%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % 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 1 C E 0.84 1.89 3.64 2 C E 0.91 1.38 2.56 3 C E 0.92 1.04 1.88 4 H B 0.92 0.33 1.55 5 H B 0.92 0.08 1.72 6 C B 0.92 0.22 1.83 7 C B 0.93 0.43 1.71 8 C B 0.93 0.04 1.81 9 C B 0.93 -0.30 1.96 10 H B 0.93 -0.45 2.13 11 H B 0.93 -0.55 2.15 12 H B 0.93 -0.58 1.85 13 H B 0.93 -0.60 1.95 14 H B 0.93 -0.75 2.04 15 H B 0.93 -0.77 1.88 16 H B 0.93 -0.85 1.74 17 H B 0.93 -0.89 1.96 18 H B 0.93 -0.71 2.08 19 H B 0.93 -0.68 1.63 20 H B 0.93 -0.75 1.59 21 H B 0.93 -0.64 1.93 22 H B 0.93 -0.61 1.88 23 H B 0.93 -0.73 1.64 24 H B 0.93 -0.60 1.73 25 H B 0.93 -0.47 1.91 26 H B 0.93 -0.54 1.68 27 H B 0.93 -0.54 1.60 28 H B 0.93 -0.46 2.08 29 C E 0.93 -0.37 2.19 30 C B 0.93 -0.55 1.88 31 C B 0.93 -0.64 1.89 32 H B 0.93 -0.46 1.62 33 H E 0.93 -0.32 1.51 34 H B 0.93 -0.64 1.83 35 C B 0.94 -0.42 1.50 36 C B 0.94 -0.22 1.80 37 C E 0.94 0.09 1.73 38 C B 0.94 -0.22 1.53 39 C B 0.97 -0.42 1.83 40 C B 0.97 -0.61 1.31 41 C B 0.97 -0.77 1.12 42 S E 0.97 -0.73 0.78 43 S B 0.97 -0.94 0.92 44 S E 0.97 -1.00 1.02 45 S B 0.97 -0.91 1.16 46 S E 0.97 -0.86 1.51 47 S B 0.97 -0.99 2.02 48 S E 0.97 -0.72 2.65 49 S B 0.97 -0.76 3.22 50 C B 0.97 -0.79 3.90 51 C B 0.97 -0.68 3.83 52 C B 0.97 -0.76 3.33 53 C B 0.97 -0.66 3.16 54 H B 0.97 -0.75 2.57 55 H E 0.97 -0.60 2.69 56 H B 0.97 -0.65 3.03 57 H B 0.97 -0.78 2.64 58 H B 0.97 -0.64 2.45 59 H E 0.97 -0.61 2.90 60 H B 0.97 -0.77 3.13 61 H B 0.97 -0.92 2.75 62 H B 0.97 -0.93 2.31 63 H E 0.97 -0.84 2.59 64 H B 0.97 -0.75 2.73 65 H B 0.97 -0.94 2.17 66 H E 0.97 -0.79 1.94 67 H E 0.97 -0.67 2.54 68 H B 0.97 -0.71 2.51 69 H B 0.96 -0.70 2.27 70 C E 0.97 -0.42 2.51 71 C E 0.97 -0.30 3.04 72 C B 0.97 -0.28 2.48 73 C E 0.97 -0.20 2.52 74 C E 0.97 -0.45 2.35 75 C B 0.97 -0.72 2.33 76 S B 0.97 -0.80 1.89 77 S B 0.97 -0.99 1.55 78 S B 0.97 -1.02 1.43 79 S B 0.97 -1.09 1.32 80 S B 0.97 -1.04 1.40 81 S B 0.96 -1.01 1.54 82 C B 0.97 -0.91 2.22 83 C B 0.97 -0.57 2.59 84 C E 0.97 -0.44 3.25 85 C B 0.97 -0.61 3.32 86 C E 0.97 -0.53 3.06 87 S B 0.97 -0.80 1.95 88 S B 0.97 -0.99 1.61 89 S B 0.97 -1.13 1.25 90 S B 0.97 -1.04 1.08 91 S B 0.97 -1.08 1.20 92 S B 0.97 -1.00 1.11 93 S B 0.97 -0.93 1.31 94 S E 0.97 -0.51 1.64 95 C E 0.97 -0.41 1.82 96 C E 0.97 -0.37 2.24 97 C B 0.97 -0.46 1.77 98 C E 0.97 -0.52 1.73 99 H E 0.97 -0.54 1.59 100 H E 0.97 -0.44 1.40 101 H E 0.97 -0.55 1.96 102 H B 0.97 -0.90 2.11 103 H B 0.97 -0.91 1.74 104 H B 0.97 -0.87 2.10 105 H E 0.97 -0.71 2.18 106 H B 0.97 -0.85 1.85 107 H B 0.97 -0.79 2.07 108 H B 0.97 -0.75 2.38 109 H B 0.97 -0.71 2.47 110 H B 0.97 -0.77 2.44 111 H E 0.97 -0.59 2.67 112 H E 0.97 -0.43 2.78 113 H B 0.97 -0.49 2.85 114 H E 0.94 -0.41 3.01 115 H E 0.92 -0.35 3.67 116 H E 0.96 -0.36 3.61 117 C B 0.97 -0.63 3.23 118 C B 0.97 -0.47 3.76 119 H E 0.96 -0.12 3.93 120 H E 0.90 -0.19 3.89 121 H B 0.90 -0.30 3.36 122 H B 0.89 -0.16 3.23 123 C E 0.85 -0.03 3.70 124 C E 0.87 0.10 3.36 125 C E 0.93 -0.16 2.58 126 S B 0.96 -0.38 2.05 127 S E 0.96 -0.37 1.53 128 S B 0.96 -0.56 1.03 129 S E 0.96 -0.43 1.00 130 S B 0.97 -0.42 0.83 131 C E 0.97 -0.27 1.53 132 C B 0.97 -0.35 2.15 133 C B 0.97 -0.26 2.83 134 C B 0.97 -0.50 3.69 135 C B 0.97 -0.73 2.60 136 S B 0.97 -0.88 1.97 137 S B 0.97 -0.94 1.51 138 S B 0.97 -1.07 1.53 139 S B 0.97 -1.09 1.17 140 S B 0.97 -1.20 1.20 141 S B 0.97 -1.07 1.08 142 S B 0.97 -0.77 1.30 143 C B 0.97 -0.34 2.04 144 C E 0.96 0.11 3.08 145 C E 0.95 0.31 4.38 146 C E 0.94 0.32 4.49 147 C E 0.91 0.08 4.29 148 C B 0.90 -0.19 4.33 149 C B 0.95 -0.36 3.92 150 H E 0.94 -0.43 4.09 151 H E 0.94 -0.73 4.72 152 H B 0.96 -0.68 3.58 153 H B 0.97 -0.86 2.17 154 H B 0.97 -1.04 2.77 155 H B 0.97 -1.07 2.05 156 H B 0.97 -1.01 1.68 157 H B 0.97 -0.93 1.58 158 H B 0.97 -0.76 1.69 159 H B 0.97 -0.65 1.78 160 H B 0.97 -0.83 2.24 161 H B 0.97 -0.77 2.66 162 H E 0.97 -0.40 2.80 163 H E 0.97 -0.28 2.18 164 H B 0.97 -0.49 1.79 165 H B 0.97 -0.64 1.88 166 H E 0.97 -0.59 2.00 167 C B 0.97 -0.54 2.27 168 C B 0.97 -0.45 2.27 169 C E 0.97 -0.18 2.55 170 C B 0.97 -0.54 2.28 171 C B 0.97 -0.73 2.05 172 S B 0.97 -0.68 1.93 173 S E 0.97 -0.50 1.73 174 S B 0.97 -0.65 1.54 175 S B 0.97 -0.61 1.62 176 S B 0.97 -0.95 1.51 177 C B 0.97 -0.74 2.02 178 C B 0.97 -0.68 2.57 179 C B 0.97 -0.67 2.59 180 C B 0.97 -0.67 2.44 181 S B 0.97 -0.84 2.10 182 S B 0.95 -0.97 1.90 183 S B 0.96 -0.98 1.67 184 S B 0.97 -0.99 1.24 185 S B 0.97 -1.02 0.87 186 S B 0.96 -0.98 0.86 187 C B 0.96 -0.75 1.09 188 C B 0.97 -0.61 1.16 189 H B 0.97 -0.57 1.17 190 H E 0.97 -0.27 1.35 191 H B 0.97 -0.47 1.28 192 H B 0.97 -0.37 1.35 193 H E 0.97 -0.20 1.54 194 H E 0.97 -0.14 1.48 195 C B 0.97 -0.33 1.52 196 C E 0.97 -0.23 1.44 197 C B 0.97 -0.55 1.35 198 C B 0.96 -0.46 1.47 199 H B 0.97 -0.61 1.11 200 H E 0.97 -0.45 1.13 201 H B 0.97 -0.51 1.23 202 H B 0.97 -0.58 1.17 203 H E 0.97 -0.56 1.28 204 H E 0.97 -0.48 1.58 205 H B 0.97 -0.68 1.54 206 H B 0.97 -0.64 1.48 207 H E 0.97 -0.45 1.78 208 H E 0.97 -0.40 1.98 209 H B 0.97 -0.62 1.97 210 C E 0.97 -0.50 1.91 211 C E 0.98 -0.47 2.01 212 C B 0.97 -0.38 1.75 213 C B 0.97 -0.65 1.53 214 C B 0.97 -0.68 1.30 215 C B 0.97 -0.48 2.46 216 C B 0.96 -0.56 1.84 217 C E 0.96 -0.46 1.99 218 C B 0.96 -0.43 1.98 219 C B 0.87 -0.33 1.78 220 C B 0.84 -0.30 2.07 221 C E 0.84 -0.15 2.48 222 C B 0.82 -0.32 2.31 223 C E 0.89 -0.17 2.94 224 C E 0.89 0.16 3.62 225 C E 0.91 0.43 2.37 226 C E 0.95 0.24 3.54 227 C E 0.94 -0.10 2.54 228 S E 0.94 -0.38 2.51 229 S B 0.95 -0.71 2.11 230 S B 0.94 -0.73 1.71 231 S B 0.92 -0.73 1.84 232 S B 0.94 -0.75 1.36 233 S B 0.97 -0.81 1.24 234 S E 0.98 -0.68 0.75 235 S B 0.97 -0.63 1.36 236 C E 0.97 -0.36 2.11 237 C B 0.97 -0.46 2.30 238 C B 0.97 -0.42 2.07 239 C B 0.97 -0.55 2.07 240 C E 0.97 -0.33 2.27 241 C E 0.97 -0.36 2.11 242 H B 0.97 -0.36 1.99 243 H E 0.97 -0.12 2.01 244 H E 0.97 -0.32 2.04 245 H B 0.97 -0.26 1.94 246 H E 0.97 -0.35 1.84 247 C E 0.97 -0.41 2.01 248 C B 0.97 -0.32 1.76 249 S B 0.97 -0.37 1.52 250 S B 0.97 -0.59 1.43 251 S B 0.96 -0.39 1.15 252 S B 0.94 -0.31 2.68 253 C B 0.94 0.14 3.85 254 C E 0.92 0.44 5.11 255 C E 0.92 0.44 4.55 256 C B 0.93 0.13 4.23 257 C B 0.93 -0.13 3.04 258 S E 0.93 -0.20 1.69 259 S B 0.96 -0.55 1.16 260 S B 0.96 -0.77 1.29 261 S B 0.95 -0.91 1.29 262 S E 0.95 -0.85 1.46 263 S B 0.96 -0.60 1.41 264 S B 0.96 -0.73 1.19 265 S B 0.96 -0.91 0.93 266 S B 0.97 -0.84 1.06 267 S B 0.97 -0.91 1.17 268 S B 0.97 -0.71 1.37 269 S B 0.97 -0.78 1.46 270 C B 0.97 -0.63 1.48 271 C B 0.97 -0.55 1.56 272 C B 0.97 -0.50 1.56 273 C E 0.97 -0.46 1.45 274 C B 0.97 -0.47 1.31 275 H E 0.97 -0.33 1.49 276 H B 0.98 -0.27 1.42 277 H E 0.98 -0.30 1.43 278 H B 0.98 -0.66 1.21 279 S E 0.98 -0.30 0.88 280 S B 0.98 -0.75 0.88 281 C B 0.97 -0.51 1.12 282 C B 0.97 -0.44 1.15 283 C B 0.98 -0.59 1.37 284 C B 0.98 -0.75 1.22 285 S B 0.97 -0.53 1.48 286 S B 0.97 -0.77 1.32 287 S B 0.97 -0.83 1.51 288 S B 0.97 -0.88 1.33 289 S B 0.97 -0.94 1.53 290 S B 0.98 -1.02 1.49 291 S B 0.98 -0.92 1.62 292 S B 0.98 -0.88 1.87 293 C B 0.98 -0.71 2.52 294 C B 0.98 -0.63 2.81 295 C B 0.99 -0.50 2.73 296 C B 0.99 -0.64 2.67 297 C B 0.99 -0.73 2.58 298 H B 0.99 -0.64 1.74 299 H B 0.99 -0.62 1.49 300 H E 0.98 -0.57 1.86 301 H B 0.99 -0.68 1.76 302 H B 0.99 -0.64 1.61 303 H E 0.99 -0.31 1.76 304 H E 0.99 -0.34 1.88 305 H B 0.99 -0.56 1.61 306 H E 0.99 -0.49 1.63 307 H E 0.99 -0.28 1.84 308 H B 0.99 -0.36 1.81 309 H B 0.99 -0.47 1.68 310 H E 0.98 -0.29 1.91 311 H E 0.98 -0.20 1.92 312 H B 0.98 -0.37 1.97 313 H B 0.98 -0.31 1.96 314 H E 0.98 -0.05 2.29 315 H E 0.97 -0.25 2.35 316 C B 0.97 -0.43 2.27 317 C B 0.99 -0.22 2.24 318 C E 0.98 0.18 2.80 319 C E 0.98 -0.06 2.44 320 C B 0.99 -0.36 2.05 321 S E 0.99 -0.41 1.50 322 S B 0.99 -0.64 1.26 323 S B 0.99 -0.63 1.31 324 S B 0.99 -0.67 1.17 325 S B 0.99 -0.77 1.55 326 C B 0.99 -0.76 1.79 327 C B 0.99 -0.67 1.75 328 C B 0.99 -0.58 1.56 329 C B 0.98 -0.76 1.76 330 H E 0.98 -0.48 2.12 331 H B 0.98 -0.58 2.28 332 H B 0.98 -0.64 2.06 333 H E 0.98 -0.32 1.46 334 H E 0.96 -0.38 1.90 335 H B 0.96 -0.48 2.08 336 H B 0.96 -0.57 1.71 337 H E 0.96 -0.31 1.34 338 H B 0.96 -0.35 1.90 339 H B 0.96 -0.53 1.99 340 H B 0.96 -0.52 1.60 341 H B 0.96 -0.47 1.29 342 H B 0.96 -0.59 1.64 343 H B 0.96 -0.62 1.64 344 H B 0.96 -0.60 1.30 345 H B 0.96 -0.55 1.26 346 H B 0.96 -0.61 1.52 347 H E 0.96 -0.68 1.44 348 H B 0.96 -0.63 1.15 349 H B 0.96 -0.74 1.32 350 H B 0.96 -0.72 1.49 351 H B 0.96 -0.75 1.41 352 H B 0.96 -0.85 1.36 353 H B 0.96 -0.90 1.38 354 H B 0.96 -0.64 1.37 355 H B 0.96 -0.67 1.49 356 H B 0.96 -0.49 1.49 357 H B 0.96 -0.46 1.33 358 C B 0.96 -0.52 1.43 359 C B 0.95 -0.29 1.50 360 C B 0.96 -0.06 1.51 361 C E 0.96 -0.24 1.49 362 H B 0.96 -0.08 1.60 363 H B 0.96 -0.08 1.37 364 H B 0.96 -0.26 1.23 365 H B 0.96 -0.09 1.29 366 C B 0.96 -0.51 1.39 367 C B 0.96 -0.58 1.53 368 H B 0.96 -0.10 1.25 369 H B 0.96 -0.39 1.12 370 H B 0.96 -0.57 0.81 371 H B 0.96 -0.41 0.82 372 H B 0.96 -0.48 1.20 373 H B 0.96 -0.43 0.99 374 H B 0.96 -0.54 0.98 375 H B 0.96 -0.67 1.16 376 H B 0.96 -0.68 1.37 377 H B 0.96 -0.72 1.16 378 H B 0.96 -0.77 0.96 379 H B 0.96 -0.71 1.03 380 H B 0.96 -0.71 1.27 381 H B 0.96 -0.71 1.39 382 H B 0.96 -0.68 1.13 383 H B 0.96 -0.69 1.09 384 H B 0.96 -0.68 1.33 385 H B 0.96 -0.53 1.41 386 C E 0.96 -0.54 1.32 387 C B 0.96 -0.85 1.42 388 C B 0.96 -0.56 1.53 389 H B 0.96 -0.67 1.44 390 H B 0.96 -0.86 1.64 391 H B 0.96 -0.69 1.24 392 H B 0.96 -0.59 1.47 393 H B 0.96 -0.71 1.36 394 H B 0.96 -0.73 1.26 395 H B 0.96 -0.67 1.24 396 H B 0.96 -0.68 1.37 397 H B 0.93 -0.53 1.42 398 H B 0.92 -0.49 1.21 399 H B 0.95 -0.54 1.18 400 H B 0.96 -0.47 1.09 401 H B 0.96 -0.34 1.01 402 H B 0.96 -0.01 1.42 403 C B 0.96 -0.03 0.94 404 S B 0.96 -0.33 0.76 405 S B 0.96 -0.20 1.45 406 C B 0.95 -0.02 1.61 407 C E 0.95 -0.11 1.79 408 C B 0.95 -0.27 1.70 409 S B 0.95 -0.34 0.92 410 S B 0.95 -0.32 0.96 411 S B 0.95 -0.12 1.18 412 S B 0.95 -0.06 1.13 413 S B 0.95 0.05 0.89 414 C B 0.95 0.02 1.33 415 H B 0.96 0.09 1.38 416 H B 0.96 0.15 1.09 417 H B 0.96 0.21 1.09 418 H B 0.96 0.44 1.35 419 H B 0.96 0.36 1.36 420 H E 0.92 0.66 1.67 421 H E 0.93 1.05 1.84 422 C E 0.94 1.06 2.21 423 C E 0.92 0.90 2.20 424 C B 0.91 0.62 1.96 425 C E 0.92 0.61 1.60 426 H B 0.92 0.34 1.36 427 H E 0.92 0.44 1.21 428 H E 0.92 0.47 1.48 429 H B 0.92 0.12 1.47 430 H B 0.95 0.08 1.34 431 H E 0.96 0.21 1.56 432 H E 0.96 0.38 1.57 433 H B 0.96 0.14 1.46 434 H B 0.96 0.02 1.49 435 H E 0.96 0.16 1.60 436 H B 0.96 0.02 1.61 437 H B 0.96 -0.10 1.73 438 H B 0.96 -0.12 1.74 439 H B 0.96 -0.22 1.82 440 H B 0.96 -0.27 1.86 441 H B 0.96 -0.32 1.55 442 H B 0.96 -0.55 1.67 443 H B 0.96 -0.58 1.88 444 H B 0.96 -0.50 1.59 445 H B 0.96 -0.48 1.43 446 H B 0.96 -0.45 1.45 447 H B 0.96 -0.47 1.22 448 H B 0.96 -0.50 1.18 449 H B 0.96 -0.42 1.37 450 H B 0.96 -0.48 1.22 451 H B 0.96 -0.51 0.98 452 H B 0.96 -0.58 1.00 453 H B 0.96 -0.44 0.92 454 H B 0.96 -0.40 0.98 455 H B 0.96 -0.27 1.23 456 H B 0.96 -0.29 1.09 457 H B 0.96 -0.26 1.27 458 C B 0.96 -0.24 1.47 459 C B 0.96 0.14 2.25 460 C B 0.96 0.09 2.07 461 C E 0.95 0.04 1.65 462 H B 0.95 -0.23 1.44 463 H B 0.95 -0.13 1.60 464 H E 0.96 -0.25 1.42 465 H E 0.96 -0.22 1.01 466 H B 0.96 -0.65 1.10 467 H B 0.96 -0.45 1.32 468 H B 0.96 -0.49 1.20 469 H B 0.96 -0.68 1.11 470 H B 0.96 -0.66 1.31 471 H B 0.96 -0.61 1.30 472 H B 0.96 -0.66 1.04 473 H B 0.96 -0.62 0.97 474 H B 0.96 -0.61 1.03 475 H B 0.96 -0.59 1.24 476 H B 0.96 -0.54 1.01 477 H B 0.96 -0.36 1.08 478 H B 0.96 -0.35 1.07 479 H E 0.96 -0.23 1.04 480 H B 0.96 -0.36 1.09 481 H B 0.96 -0.35 1.21 482 H E 0.96 -0.23 1.39 483 H B 0.96 -0.33 1.03 484 H B 0.96 -0.48 1.45 485 H B 0.96 -0.30 1.62 486 H B 0.96 -0.38 1.71 487 H B 0.96 -0.54 1.44 488 C B 0.96 -0.54 1.69 489 H B 0.96 -0.55 1.78 490 H B 0.95 -0.56 1.82 491 H B 0.95 -0.31 1.75 492 H B 0.95 -0.19 1.74 493 H B 0.93 -0.23 2.13 494 H B 0.90 -0.05 1.67 495 H B 0.83 -0.13 1.50 496 C B 0.84 0.01 1.58 497 C B 0.83 0.27 1.83 498 C B 0.80 0.43 2.10 499 C B 0.61 0.67 2.62 500 C E 0.57 0.98 2.88 501 C E 0.56 1.10 5.17 502 C E 0.51 1.25 7.43 503 C E 0.57 1.35 7.41 504 C E 0.56 1.28 8.31 505 C E 0.51 1.17 10.17 506 C E 0.50 1.18 8.70 507 C E 0.51 1.04 6.62 508 C E 0.54 0.90 4.50 509 C B 0.62 0.48 3.97 510 H B 0.66 0.29 3.28 511 H B 0.68 0.09 2.17 512 H B 0.72 0.20 2.42 513 H B 0.78 0.10 2.33 514 H B 0.80 0.10 1.95 515 H B 0.85 -0.01 1.84 516 H B 0.86 0.19 2.16 517 H B 0.90 0.04 2.05 518 H B 0.93 0.03 2.03 519 H B 0.94 0.11 2.18 520 H E 0.94 0.15 2.14 521 H B 0.94 -0.01 1.98 522 H B 0.94 0.09 1.93 523 H E 0.95 0.31 2.30 524 H B 0.95 0.10 2.41 525 H B 0.95 -0.03 2.24 526 H B 0.95 0.13 2.20 527 H E 0.95 0.26 2.33 528 H B 0.94 -0.02 2.26 529 H B 0.94 0.04 2.20 530 H B 0.94 0.17 2.23 531 H B 0.94 0.15 2.30 532 H B 0.94 0.19 2.08 533 H B 0.94 0.09 2.14 534 C E 0.94 0.26 2.31 535 C E 0.95 0.21 1.88 536 H B 0.95 0.05 2.34 537 H B 0.95 0.02 2.05 538 H B 0.95 0.07 1.11 539 H B 0.95 -0.27 1.46 540 H B 0.95 -0.25 1.79 541 H B 0.95 -0.20 1.42 542 H B 0.95 -0.36 1.14 543 H B 0.95 -0.35 1.46 544 H B 0.95 -0.33 1.42 545 H B 0.95 -0.47 1.28 546 H B 0.95 -0.49 1.28 547 H B 0.95 -0.54 1.37 548 H B 0.95 -0.53 1.22 549 H B 0.95 -0.49 1.17 550 H B 0.95 -0.45 1.45 551 H B 0.95 -0.54 1.55 552 H B 0.95 -0.28 1.31 553 H B 0.95 -0.34 1.48 554 H B 0.95 -0.33 1.68 555 H B 0.95 -0.33 1.53 556 H B 0.95 -0.18 1.75 557 C B 0.95 -0.26 1.33 558 C B 0.95 -0.42 1.00 559 C B 0.95 -0.23 1.19 560 C B 0.95 -0.22 1.13 561 C B 0.95 -0.28 0.57 562 C B 0.95 -0.20 0.69 563 C B 0.96 -0.47 0.81 564 H E 0.96 -0.12 1.09 565 H E 0.95 -0.52 1.13 566 C B 0.94 -0.82 1.03 567 C B 0.95 -0.62 1.32 568 S B 0.95 -0.67 1.18 569 S B 0.95 -1.10 0.74 570 S B 0.95 -1.08 0.86 571 S B 0.95 -1.03 0.91 572 S B 0.95 -1.09 0.58 573 S B 0.95 -0.97 0.95 574 S B 0.95 -1.03 0.96 575 S B 0.95 -0.86 0.97 576 C B 0.95 -0.76 1.24 577 C B 0.95 -0.51 1.71 578 C E 0.95 -0.20 1.65 579 C E 0.95 -0.20 1.20 580 C B 0.95 -0.49 0.91 581 H B 0.95 -0.63 1.10 582 H E 0.95 -0.57 1.27 583 H E 0.95 -0.38 1.16 584 H B 0.95 -0.61 1.01 585 H B 0.95 -0.80 0.83 586 H E 0.95 -0.67 1.07 587 H E 0.95 -0.58 0.97 588 H B 0.95 -0.86 0.78 589 H B 0.95 -0.80 0.85 590 H E 0.95 -0.54 1.19 591 H E 0.95 -0.52 1.01 592 H B 0.95 -0.70 0.77 593 H B 0.95 -0.64 1.25 594 H E 0.95 -0.44 1.34 595 H B 0.95 -0.59 0.87 596 H B 0.95 -0.58 1.27 597 H E 0.95 -0.19 1.68 598 C E 0.95 -0.01 1.63 599 C E 0.95 -0.14 1.43 600 C E 0.95 0.01 1.68 601 C E 0.95 -0.15 1.15 602 C B 0.95 -0.52 1.25 603 C E 0.95 -0.46 1.09 604 S B 0.95 -0.69 0.79 605 S B 0.95 -0.99 0.73 606 S B 0.95 -1.09 0.94 607 S B 0.95 -1.02 0.64 608 S B 0.95 -0.97 0.80 609 S B 0.95 -0.91 0.89 610 S B 0.95 -0.82 1.15 611 S B 0.95 -0.65 1.14 612 C B 0.95 -0.38 1.67 613 C B 0.95 -0.13 2.04 614 C B 0.95 -0.09 2.33 615 C B 0.95 -0.12 1.63 616 C B 0.95 -0.37 1.43 617 C B 0.95 -0.62 0.98 618 C B 0.95 -0.67 1.23 619 C B 0.95 -0.76 1.10 620 C B 0.95 -1.03 1.08 621 S B 0.95 -1.08 0.60 622 S B 0.95 -1.03 0.64 623 S B 0.95 -1.01 0.53 624 S B 0.95 -1.10 1.00 625 S B 0.95 -1.01 0.81 626 S E 0.95 -0.80 0.83 627 C B 0.95 -0.73 1.28 628 C B 0.95 -0.46 1.35 629 C E 0.95 -0.30 1.77 630 H B 0.95 -0.15 1.63 631 H E 0.95 0.16 1.46 632 H E 0.95 0.16 1.29 633 C B 0.95 0.36 1.63 634 C E 0.78 0.63 2.11 635 C E 0.60 0.60 3.25 636 C E 0.77 0.56 2.59 637 C E 0.95 0.06 1.81 638 C E 0.95 -0.25 1.31 639 H B 0.95 -0.44 1.08 640 H E 0.90 -0.34 1.19 641 H E 0.90 -0.40 1.10 642 H B 0.95 -0.72 0.99 643 H B 0.95 -0.82 1.03 644 H E 0.95 -0.45 1.20 645 H E 0.95 -0.44 1.26 646 H B 0.95 -0.64 1.35 647 H B 0.95 -0.58 1.33 648 H E 0.89 -0.29 1.60 649 H B 0.95 -0.27 2.51 650 H B 0.94 -0.45 2.41 651 C E 0.88 -0.11 2.17 652 C E 0.93 0.07 2.57 653 C B 0.95 -0.13 2.72 654 C E 0.95 0.06 2.06 655 C B 0.95 -0.09 1.41 656 S B 0.93 -0.37 1.56 657 S B 0.94 -0.58 1.09 658 S B 0.93 -0.79 0.86 659 S B 0.94 -0.75 0.96 660 S B 0.95 -0.74 0.65 661 S B 0.96 -0.64 1.09 662 C E 0.96 -0.42 1.49 663 C B 0.95 -0.30 1.51 664 C B 0.92 -0.22 1.39 665 C B 0.92 -0.05 1.03 666 C B 0.94 0.01 1.46 667 C B 0.95 0.26 3.43 668 C B 0.95 0.35 2.57 669 C B 0.95 0.13 1.86 670 C B 0.93 0.10 2.13 671 C B 0.87 0.25 4.12 672 C B 0.90 0.13 5.04 673 C B 0.96 0.13 3.78 674 C B 0.96 -0.09 3.03 675 S B 0.95 -0.42 2.03 676 S B 0.94 -0.45 1.93 677 S B 0.93 -0.63 1.93 678 S B 0.92 -0.84 1.64 679 S B 0.91 -0.81 1.94 680 S B 0.93 -0.69 2.14 681 S B 0.90 -0.60 2.58 682 C B 0.91 -0.37 3.76 683 C E 0.88 0.01 4.15 684 C E 0.93 0.02 4.00 685 C E 0.94 -0.01 3.54 686 C E 0.95 -0.04 3.19 687 H E 0.96 -0.09 2.52 688 H E 0.96 0.02 2.14 689 H E 0.96 -0.23 2.56 690 H B 0.96 -0.43 2.55 691 H E 0.96 -0.25 2.00 692 H E 0.96 -0.18 2.17 693 H B 0.96 -0.49 2.88 694 H B 0.96 -0.58 2.61 695 H E 0.96 -0.26 2.31 696 H E 0.96 -0.15 3.17 697 H B 0.96 -0.34 3.47 698 H B 0.96 -0.21 3.17 699 H E 0.96 0.09 3.53 700 H B 0.96 0.04 4.27 701 H B 0.96 -0.01 4.44 702 H E 0.96 0.16 4.33 703 C E 0.96 0.25 5.10 704 C E 0.96 0.16 5.49 705 C E 0.96 0.33 5.63 706 C E 0.96 0.17 4.32 707 S B 0.96 -0.16 3.08 708 S B 0.96 -0.16 3.08 709 S B 0.96 -0.18 3.06 710 S B 0.96 -0.38 2.28 711 C B 0.96 -0.17 2.25 712 C B 0.96 -0.40 2.16 713 C E 0.96 0.01 2.46 714 C B 0.96 -0.01 2.31 715 C E 0.96 -0.03 2.65 716 C E 0.96 -0.01 2.91 717 C E 0.95 -0.00 2.00 718 C B 0.95 -0.40 1.30 719 C B 0.95 -0.60 1.72 720 S B 0.95 -0.71 1.21 721 S B 0.95 -0.92 0.89 722 S B 0.95 -0.77 0.91 723 S B 0.95 -0.71 0.78 724 S E 0.95 -0.58 0.81 725 S B 0.94 -0.59 0.79 726 C B 0.94 -0.28 1.45 727 H E 0.94 -0.22 1.81 728 H E 0.94 -0.08 1.81 729 H B 0.94 -0.37 1.93 730 H B 0.94 -0.31 1.95 731 H E 0.94 -0.05 2.16 732 H E 0.94 0.05 2.39 733 C B 0.94 -0.23 2.38 734 C E 0.94 0.07 3.54 735 C B 0.95 -0.21 2.85 736 C E 0.95 -0.20 3.06 737 H B 0.95 -0.40 2.90 738 H E 0.95 -0.31 2.85 739 H E 0.95 -0.35 2.55 740 H B 0.95 -0.61 2.36 741 H B 0.95 -0.64 2.47 742 H B 0.95 -0.69 2.01 743 H B 0.95 -0.81 1.86 744 H B 0.95 -0.92 1.87 745 H B 0.95 -0.85 2.04 746 H B 0.95 -0.88 1.71 747 H B 0.95 -0.83 1.46 748 H B 0.95 -0.78 1.25 749 C B 0.95 -0.70 1.52 750 C B 0.95 -0.84 1.02 751 C B 0.95 -0.94 1.30 752 C B 0.95 -1.00 1.47 753 S B 0.95 -0.96 1.15 754 S B 0.95 -0.95 1.79 755 H B 0.95 -0.86 2.06 756 H B 0.95 -0.79 2.18 757 H B 0.95 -0.63 2.57 758 C E 0.94 -0.49 2.43 759 C E 0.94 -0.28 3.39 760 C B 0.94 -0.42 3.08 761 C B 0.94 -0.58 2.83 762 S B 0.94 -0.93 2.26 763 S B 0.94 -1.02 1.89 764 S B 0.94 -0.96 1.64 765 S B 0.94 -0.99 1.24 766 S B 0.94 -0.92 0.95 767 S B 0.94 -0.92 0.67 768 S B 0.94 -0.85 0.78 769 S B 0.94 -0.71 0.67 770 C B 0.94 -0.48 1.20 771 H E 0.94 -0.38 1.16 772 H E 0.94 -0.07 1.18 773 H B 0.94 -0.21 1.17 774 C B 0.94 -0.38 0.97 775 C E 0.94 -0.24 1.08 776 C E 0.94 -0.09 1.61 777 H B 0.94 -0.30 1.90 778 H E 0.94 -0.18 1.49 779 H B 0.94 -0.22 0.95 780 H B 0.94 -0.21 1.36 781 H E 0.94 -0.16 1.77 782 C E 0.94 -0.07 1.92 783 S B 0.94 -0.21 1.31 784 S E 0.94 -0.21 1.55 785 S B 0.94 -0.34 2.05 786 S B 0.94 -0.20 2.85 787 C B 0.95 0.08 3.42 788 C E 0.95 0.41 4.48 789 C E 0.95 0.42 4.93 790 C E 0.95 0.25 4.83 791 C E 0.95 0.15 3.94 792 S B 0.95 -0.31 2.55 793 S B 0.94 -0.50 1.94 794 S B 0.94 -0.43 1.27 795 C B 0.94 -0.56 1.47 796 C B 0.94 -0.63 1.56 797 C B 0.94 -0.34 2.11 798 S B 0.94 -0.32 1.48 799 S B 0.94 -0.43 0.87 800 S E 0.94 -0.25 1.03 801 S B 0.94 -0.34 0.93 802 S E 0.94 -0.18 1.35 803 S E 0.96 -0.30 1.49 804 S E 0.96 -0.16 1.43 805 S E 0.96 -0.19 1.20 806 C B 0.96 -0.19 1.63 807 C B 0.96 -0.30 1.45 808 C E 0.96 -0.05 1.48 809 H E 0.96 -0.32 1.90 810 H B 0.95 -0.49 1.93 811 H E 0.96 -0.51 1.59 812 H B 0.96 -0.69 1.93 813 C B 0.96 -0.91 2.02 814 C B 0.96 -0.70 2.29 815 C B 0.96 -0.72 2.63 816 C B 0.96 -0.71 2.71 817 S B 0.96 -0.89 2.11 818 S B 0.96 -1.01 1.57 819 S B 0.96 -0.85 1.15 820 S E 0.96 -0.63 1.18 821 S B 0.96 -0.53 1.86 822 S B 0.96 -0.43 2.74 823 S B 0.96 -0.00 3.77 824 S E 0.96 0.29 4.30 825 C B 0.96 0.28 4.64 826 C B 0.95 0.28 4.48 827 C B 0.86 0.51 5.69 828 C B 0.95 0.40 5.28 829 C E 0.95 0.36 5.22 830 C B 0.96 0.04 5.37 831 H B 0.96 -0.07 4.99 832 H B 0.96 -0.32 5.02 833 H E 0.96 -0.03 5.77 834 H B 0.96 -0.41 5.26 835 H B 0.96 -0.35 4.48 836 H E 0.96 -0.00 5.11 837 H B 0.96 -0.17 5.79 838 H B 0.96 -0.34 4.83 839 H B 0.96 -0.16 5.02 840 H E 0.96 0.02 5.80 841 H B 0.96 -0.16 5.03 842 H B 0.96 -0.16 4.54 843 H E 0.96 0.26 5.47 844 H E 0.96 0.30 5.41 845 C B 0.94 -0.02 4.82 846 C E 0.96 -0.07 4.79 847 C E 0.96 0.22 4.40 848 C E 0.96 0.05 4.35 849 C B 0.96 -0.38 3.73 850 C B 0.96 -0.53 3.17 851 S B 0.96 -0.51 2.60 852 S B 0.96 -0.61 2.15 853 S B 0.96 -0.77 2.06 854 C B 0.96 -0.58 1.77 855 H B 0.95 -0.24 2.31 856 H B 0.94 -0.12 2.35 857 H B 0.95 -0.38 3.52 858 H B 0.95 -0.27 4.53 859 H B 0.95 0.06 3.24 860 H B 0.94 0.16 3.36 861 H B 0.94 0.00 5.01 862 H E 0.94 0.32 5.00 863 H B 0.94 0.11 4.58 864 C B 0.95 0.03 5.62 865 C B 0.93 0.12 3.11 866 C B 0.95 0.02 2.99 867 H B 0.88 -0.12 2.66 868 H B 0.89 -0.05 2.87 869 H B 0.96 -0.27 2.46 870 H B 0.96 -0.43 2.23 871 H B 0.96 -0.47 1.89 872 H B 0.96 -0.46 1.73 873 H B 0.96 -0.42 1.68 874 H B 0.96 -0.55 1.44 875 H B 0.96 -0.74 1.23 876 H B 0.96 -0.75 1.36 877 H B 0.96 -0.65 1.28 878 H B 0.96 -0.78 0.94 879 H B 0.96 -0.74 0.99 880 H B 0.96 -0.71 1.25 881 H B 0.96 -0.76 1.12 882 H B 0.95 -0.79 0.96 883 H B 0.95 -0.74 1.13 884 H B 0.95 -0.78 1.59 885 H B 0.95 -0.71 1.46 886 H B 0.95 -0.62 1.55 887 H B 0.95 -0.46 1.56 888 H B 0.95 -0.29 1.39 889 H B 0.96 -0.57 1.38 890 H B 0.96 -0.59 1.50 891 H B 0.96 -0.56 1.45 892 H B 0.96 -0.62 1.13 893 H B 0.96 -0.62 1.31 894 H B 0.96 -0.67 1.34 895 H B 0.96 -0.69 1.09 896 H B 0.96 -0.58 1.11 897 H B 0.96 -0.63 1.07 898 H B 0.96 -0.68 1.06 899 H B 0.96 -0.63 0.97 900 H B 0.96 -0.66 0.97 901 H B 0.96 -0.62 0.79 902 H B 0.96 -0.73 0.76 903 H B 0.96 -0.72 0.92 904 H B 0.96 -0.59 0.88 905 H B 0.96 -0.61 0.57 906 H B 0.96 -0.68 0.94 907 H B 0.96 -0.64 0.79 908 H B 0.96 -0.55 0.74 909 H B 0.96 -0.53 0.58 910 H B 0.96 -0.57 0.67 911 H B 0.96 -0.42 0.94 912 H E 0.96 -0.27 1.04 913 H B 0.96 -0.22 1.31 914 C E 0.95 -0.11 1.27 915 C B 0.96 -0.18 1.13 916 C E 0.96 -0.25 0.84 917 C B 0.96 -0.49 0.97 918 C B 0.96 -0.76 0.77 919 C B 0.96 -0.61 0.59 920 H B 0.96 -0.71 0.73 921 H B 0.96 -0.76 1.12 922 H B 0.96 -0.69 1.05 923 H B 0.96 -0.81 0.75 924 H B 0.96 -0.74 1.14 925 H B 0.96 -0.75 1.36 926 H B 0.96 -0.80 1.11 927 H B 0.96 -0.92 0.95 928 H B 0.96 -0.80 1.45 929 H B 0.96 -0.72 1.44 930 H B 0.96 -0.73 1.16 931 H B 0.96 -0.65 1.08 932 H B 0.96 -0.63 1.21 933 H B 0.95 -0.67 1.12 934 C B 0.95 -0.54 1.26 935 C B 0.95 -0.64 1.38 936 S B 0.95 -0.82 1.08 937 S B 0.95 -0.68 0.63 938 S B 0.95 -0.82 0.73 939 S B 0.95 -0.66 0.88 940 H B 0.96 -0.62 0.95 941 H B 0.96 -0.45 1.00 942 H B 0.95 -0.53 1.17 943 H B 0.93 -0.35 1.34 944 H E 0.93 0.06 1.42 945 H E 0.93 0.22 1.48 946 H B 0.93 0.00 1.73 947 H B 0.93 0.16 1.78 948 H E 0.93 0.57 2.10 949 C E 0.93 0.58 2.37 950 C E 0.94 0.56 2.40 951 C E 0.94 0.43 2.07 952 C E 0.95 0.34 2.02 953 H B 0.95 0.04 1.76 954 H B 0.95 -0.14 1.86 955 H E 0.96 0.08 1.70 956 H B 0.96 -0.09 1.45 957 H B 0.96 -0.39 1.50 958 H B 0.96 -0.25 1.55 959 H B 0.96 0.04 1.43 960 H B 0.96 -0.12 1.21 961 H B 0.96 -0.24 1.25 962 H B 0.96 -0.17 1.18 963 H B 0.96 -0.20 1.36 964 H B 0.96 -0.26 1.37 965 C B 0.96 -0.39 1.36 966 C B 0.96 -0.53 1.27 967 H B 0.95 -0.52 1.38 968 H B 0.95 -0.65 1.37 969 H B 0.96 -0.65 1.40 970 H B 0.96 -0.73 1.34 971 H B 0.96 -0.74 1.69 972 H B 0.96 -0.79 1.97 973 H B 0.96 -0.79 1.94 974 H B 0.96 -0.86 1.88 975 H B 0.96 -0.82 2.11 976 H B 0.96 -0.81 2.13 977 H B 0.96 -0.55 2.20 978 H B 0.96 -0.63 2.34 979 H B 0.96 -0.63 2.48 980 H E 0.96 -0.44 2.46 981 H B 0.96 -0.47 2.13 982 H B 0.96 -0.54 2.15 983 H B 0.96 -0.35 2.23 984 H B 0.96 -0.40 2.09 985 H B 0.96 -0.23 1.93 986 C B 0.95 -0.07 1.88 987 C B 0.95 -0.26 1.63 988 C B 0.95 -0.22 1.28 989 C B 0.94 -0.46 1.42 990 H B 0.94 -0.40 1.34 991 H B 0.94 -0.23 1.02 992 H B 0.94 -0.50 1.33 993 H B 0.94 -0.62 1.61 994 C B 0.94 -0.74 1.62 995 C B 0.93 -0.65 1.75 996 C B 0.93 -0.75 1.81 997 H B 0.94 -0.61 1.70 998 H B 0.93 -0.67 1.47 999 H B 0.93 -0.66 1.31 1000 H B 0.93 -0.59 1.57 1001 H B 0.93 -0.59 1.50 1002 H B 0.93 -0.60 1.29 1003 H B 0.92 -0.69 1.30 1004 H B 0.92 -0.63 1.27 1005 H E 0.92 -0.58 1.17 1006 H B 0.92 -0.61 1.50 1007 H B 0.91 -0.72 1.66 1008 H B 0.91 -0.61 1.22 1009 H E 0.91 -0.54 1.54 1010 H B 0.91 -0.48 1.62 1011 H B 0.91 -0.45 1.91 1012 H E 0.91 -0.45 1.69 1013 H E 0.91 -0.52 1.61 1014 H B 0.91 -0.57 1.27 1015 H B 0.91 -0.61 1.48 1016 H E 0.91 -0.47 1.48 1017 H B 0.91 -0.52 1.64 1018 H B 0.91 -0.53 1.50 1019 H B 0.90 -0.50 1.52 1020 H B 0.90 -0.39 1.61 1021 H B 0.90 -0.37 1.66 1022 H B 0.90 -0.22 1.61 1023 H E 0.87 -0.17 1.64 1024 H B 0.77 0.06 2.17 1025 H B 0.72 0.13 2.40 1026 H E 0.57 0.90 2.94 1027 C E 0.50 1.17 6.57 1028 C E 0.49 1.21 7.71 1029 C E 0.36 1.47 7.02 1030 C E 0.31 1.79 7.24 1031 C E 0.18 2.18 8.00 1032 C E 0.13 2.77 8.92 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).