27 2.93 4.20 720 S B 0.93 0.18 3.26 4.46 721 C E 0.90 0.53 3.30 4.71 722 C E 0.89 0.74 4.33 4.76 723 C E 0.86 0.80 3.51 4.77 724 C E 0.89 0.59 3.57 4.69 725 C B 0.89 0.34 3.49 4.67 726 C E 0.89 0.38 3.32 4.64 727 C E 0.95 0.35 3.04 4.56 728 C E 0.91 0.11 3.21 4.60 729 C B 0.93 -0.03 3.02 4.61 730 C E 0.90 -0.06 3.62 4.74 731 C B 0.90 -0.11 4.00 4.71 732 H B 0.86 -0.00 3.96 4.79 733 H E 0.85 0.15 4.55 4.79 734 H B 0.80 0.25 4.52 4.89 735 H B 0.84 0.37 4.08 4.86 736 C E 0.86 0.52 4.26 4.80 737 C E 0.88 0.75 3.43 4.73 738 C E 0.90 0.69 3.02 4.72 739 C B 0.90 0.38 3.59 4.70 740 C E 0.93 0.21 3.69 4.66 741 C B 0.93 -0.16 3.90 4.65 742 C B 0.95 -0.07 3.63 4.64 743 H B 0.95 -0.18 3.50 4.56 744 H E 0.95 0.10 3.38 4.57 745 H B 0.95 -0.16 3.24 4.56 746 H E 0.95 -0.18 3.27 4.54 747 H B 0.95 -0.26 3.30 4.55 748 H E 0.95 -0.10 3.23 4.63 749 H E 0.95 -0.17 3.12 4.63 750 H B 0.95 -0.33 3.05 4.62 751 C B 0.90 -0.36 3.41 4.73 752 H B 0.95 -0.26 3.19 4.55 753 H B 0.93 -0.32 3.46 4.55 754 H B 0.93 -0.47 3.48 4.53 755 H B 0.95 -0.44 3.22 4.52 756 H B 0.95 -0.34 3.20 4.53 757 H B 0.95 -0.42 2.49 4.51 758 H B 0.95 -0.49 2.27 4.51 759 H B 0.95 -0.37 2.70 4.61 760 H E 0.95 -0.21 3.33 4.62 761 H B 0.95 -0.21 3.25 4.64 762 H B 0.91 -0.17 4.15 4.72 763 C E 0.90 0.00 4.60 4.70 764 C B 0.91 0.17 6.36 4.70 765 C E 0.89 0.25 6.21 4.71 766 H B 0.88 0.23 8.28 6.83 767 H E 0.78 0.36 7.32 7.46 768 H E 0.77 0.30 4.10 7.67 769 H B 0.73 0.16 5.15 7.95 770 H E 0.70 0.32 6.46 7.81 771 C E 0.59 0.48 6.60 8.72 772 C E 0.53 0.47 6.84 8.40 773 C E 0.45 0.44 7.29 8.60 774 C B 0.46 0.39 7.68 9.09 775 C E 0.45 0.33 8.37 10.02 776 H B 0.49 0.27 9.51 10.34 777 H E 0.46 0.33 10.75 10.67 778 H E 0.42 0.46 12.01 10.96 779 H B 0.42 0.36 12.58 10.69 780 H B 0.36 0.36 11.70 10.88 781 C E 0.38 1.25 11.84 11.07 782 C E 0.42 2.06 11.44 11.47 RES: Residue number SS: Predicted secondary structure: C - random coil; H - alpha-helix; S - beta-strand SA: Predicted solvent accessibility at 25% cutoff: E - exposed; B - buried COV: Threading alignment coverage defined as the number of threading alignments on the residue divided by the number of total threading programs BFP: Predicted normalized B-factor RSQ_*: Residue-Specific Quality of models defined as the estimated deviation of the residue on the model from the native structure of the protein You are requested to cite the following article when you use the ResQ prediction results: J Yang, Y Wang, Y Zhang. ResQ: An approach to unified estimation of B-factor and residue-specific error in protein structure prediction, Journal of Molecular Biology, 428: 693-701 (2016).