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

* 1QNX_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000 *

B-factor analysis for ID 240220091312161517

Overall B-factor prediction

Correlation= -0.589 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 0.1468 143.4474 47.8800
7 CA GLU 2 0.1118 129.6704 42.5900
16 CA ALA 3 0.0793 116.9010 45.7200
21 CA GLU 4 0.0437 102.8679 56.7800
30 CA PHE 5 0.0267 96.1585 55.9700
41 CA ASN 6 0.0473 104.2755 60.7800
49 CA ASN 7 0.0296 97.3077 86.7500
57 CA TYR 8 0.0180 92.7408 92.6200
69 CA CYS 9 0.0357 99.7011 93.5000
75 CA LYS 10 0.0552 107.4103 93.1900
84 CA ILE 11 0.0284 96.8285 93.0600
92 CA LYS 12 0.0494 105.1311 90.6900
101 CA CYS 13 0.0319 98.2292 92.9400
107 CA LEU 14 0.0625 110.2554 87.8100
115 CA LYS 15 0.0622 110.1510 84.3800
124 CA GLY 16 0.0700 113.2244 90.1200
128 CA GLY 17 0.0493 105.0871 92.0000
132 CA VAL 18 0.0304 97.6511 94.6900
139 CA HIS 19 0.0122 90.4748 96.7500
149 CA THR 20 0.0095 89.3980 96.4400
156 CA ALA 21 0.0110 89.9839 95.5600
161 CA CYS 22 0.0161 92.0212 95.3800
167 CA LYS 23 0.0228 94.6313 95.1900
176 CA TYR 24 0.0184 92.8920 94.3800
188 CA GLY 25 0.0201 93.5957 82.3800
192 CA SER 26 0.0211 93.9875 89.3100
198 CA LEU 27 0.0206 93.7587 93.8800
206 CA LYS 28 0.0322 98.3527 95.5600
215 CA PRO 29 0.0183 92.8753 97.6200
222 CA ASN 30 0.0215 94.1308 97.3800
230 CA CYS 31 0.0253 95.6319 97.5600
236 CA GLY 32 0.0828 118.2604 96.0600
240 CA ASN 33 0.0856 119.3718 96.3800
248 CA LYS 34 0.0395 101.2266 98.0600
257 CA VAL 35 0.0327 98.5351 98.0600
264 CA VAL 36 0.0214 94.0879 98.5000
271 CA VAL 37 0.0241 95.1449 98.1900
278 CA SER 38 0.0222 94.4013 98.2500
284 CA TYR 39 0.0116 90.2383 98.1200
296 CA GLY 40 0.0176 92.5842 98.3100
300 CA LEU 41 0.0201 93.5872 98.6200
308 CA THR 42 0.0386 100.8478 98.5000
315 CA LYS 43 0.0636 110.7133 98.5000
324 CA GLN 44 0.0454 103.5316 98.6200
333 CA GLU 45 0.0160 91.9833 98.7500
342 CA LYS 46 0.0160 91.9483 98.8800
351 CA GLN 47 0.0265 96.1079 98.8100
360 CA ASP 48 0.0195 93.3395 98.8800
368 CA ILE 49 0.0096 89.4377 98.9400
376 CA LEU 50 0.0098 89.5156 98.8800
384 CA LYS 51 0.0207 93.8302 98.8100
393 CA GLU 52 0.0122 90.4848 98.8800
402 CA HIS 53 0.0076 88.6535 98.8800
412 CA ASN 54 0.0102 89.6907 98.9400
420 CA ASP 55 0.0143 91.3055 98.8800
428 CA PHE 56 0.0093 89.3422 98.8100
439 CA ARG 57 0.0083 88.9532 98.8100
450 CA GLN 58 0.0127 90.6521 98.7500
459 CA LYS 59 0.0162 92.0582 98.6900
468 CA ILE 60 0.0107 89.8797 98.3800
476 CA ALA 61 0.0192 93.2079 98.5000
481 CA ARG 62 0.0285 96.8758 98.4400
492 CA GLY 63 0.0280 96.6883 97.9400
496 CA LEU 64 0.0345 99.2430 98.5600
504 CA GLU 65 0.0202 93.6228 98.3100
513 CA THR 66 0.0314 98.0203 97.8800
520 CA ARG 67 0.0211 93.9546 98.1200
531 CA GLY 68 0.0197 93.4301 96.5000
535 CA ASN 69 0.0410 101.8032 94.8100
543 CA PRO 70 0.0439 102.9492 94.2500
550 CA GLY 71 0.0284 96.8526 92.8100
554 CA PRO 72 0.0282 96.7858 96.5600
561 CA GLN 73 0.0135 90.9664 97.5000
570 CA PRO 74 0.0185 92.9643 97.3100
577 CA PRO 75 0.0201 93.5682 98.1200
584 CA ALA 76 0.0168 92.2938 98.1900
589 CA LYS 77 0.0341 99.1025 98.0600
598 CA ASN 78 0.0304 97.6490 98.2500
606 CA MET 79 0.0136 91.0031 98.4400
614 CA LYS 80 0.0195 93.3404 98.1200
623 CA ASN 81 0.0131 90.8319 98.7500
631 CA LEU 82 0.0097 89.4947 98.8800
639 CA VAL 83 0.0136 91.0197 98.8100
646 CA TRP 84 0.0109 89.9449 98.8800
660 CA ASN 85 0.0133 90.8982 98.6200
668 CA ASP 86 0.0173 92.4750 98.0000
676 CA GLU 87 0.0098 89.5379 96.8100
685 CA LEU 88 0.0074 88.5897 98.5600
693 CA ALA 89 0.0088 89.1458 98.6200
698 CA TYR 90 0.0071 88.4662 97.9400
710 CA VAL 91 0.0049 87.6131 97.7500
717 CA ALA 92 0.0051 87.6840 98.6200
722 CA GLN 93 0.0071 88.4663 98.7500
731 CA VAL 94 0.0069 88.3800 98.1200
738 CA TRP 95 0.0065 88.2403 98.5000
752 CA ALA 96 0.0062 88.1164 98.5600
757 CA ASN 97 0.0091 89.2429 98.6200
765 CA GLN 98 0.0114 90.1444 98.1900
774 CA CYS 99 0.0107 89.8995 98.0000
780 CA GLN 100 0.0148 91.5100 96.4400
789 CA TYR 101 0.0171 92.3913 97.2500
801 CA GLY 102 0.0183 92.8572 97.0600
805 CA HIS 103 0.0118 90.2988 97.1900
815 CA ASP 104 0.0116 90.2473 96.1900
823 CA THR 105 0.0267 96.1702 95.3100
830 CA CYS 106 0.0157 91.8343 96.6900
836 CA ARG 107 0.0081 88.8545 96.4400
847 CA ASP 108 0.0103 89.7271 96.5600
855 CA VAL 109 0.0149 91.5245 94.2500
862 CA ALA 110 0.0449 103.3559 92.3100
867 CA LYS 111 0.0360 99.8547 91.9400
876 CA TYR 112 0.0243 95.2157 95.2500
888 CA GLN 113 0.0160 91.9489 96.6200
897 CA VAL 114 0.0096 89.4464 97.8800
904 CA GLY 115 0.0075 88.6220 97.9400
908 CA GLN 116 0.0067 88.3179 98.5000
917 CA ASN 117 0.0065 88.2358 98.8800
925 CA VAL 118 0.0071 88.4669 98.6900
932 CA ALA 119 0.0104 89.7660 98.5000
937 CA LEU 120 0.0103 89.7309 98.5600
945 CA THR 121 0.0175 92.5437 98.3800
952 CA GLY 122 0.0220 94.3154 97.9400
956 CA SER 123 0.0458 103.6822 97.9400
962 CA THR 124 0.0673 112.1535 97.3100
969 CA ALA 125 0.0940 122.6644 96.8100
974 CA ALA 126 0.0828 118.2539 95.0000
979 CA LYS 127 0.0416 102.0418 96.8800
988 CA TYR 128 0.0235 94.9022 98.1900
1000 CA ASP 129 0.0182 92.8367 98.4400
1008 CA ASP 130 0.0183 92.8848 97.8100
1016 CA PRO 131 0.0124 90.5574 98.5600
1023 CA VAL 132 0.0129 90.7558 98.6900
1030 CA LYS 133 0.0184 92.9052 98.6900
1039 CA LEU 134 0.0112 90.0711 98.7500
1047 CA VAL 135 0.0095 89.4217 98.8100
1054 CA LYS 136 0.0137 91.0455 98.6900
1063 CA MET 137 0.0109 89.9498 98.5000
1071 CA TRP 138 0.0086 89.0559 98.6900
1085 CA GLU 139 0.0094 89.3632 98.6200
1094 CA ASP 140 0.0137 91.0791 98.4400
1102 CA GLU 141 0.0117 90.2847 98.4400
1111 CA VAL 142 0.0100 89.5998 98.1200
1118 CA LYS 143 0.0236 94.9770 97.5600
1127 CA ASP 144 0.0239 95.0645 96.5000
1135 CA TYR 145 0.0151 91.6159 96.1200
1147 CA ASN 146 0.0202 93.6361 94.3800
1155 CA PRO 147 0.0258 95.8313 92.7500
1162 CA LYS 148 0.0485 104.7523 90.6900
1171 CA LYS 149 0.0425 102.4077 87.5000
1180 CA LYS 150 0.0411 101.8298 84.7500
1189 CA PHE 151 0.0210 93.9517 86.2500
1200 CA SER 152 0.0333 98.7761 85.4400
1206 CA GLY 153 0.0640 110.8757 83.3100
1210 CA ASN 154 0.0684 112.6011 83.5600
1218 CA ASP 155 0.0229 94.7001 82.4400
1226 CA PHE 156 0.0213 94.0358 86.5000
1237 CA LEU 157 0.0471 104.2188 87.1200
1245 CA LYS 158 0.0355 99.6421 90.8100
1254 CA THR 159 0.0124 90.5434 96.6200
1261 CA GLY 160 0.0114 90.1536 97.2500
1265 CA HIS 161 0.0071 88.4497 98.5000
1275 CA TYR 162 0.0052 87.7033 98.5000
1287 CA THR 163 0.0053 87.7639 98.0600
1294 CA GLN 164 0.0052 87.7326 98.5600
1303 CA MET 165 0.0045 87.4423 98.6900
1311 CA VAL 166 0.0041 87.2685 98.3800
1318 CA TRP 167 0.0067 88.3231 98.4400
1332 CA ALA 168 0.0086 89.0542 98.1900
1337 CA ASN 169 0.0114 90.1602 98.1200
1345 CA THR 170 0.0084 88.9550 98.6900
1352 CA LYS 171 0.0128 90.7165 98.6900
1361 CA GLU 172 0.0104 89.7627 98.7500
1370 CA VAL 173 0.0070 88.4430 98.9400
1377 CA GLY 174 0.0068 88.3527 98.8800
1381 CA CYS 175 0.0057 87.9161 98.9400
1387 CA GLY 176 0.0055 87.8510 98.7500
1391 CA SER 177 0.0064 88.2007 98.8100
1397 CA ILE 178 0.0058 87.9613 98.7500
1405 CA LYS 179 0.0091 89.2372 98.7500
1414 CA TYR 180 0.0112 90.0839 98.6200
1426 CA ILE 181 0.0228 94.6365 98.4400
1434 CA GLN 182 0.0330 98.6432 97.5600
1443 CA GLU 183 0.0902 121.1662 95.5600
1452 CA LYS 184 0.0761 115.6268 96.0000
1461 CA TRP 185 0.0368 100.1619 98.1900
1475 CA HIS 186 0.0220 94.3243 98.5000
1485 CA LYS 187 0.0108 89.9190 98.6200
1494 CA HIS 188 0.0080 88.8268 98.7500
1504 CA TYR 189 0.0060 88.0465 98.8100
1516 CA LEU 190 0.0057 87.9080 98.8800
1524 CA VAL 191 0.0050 87.6496 98.9400
1531 CA CYS 192 0.0054 87.7969 98.9400
1537 CA ASN 193 0.0051 87.6949 98.8800
1545 CA TYR 194 0.0058 87.9612 98.8100
1557 CA GLY 195 0.0089 89.1854 98.0600
1561 CA PRO 196 0.0103 89.7329 97.9400
1568 CA SER 197 0.0097 89.4911 97.3800
1574 CA GLY 198 0.0099 89.5486 96.1900
1578 CA ASN 199 0.0135 90.9901 95.4400
1586 CA PHE 200 0.0218 94.2562 91.8100
1597 CA LYS 201 0.0468 104.0879 88.3100
1606 CA ASN 202 0.0486 104.7821 85.6200
1614 CA GLU 203 0.0265 96.1090 89.8800
1623 CA GLU 204 0.0243 95.2162 91.5600
1632 CA LEU 205 0.0085 88.9980 95.1200
1640 CA TYR 206 0.0105 89.8141 97.1900
1652 CA GLN 207 0.0306 97.7030 96.8100
1661 CA THR 208 0.0299 97.4232 95.6200
1668 CA LYS 209 0.0667 111.9281 91.1900

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.