Should you encounter any unexpected behaviour,
please let us know.

* 1AOL_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 *

B-factor analysis for ID 240220085659142820

Overall B-factor prediction

Correlation= -0.539 for 228 C-alpha atoms.

B-factors for all residues

Residue-by-residue B-factor prediction for CA atoms

B-factors are computed based on the first 100 normal modes (B-PREDICT) and are scaled to match the overall B-factors in the submitted model (B-SCALED). A high correlation with the observations is an indicator that the normal modes capture well the overall flexibility features of the model. Comparison of the observed (B-OBS, blue) and the computed (B-SCALED, red) B-factors for all C-alpha atoms is presented below. Differences between B-factors from normal mode analysis and from X-ray crystallographic data may for example indicate regions where the protein flexibility is modified due to external factors such as tight crystall-packing.

ATOM TYP RES RESID B-PREDICT B-SCALED B-OBS	B-SCALED	B-OBS
2 CA GLN 1 0.0919 92.9322 87.8100
11 CA VAL 2 0.0535 91.6254 92.5600
18 CA TYR 3 0.0330 90.9261 95.1900
30 CA ASN 4 0.0345 90.9773 96.5600
38 CA ILE 5 0.0186 90.4352 97.5000
46 CA THR 6 0.0183 90.4252 98.4400
53 CA TRP 7 0.0115 90.1929 98.7500
67 CA GLU 8 0.0127 90.2339 98.7500
76 CA VAL 9 0.0109 90.1726 98.8100
83 CA THR 10 0.0110 90.1775 98.4400
90 CA ASN 11 0.0110 90.1775 97.4400
98 CA GLY 12 0.0150 90.3133 95.1200
102 CA ASP 13 0.0304 90.8380 94.5000
110 CA ARG 14 0.0231 90.5873 95.5000
121 CA GLU 15 0.0193 90.4592 96.8800
130 CA THR 16 0.0177 90.4053 98.0000
137 CA VAL 17 0.0143 90.2878 98.2500
144 CA TRP 18 0.0139 90.2770 98.5600
158 CA ALA 19 0.0176 90.4031 98.5600
163 CA ILE 20 0.0186 90.4356 98.5600
171 CA SER 21 0.0289 90.7869 98.2500
177 CA GLY 22 0.0319 90.8892 97.1200
181 CA ASN 23 0.0393 91.1395 97.0000
189 CA HIS 24 0.0328 90.9183 96.0600
199 CA PRO 25 0.0353 91.0029 95.1900
206 CA LEU 26 0.0286 90.7759 93.7500
214 CA TRP 27 0.0239 90.6164 95.0600
228 CA THR 28 0.0303 90.8335 96.0000
235 CA TRP 29 0.0186 90.4342 97.7500
249 CA TRP 30 0.0184 90.4282 98.3100
263 CA PRO 31 0.0171 90.3832 98.3800
270 CA VAL 32 0.0162 90.3555 98.6900
277 CA LEU 33 0.0123 90.2197 98.8100
285 CA THR 34 0.0138 90.2714 98.6200
292 CA PRO 35 0.0113 90.1865 98.3800
299 CA ASP 36 0.0091 90.1107 98.0000
307 CA LEU 37 0.0070 90.0391 97.6200
315 CA CYS 38 0.0067 90.0311 97.1200
321 CA MET 39 0.0086 90.0940 97.6200
329 CA LEU 40 0.0079 90.0698 97.6900
337 CA ALA 41 0.0102 90.1478 96.5600
342 CA LEU 42 0.0124 90.2256 96.3100
350 CA SER 43 0.0196 90.4701 92.5600
356 CA GLY 44 0.0181 90.4197 87.1900
360 CA PRO 45 0.0241 90.6225 87.9400
367 CA PRO 46 0.0287 90.7786 89.5600
374 CA HIS 47 0.0153 90.3216 89.6200
384 CA TRP 48 0.0101 90.1469 92.5000
398 CA GLY 49 0.0147 90.3015 91.5000
402 CA LEU 50 0.0141 90.2808 94.3800
410 CA GLU 51 0.0311 90.8597 92.9400
419 CA TYR 52 0.0561 91.7114 91.9400
431 CA GLN 53 0.0266 90.7079 94.8100
440 CA ALA 54 0.0312 90.8659 95.0600
445 CA PRO 55 0.0232 90.5929 95.1900
452 CA TYR 56 0.0283 90.7660 94.8100
464 CA SER 57 0.0282 90.7625 95.5000
470 CA SER 58 0.0403 91.1748 94.7500
476 CA PRO 59 0.0187 90.4393 94.1200
483 CA PRO 60 0.0192 90.4561 90.6200
490 CA GLY 61 0.0272 90.7298 78.2500
494 CA PRO 62 0.0338 90.9539 82.8800
501 CA PRO 63 0.0240 90.6198 76.7500
508 CA CYS 64 0.0289 90.7877 76.8800
514 CA CYS 65 0.0374 91.0745 80.1900
520 CA SER 66 0.0569 91.7388 76.6900
526 CA GLY 67 0.3015 100.0707 69.1900
530 CA SER 68 0.3464 101.5987 62.1200
536 CA SER 69 0.8403 118.4213 63.6900
542 CA GLY 70 0.6277 111.1797 67.5000
546 CA SER 71 0.1661 95.4601 69.5000
552 CA SER 72 0.1550 95.0809 71.1900
558 CA ALA 73 0.1932 96.3831 72.8100
563 CA GLY 74 0.0927 92.9609 73.9400
567 CA CYS 75 0.0341 90.9627 80.0000
573 CA SER 76 0.0257 90.6779 80.5000
579 CA ARG 77 0.0541 91.6430 76.7500
590 CA ASP 78 0.0418 91.2243 78.0000
598 CA CYS 79 0.0304 90.8385 78.8800
604 CA ASP 80 0.0580 91.7768 79.6200
612 CA GLU 81 0.0514 91.5538 82.7500
621 CA PRO 82 0.0506 91.5242 82.5600
628 CA LEU 83 0.0169 90.3783 86.8800
636 CA THR 84 0.0205 90.5003 86.6900
643 CA SER 85 0.0214 90.5313 82.8800
649 CA LEU 86 0.0333 90.9351 80.5600
657 CA THR 87 0.0171 90.3841 79.3800
664 CA PRO 88 0.0110 90.1760 81.2500
671 CA ARG 89 0.0090 90.1079 86.6200
682 CA CYS 90 0.0081 90.0783 92.7500
688 CA ASN 91 0.0131 90.2479 89.3100
696 CA THR 92 0.0124 90.2228 90.1200
703 CA ALA 93 0.0129 90.2400 91.1200
708 CA TRP 94 0.0113 90.1880 89.6900
722 CA ASN 95 0.0079 90.0697 91.1200
730 CA ARG 96 0.0077 90.0628 93.0600
741 CA LEU 97 0.0096 90.1294 91.5000
749 CA LYS 98 0.0093 90.1193 90.9400
758 CA LEU 99 0.0069 90.0370 93.6900
766 CA ASP 100 0.0080 90.0761 94.1900
774 CA GLN 101 0.0110 90.1755 91.9400
783 CA VAL 102 0.0110 90.1764 92.8100
790 CA THR 103 0.0099 90.1378 95.3800
797 CA HIS 104 0.0133 90.2554 94.3800
807 CA LYS 105 0.0247 90.6416 91.6900
816 CA SER 106 0.0256 90.6751 83.3100
822 CA SER 107 0.0294 90.8026 89.0600
828 CA GLU 108 0.0155 90.3294 91.1900
837 CA GLY 109 0.0083 90.0851 95.8800
841 CA PHE 110 0.0071 90.0429 97.2500
852 CA TYR 111 0.0065 90.0223 97.9400
864 CA VAL 112 0.0063 90.0153 98.5000
871 CA CYS 113 0.0064 90.0203 97.8800
877 CA PRO 114 0.0072 90.0489 97.1900
884 CA GLY 115 0.0103 90.1521 95.3100
888 CA SER 116 0.0167 90.3707 90.0600
894 CA HIS 117 0.0179 90.4133 91.1900
904 CA ARG 118 0.0167 90.3695 86.5000
915 CA PRO 119 0.0620 91.9125 82.1200
922 CA ARG 120 0.0989 93.1688 76.1200
933 CA GLU 121 0.1146 93.7059 72.5600
942 CA ALA 122 0.0500 91.5043 79.0000
947 CA LYS 123 0.0635 91.9648 77.5600
956 CA SER 124 0.0520 91.5737 91.0000
962 CA CYS 125 0.0199 90.4789 93.7500
968 CA GLY 126 0.0254 90.6679 93.5000
972 CA GLY 127 0.0286 90.7773 94.3100
976 CA PRO 128 0.0278 90.7485 94.1900
983 CA ASP 129 0.0652 92.0239 93.6200
991 CA SER 130 0.0234 90.5987 94.8100
997 CA PHE 131 0.0093 90.1186 96.1900
1008 CA TYR 132 0.0094 90.1209 96.6200
1020 CA CYS 133 0.0110 90.1750 96.0600
1026 CA ALA 134 0.0224 90.5666 94.8800
1031 CA SER 135 0.0381 91.0982 92.9400
1037 CA TRP 136 0.0333 90.9376 90.8800
1051 CA GLY 137 0.0287 90.7781 92.2500
1055 CA CYS 138 0.0139 90.2741 95.2500
1061 CA GLU 139 0.0098 90.1344 96.8100
1070 CA THR 140 0.0102 90.1495 97.5000
1077 CA THR 141 0.0093 90.1186 98.4400
1084 CA GLY 142 0.0094 90.1215 97.3800
1088 CA ARG 143 0.0113 90.1855 95.9400
1099 CA VAL 144 0.0128 90.2392 95.7500
1106 CA TYR 145 0.0291 90.7931 95.6900
1118 CA TRP 146 0.0285 90.7727 95.5000
1132 CA LYS 147 0.0322 90.8978 96.2500
1141 CA PRO 148 0.0207 90.5073 96.1900
1148 CA SER 149 0.0467 91.3933 96.6900
1154 CA SER 150 0.0259 90.6853 94.9400
1160 CA SER 151 0.0478 91.4315 93.6900
1166 CA TRP 152 0.0276 90.7425 94.8100
1180 CA ASP 153 0.0113 90.1878 97.3100
1188 CA TYR 154 0.0111 90.1792 98.4400
1200 CA ILE 155 0.0094 90.1224 98.7500
1208 CA THR 156 0.0107 90.1678 98.7500
1215 CA VAL 157 0.0102 90.1485 98.6900
1222 CA ASP 158 0.0114 90.1920 97.9400
1230 CA ASN 159 0.0124 90.2244 97.6900
1238 CA ASN 160 0.0162 90.3524 97.6200
1246 CA LEU 161 0.0243 90.6303 96.5000
1254 CA THR 162 0.0320 90.8933 94.5600
1261 CA THR 163 0.0261 90.6925 90.5000
1268 CA SER 164 0.0417 91.2213 93.8800
1274 CA GLN 165 0.0373 91.0735 95.8100
1283 CA ALA 166 0.0199 90.4798 93.5600
1288 CA VAL 167 0.0269 90.7173 92.3100
1295 CA GLN 168 0.0399 91.1598 93.2500
1304 CA VAL 169 0.0255 90.6703 94.8800
1311 CA CYS 170 0.0168 90.3757 91.3800
1317 CA LYS 171 0.0314 90.8721 89.5000
1326 CA ASP 172 0.0413 91.2078 91.8100
1334 CA ASN 173 0.0215 90.5352 91.8100
1342 CA LYS 174 0.0250 90.6539 94.6900
1351 CA TRP 175 0.0128 90.2368 96.2500
1365 CA CYS 176 0.0123 90.2203 95.8800
1371 CA ASN 177 0.0084 90.0866 97.1900
1379 CA PRO 178 0.0114 90.1908 98.1200
1386 CA LEU 179 0.0098 90.1363 98.6200
1394 CA ALA 180 0.0116 90.1962 98.5000
1399 CA ILE 181 0.0109 90.1720 98.8800
1407 CA GLN 182 0.0134 90.2581 98.7500
1416 CA PHE 183 0.0132 90.2510 98.7500
1427 CA THR 184 0.0169 90.3787 98.6200
1434 CA ASN 185 0.0507 91.5280 98.1200
1442 CA ALA 186 0.0309 90.8554 97.3800
1447 CA GLY 187 0.0159 90.3442 97.8100
1451 CA LYS 188 0.0189 90.4456 98.2500
1460 CA GLN 189 0.0371 91.0648 96.9400
1469 CA VAL 190 0.0228 90.5799 94.9400
1476 CA THR 191 0.0295 90.8064 94.1200
1483 CA SER 192 0.0236 90.6051 96.1900
1489 CA TRP 193 0.0127 90.2350 97.7500
1503 CA THR 194 0.0181 90.4179 96.4400
1510 CA THR 195 0.0311 90.8598 95.7500
1517 CA GLY 196 0.0133 90.2563 97.1200
1521 CA HIS 197 0.0096 90.1299 98.0600
1531 CA TYR 198 0.0094 90.1205 97.8800
1543 CA TRP 199 0.0060 90.0067 98.5000
1557 CA GLY 200 0.0066 90.0259 98.1200
1561 CA LEU 201 0.0060 90.0071 98.0000
1569 CA ARG 202 0.0064 90.0215 96.8100
1580 CA LEU 203 0.0076 90.0610 96.0000
1588 CA TYR 204 0.0102 90.1480 95.0600
1600 CA VAL 205 0.0168 90.3736 91.8800
1607 CA SER 206 0.0303 90.8347 85.0000
1613 CA GLY 207 0.0540 91.6413 86.5000
1617 CA ARG 208 0.0373 91.0714 90.4400
1628 CA ASP 209 0.0124 90.2235 93.6900
1636 CA PRO 210 0.0112 90.1851 94.0600
1643 CA GLY 211 0.0078 90.0691 94.9400
1647 CA LEU 212 0.0072 90.0469 96.0000
1655 CA THR 213 0.0078 90.0689 97.6200
1662 CA PHE 214 0.0077 90.0658 98.4400
1673 CA GLY 215 0.0085 90.0908 98.5000
1677 CA ILE 216 0.0083 90.0831 98.7500
1685 CA ARG 217 0.0109 90.1716 98.4400
1696 CA LEU 218 0.0113 90.1861 98.4400
1704 CA ARG 219 0.0194 90.4622 97.7500
1715 CA TYR 220 0.0246 90.6392 95.8800
1727 CA GLN 221 0.0580 91.7765 94.0000
1736 CA ASN 222 0.0637 91.9707 87.3100
1744 CA LEU 223 0.0869 92.7611 83.1900
1752 CA GLY 224 0.1562 95.1220 77.0600
1756 CA PRO 225 0.3912 103.1245 73.6200
1763 CA ARG 226 0.4411 104.8247 63.9100
1774 CA VAL 227 1.4255 138.3511 56.7500
1781 CA PRO 228 3.2487 200.4467 58.6600

If you find results from this site helpful for your research, please cite one of our papers:

K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.

elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.

Should you encounter any unexpected behaviour, please let us know.