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

* EXP_1QNX_unrelaxed_rank_001_alphafold2_ptm_model_1_seed_000 *

B-factor analysis for ID 24021912510351363

Overall B-factor prediction

Correlation= -0.676 for 209 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 ALA 1 0.1879 145.1319 52.4700
7 CA GLU 2 0.1301 127.4280 50.7500
16 CA ALA 3 0.0972 117.3398 54.6600
21 CA GLU 4 0.0527 103.7130 61.5000
30 CA PHE 5 0.0301 96.8081 63.0300
41 CA ASN 6 0.0432 100.8159 66.5600
49 CA ASN 7 0.0303 96.8415 85.5600
57 CA TYR 8 0.0175 92.9484 93.1200
69 CA CYS 9 0.0319 97.3506 93.6200
75 CA LYS 10 0.0534 103.9246 93.3100
84 CA ILE 11 0.0283 96.2441 93.7500
92 CA LYS 12 0.0485 102.4259 92.1200
101 CA CYS 13 0.0327 97.5985 93.6200
107 CA LEU 14 0.0660 107.7811 88.5000
115 CA LYS 15 0.0800 112.0756 85.1200
124 CA GLY 16 0.0847 113.5133 90.8100
128 CA GLY 17 0.0484 102.4000 92.1200
132 CA VAL 18 0.0277 96.0486 94.6900
139 CA HIS 19 0.0119 91.2161 97.1200
149 CA THR 20 0.0092 90.4035 96.5000
156 CA ALA 21 0.0113 91.0456 95.7500
161 CA CYS 22 0.0161 92.4947 95.5600
167 CA LYS 23 0.0208 93.9513 95.3100
176 CA TYR 24 0.0179 93.0509 94.3800
188 CA GLY 25 0.0226 94.4947 86.7500
192 CA SER 26 0.0241 94.9550 89.7500
198 CA LEU 27 0.0223 94.4162 94.5600
206 CA LYS 28 0.0317 97.2968 95.2500
215 CA PRO 29 0.0186 93.2573 97.3800
222 CA ASN 30 0.0209 93.9857 96.9400
230 CA CYS 31 0.0236 94.8024 96.7500
236 CA GLY 32 0.0796 111.9528 95.8800
240 CA ASN 33 0.0857 113.8177 95.0000
248 CA LYS 34 0.0381 99.2476 97.4400
257 CA VAL 35 0.0319 97.3508 97.7500
264 CA VAL 36 0.0209 93.9692 98.1900
271 CA VAL 37 0.0234 94.7312 97.8100
278 CA SER 38 0.0207 93.9144 97.8800
284 CA TYR 39 0.0120 91.2375 97.6900
296 CA GLY 40 0.0186 93.2768 97.8100
300 CA LEU 41 0.0201 93.7195 98.3100
308 CA THR 42 0.0377 99.1240 98.2500
315 CA LYS 43 0.0653 107.5814 98.2500
324 CA GLN 44 0.0455 101.5236 98.3800
333 CA GLU 45 0.0157 92.3804 98.5600
342 CA LYS 46 0.0154 92.2822 98.8100
351 CA GLN 47 0.0260 95.5387 98.6900
360 CA ASP 48 0.0189 93.3729 98.7500
368 CA ILE 49 0.0092 90.3991 98.8800
376 CA LEU 50 0.0095 90.4699 98.8800
384 CA LYS 51 0.0203 93.7876 98.7500
393 CA GLU 52 0.0117 91.1466 98.8100
402 CA HIS 53 0.0075 89.8588 98.8100
412 CA ASN 54 0.0100 90.6301 98.8800
420 CA ASP 55 0.0137 91.7567 98.7500
428 CA PHE 56 0.0092 90.3777 98.6200
439 CA ARG 57 0.0080 90.0121 98.6900
450 CA GLN 58 0.0122 91.2997 98.5600
459 CA LYS 59 0.0157 92.3747 98.5000
468 CA ILE 60 0.0104 90.7657 97.8800
476 CA ALA 61 0.0187 93.3090 98.1200
481 CA ARG 62 0.0266 95.7108 98.1200
492 CA GLY 63 0.0265 95.6854 97.2500
496 CA LEU 64 0.0325 97.5203 98.1200
504 CA GLU 65 0.0197 93.5987 97.8800
513 CA THR 66 0.0303 96.8692 97.5600
520 CA ARG 67 0.0204 93.8106 97.5600
531 CA GLY 68 0.0196 93.5673 95.5600
535 CA ASN 69 0.0392 99.5876 94.6200
543 CA PRO 70 0.0456 101.5572 94.8100
550 CA GLY 71 0.0294 96.5852 92.7500
554 CA PRO 72 0.0281 96.1812 95.8800
561 CA GLN 73 0.0133 91.6604 96.7500
570 CA PRO 74 0.0184 93.1999 96.4400
577 CA PRO 75 0.0203 93.7890 97.3800
584 CA ALA 76 0.0168 92.7172 97.5600
589 CA LYS 77 0.0333 97.7814 97.0600
598 CA ASN 78 0.0298 96.7046 97.2500
606 CA MET 79 0.0124 91.3808 97.8100
614 CA LYS 80 0.0169 92.7485 97.5000
623 CA ASN 81 0.0121 91.2716 98.5600
631 CA LEU 82 0.0094 90.4478 98.7500
639 CA VAL 83 0.0134 91.6930 98.6900
646 CA TRP 84 0.0109 90.9097 98.7500
660 CA ASN 85 0.0137 91.7681 98.4400
668 CA ASP 86 0.0173 92.8743 97.7500
676 CA GLU 87 0.0098 90.5750 96.6200
685 CA LEU 88 0.0071 89.7595 98.5000
693 CA ALA 89 0.0085 90.1876 98.5000
698 CA TYR 90 0.0070 89.7175 97.6200
710 CA VAL 91 0.0051 89.1245 97.8100
717 CA ALA 92 0.0051 89.1407 98.6200
722 CA GLN 93 0.0070 89.7184 98.6900
731 CA VAL 94 0.0069 89.6791 98.0600
738 CA TRP 95 0.0063 89.4908 98.4400
752 CA ALA 96 0.0060 89.4203 98.5600
757 CA ASN 97 0.0091 90.3622 98.5000
765 CA GLN 98 0.0114 91.0559 98.0000
774 CA CYS 99 0.0102 90.6851 97.9400
780 CA GLN 100 0.0141 91.8814 95.7500
789 CA TYR 101 0.0160 92.4861 96.6200
801 CA GLY 102 0.0171 92.8194 96.4400
805 CA HIS 103 0.0107 90.8496 96.8100
815 CA ASP 104 0.0108 90.8878 96.2500
823 CA THR 105 0.0248 95.1775 95.4400
830 CA CYS 106 0.0150 92.1722 97.0000
836 CA ARG 107 0.0080 90.0336 96.8100
847 CA ASP 108 0.0102 90.6884 97.0600
855 CA VAL 109 0.0153 92.2657 94.9400
862 CA ALA 110 0.0475 102.1383 92.3100
867 CA LYS 111 0.0409 100.0974 92.5600
876 CA TYR 112 0.0255 95.3845 95.4400
888 CA GLN 113 0.0153 92.2515 96.8100
897 CA VAL 114 0.0093 90.4109 98.0600
904 CA GLY 115 0.0073 89.8010 97.9400
908 CA GLN 116 0.0065 89.5505 98.4400
917 CA ASN 117 0.0062 89.4746 98.6900
925 CA VAL 118 0.0067 89.6178 98.5600
932 CA ALA 119 0.0099 90.6123 98.4400
937 CA LEU 120 0.0098 90.5698 98.3100
945 CA THR 121 0.0166 92.6565 98.1900
952 CA GLY 122 0.0215 94.1461 97.4400
956 CA SER 123 0.0453 101.4359 97.0600
962 CA THR 124 0.0678 108.3363 96.0000
969 CA ALA 125 0.0940 116.3847 95.8100
974 CA ALA 126 0.0843 113.3990 95.0000
979 CA LYS 127 0.0402 99.8901 96.1900
988 CA TYR 128 0.0228 94.5590 97.8100
1000 CA ASP 129 0.0179 93.0626 98.0000
1008 CA ASP 130 0.0174 92.8930 97.4400
1016 CA PRO 131 0.0118 91.1752 98.2500
1023 CA VAL 132 0.0123 91.3369 98.6200
1030 CA LYS 133 0.0179 93.0663 98.5600
1039 CA LEU 134 0.0106 90.8329 98.6200
1047 CA VAL 135 0.0091 90.3506 98.7500
1054 CA LYS 136 0.0130 91.5409 98.6200
1063 CA MET 137 0.0102 90.6982 98.3800
1071 CA TRP 138 0.0082 90.0765 98.5600
1085 CA GLU 139 0.0092 90.3787 98.4400
1094 CA ASP 140 0.0130 91.5483 98.2500
1102 CA GLU 141 0.0115 91.0898 98.1900
1111 CA VAL 142 0.0097 90.5580 97.6900
1118 CA LYS 143 0.0231 94.6419 97.0600
1127 CA ASP 144 0.0237 94.8275 96.1200
1135 CA TYR 145 0.0158 92.4163 95.6900
1147 CA ASN 146 0.0211 94.0337 94.3100
1155 CA PRO 147 0.0262 95.6135 92.4400
1162 CA LYS 148 0.0496 102.7743 89.8100
1171 CA LYS 149 0.0483 102.3659 88.8800
1180 CA LYS 150 0.0536 103.9834 86.6200
1189 CA PHE 151 0.0243 95.0258 88.1900
1200 CA SER 152 0.0365 98.7598 84.6900
1206 CA GLY 153 0.0467 101.8646 84.0000
1210 CA ASN 154 0.0705 109.1688 82.5600
1218 CA ASP 155 0.0338 97.9331 86.5600
1226 CA PHE 156 0.0255 95.3812 88.2500
1237 CA LEU 157 0.0543 104.2111 89.9400
1245 CA LYS 158 0.0370 98.9108 92.5600
1254 CA THR 159 0.0131 91.5808 96.3100
1261 CA GLY 160 0.0117 91.1453 96.5600
1265 CA HIS 161 0.0070 89.7146 98.2500
1275 CA TYR 162 0.0051 89.1280 98.1900
1287 CA THR 163 0.0054 89.2242 97.5000
1294 CA GLN 164 0.0052 89.1799 98.1900
1303 CA MET 165 0.0044 88.9221 98.2500
1311 CA VAL 166 0.0039 88.7682 97.7500
1318 CA TRP 167 0.0064 89.5441 98.1200
1332 CA ALA 168 0.0082 90.0871 97.6200
1337 CA ASN 169 0.0105 90.7926 97.3800
1345 CA THR 170 0.0079 90.0050 98.5000
1352 CA LYS 171 0.0118 91.2022 98.5600
1361 CA GLU 172 0.0100 90.6231 98.6900
1370 CA VAL 173 0.0070 89.7031 98.8800
1377 CA GLY 174 0.0068 89.6450 98.8100
1381 CA CYS 175 0.0056 89.2837 98.8800
1387 CA GLY 176 0.0054 89.2272 98.6900
1391 CA SER 177 0.0062 89.4670 98.6900
1397 CA ILE 178 0.0057 89.3040 98.6200
1405 CA LYS 179 0.0090 90.3198 98.6200
1414 CA TYR 180 0.0111 90.9879 98.5000
1426 CA ILE 181 0.0223 94.4181 98.2500
1434 CA GLN 182 0.0324 97.4951 96.5000
1443 CA GLU 183 0.0950 116.6610 93.3800
1452 CA LYS 184 0.0770 111.1636 94.0600
1461 CA TRP 185 0.0368 98.8567 97.5000
1475 CA HIS 186 0.0221 94.3516 98.1900
1485 CA LYS 187 0.0104 90.7708 98.4400
1494 CA HIS 188 0.0077 89.9409 98.5600
1504 CA TYR 189 0.0058 89.3623 98.6900
1516 CA LEU 190 0.0055 89.2525 98.8100
1524 CA VAL 191 0.0048 89.0483 98.8800
1531 CA CYS 192 0.0052 89.1785 98.8800
1537 CA ASN 193 0.0050 89.1100 98.8100
1545 CA TYR 194 0.0056 89.2877 98.7500
1557 CA GLY 195 0.0086 90.2203 97.8100
1561 CA PRO 196 0.0100 90.6398 97.5000
1568 CA SER 197 0.0092 90.3962 96.9400
1574 CA GLY 198 0.0097 90.5427 95.8100
1578 CA ASN 199 0.0132 91.6314 94.9400
1586 CA PHE 200 0.0206 93.8874 91.4400
1597 CA LYS 201 0.0448 101.2962 87.2500
1606 CA ASN 202 0.0505 103.0450 82.2500
1614 CA GLU 203 0.0261 95.5748 87.8100
1623 CA GLU 204 0.0234 94.7315 88.9400
1632 CA LEU 205 0.0084 90.1427 92.6200
1640 CA TYR 206 0.0103 90.7260 96.2500
1652 CA GLN 207 0.0296 96.6274 94.8800
1661 CA THR 208 0.0301 96.8066 93.8100
1668 CA LYS 209 0.0700 109.0183 88.7500

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.