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

* 1AOL *

B-factor analysis for ID 240228060428927675

Overall B-factor prediction

Correlation= 0.286 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 0.0878 20.3596 18.4000
11 CA VAL 2 0.0530 16.7874 14.7400
18 CA TYR 3 0.0298 14.4173 14.2100
30 CA ASN 4 0.0304 14.4783 13.7200
38 CA ILE 5 0.0151 12.9100 12.7700
46 CA THR 6 0.0158 12.9780 13.4600
53 CA TRP 7 0.0092 12.3037 11.9600
67 CA GLU 8 0.0105 12.4382 10.3500
76 CA VAL 9 0.0090 12.2851 12.2200
83 CA THR 10 0.0093 12.3189 8.9100
90 CA ASN 11 0.0100 12.3906 9.1900
98 CA GLY 12 0.0134 12.7364 8.8300
102 CA ASP 13 0.0274 14.1660 9.9700
110 CA ARG 14 0.0201 13.4231 11.8900
121 CA GLU 15 0.0193 13.3348 11.8200
130 CA THR 16 0.0155 12.9545 13.4900
137 CA VAL 17 0.0127 12.6593 12.8800
144 CA TRP 18 0.0124 12.6332 11.3500
158 CA ALA 19 0.0154 12.9424 12.8600
163 CA ILE 20 0.0166 13.0638 14.1400
171 CA SER 21 0.0282 14.2474 13.2000
177 CA GLY 22 0.0310 14.5422 13.7500
181 CA ASN 23 0.0375 15.2063 12.8400
189 CA HIS 24 0.0315 14.5855 14.1100
199 CA PRO 25 0.0323 14.6731 14.2700
206 CA LEU 26 0.0245 13.8725 16.6000
214 CA TRP 27 0.0200 13.4118 16.6800
228 CA THR 28 0.0260 14.0253 15.6500
235 CA TRP 29 0.0156 12.9623 14.0800
249 CA TRP 30 0.0157 12.9749 12.6500
263 CA PRO 31 0.0152 12.9166 13.3400
270 CA VAL 32 0.0154 12.9428 13.9700
277 CA LEU 33 0.0112 12.5138 12.1500
285 CA THR 34 0.0137 12.7693 12.7200
292 CA PRO 35 0.0106 12.4472 13.1600
299 CA ASP 36 0.0088 12.2594 11.9200
307 CA LEU 37 0.0069 12.0747 9.9800
315 CA CYS 38 0.0066 12.0435 9.6600
321 CA MET 39 0.0081 12.1921 8.6700
329 CA LEU 40 0.0075 12.1343 9.3400
337 CA ALA 41 0.0096 12.3459 9.9100
342 CA LEU 42 0.0111 12.4987 8.9600
350 CA SER 43 0.0179 13.1992 12.2100
356 CA GLY 44 0.0173 13.1388 12.2500
360 CA PRO 45 0.0206 13.4721 13.1600
367 CA PRO 46 0.0287 14.3057 11.5800
374 CA HIS 47 0.0131 12.7020 12.9200
384 CA TRP 48 0.0093 12.3144 10.7800
398 CA GLY 49 0.0139 12.7880 12.3800
402 CA LEU 50 0.0128 12.6788 12.3500
410 CA GLU 51 0.0308 14.5177 14.7100
419 CA TYR 52 0.0597 17.4767 15.1300
431 CA GLN 53 0.0231 13.7295 13.9000
440 CA ALA 54 0.0264 14.0662 14.6200
445 CA PRO 55 0.0221 13.6296 13.0700
452 CA TYR 56 0.0348 14.9314 14.6300
464 CA SER 57 0.0314 14.5809 15.8700
470 CA SER 58 0.0435 15.8173 13.9000
476 CA PRO 59 0.0170 13.1013 10.1000
483 CA PRO 60 0.0175 13.1510 9.9500
490 CA GLY 61 0.0238 13.8006 11.5400
494 CA PRO 62 0.0315 14.5880 12.7000
501 CA PRO 63 0.0380 15.2531 13.9400
508 CA CYS 64 0.0274 14.1714 16.3100
514 CA CYS 65 0.0487 16.3469 16.6500
520 CA SER 66 0.0462 16.0979 14.3600
526 CA GLY 67 0.0537 16.8586 15.7600
530 CA SER 68 0.1045 22.0648 21.3700
536 CA SER 69 0.2273 34.6366 21.7600
542 CA GLY 70 0.1913 30.9557 21.5800
546 CA SER 71 0.1204 23.6924 21.5900
552 CA SER 72 0.1599 27.7342 21.5300
558 CA ALA 73 0.2912 41.1851 20.4800
563 CA GLY 74 0.1931 31.1375 20.9100
567 CA CYS 75 0.0585 17.3496 19.6700
573 CA SER 76 0.0429 15.7576 16.5400
579 CA ARG 77 0.0574 17.2437 15.7700
590 CA ASP 78 0.0365 15.0974 14.5300
598 CA CYS 79 0.0213 13.5418 14.1300
604 CA ASP 80 0.0391 15.3721 16.0500
612 CA GLU 81 0.0555 17.0447 17.4400
621 CA PRO 82 0.0807 19.6241 17.8200
628 CA LEU 83 0.0318 14.6163 18.0800
636 CA THR 84 0.0689 18.4166 20.6600
643 CA SER 85 0.0789 19.4406 20.5400
649 CA LEU 86 0.0321 14.6474 14.2400
657 CA THR 87 0.0177 13.1792 12.5500
664 CA PRO 88 0.0101 12.3931 12.6200
671 CA ARG 89 0.0085 12.2344 12.3700
682 CA CYS 90 0.0079 12.1678 12.1400
688 CA ASN 91 0.0124 12.6371 11.5200
696 CA THR 92 0.0113 12.5221 9.6200
703 CA ALA 93 0.0098 12.3654 10.3600
708 CA TRP 94 0.0105 12.4374 11.0400
722 CA ASN 95 0.0082 12.1982 11.6200
730 CA ARG 96 0.0071 12.0850 10.4600
741 CA LEU 97 0.0086 12.2481 8.7000
749 CA LYS 98 0.0096 12.3466 10.7000
758 CA LEU 99 0.0072 12.0966 11.5200
766 CA ASP 100 0.0085 12.2284 11.1900
774 CA GLN 101 0.0133 12.7261 12.2800
783 CA VAL 102 0.0107 12.4623 12.2400
790 CA THR 103 0.0097 12.3521 10.9400
797 CA HIS 104 0.0128 12.6767 10.2800
807 CA LYS 105 0.0256 13.9896 12.2400
816 CA SER 106 0.0341 14.8548 14.9400
822 CA SER 107 0.0301 14.4481 14.4000
828 CA GLU 108 0.0150 12.9006 12.8700
837 CA GLY 109 0.0083 12.2146 10.2200
841 CA PHE 110 0.0069 12.0678 9.5500
852 CA TYR 111 0.0060 11.9782 10.0300
864 CA VAL 112 0.0058 11.9578 10.3900
871 CA CYS 113 0.0063 12.0101 11.8600
877 CA PRO 114 0.0073 12.1135 13.2200
884 CA GLY 115 0.0102 12.4109 14.0500
888 CA SER 116 0.0170 13.1022 16.4600
894 CA HIS 117 0.0188 13.2916 16.6500
904 CA ARG 118 0.0161 13.0078 22.3100
915 CA PRO 119 0.0617 17.6862 31.7600
922 CA ARG 120 0.0845 20.0156 43.1800
933 CA GLU 121 0.0356 15.0075 49.0200
942 CA ALA 122 0.0419 15.6586 48.8600
947 CA LYS 123 0.0726 18.7989 48.4400
956 CA SER 124 0.0541 16.9056 40.3600
962 CA CYS 125 0.0204 13.4516 26.6000
968 CA GLY 126 0.0258 14.0090 20.5400
972 CA GLY 127 0.0351 14.9592 19.1300
976 CA PRO 128 0.0303 14.4609 17.6000
983 CA ASP 129 0.0555 17.0421 16.2600
991 CA SER 130 0.0238 13.7991 13.1400
997 CA PHE 131 0.0092 12.3018 13.7700
1008 CA TYR 132 0.0092 12.3078 14.8100
1020 CA CYS 133 0.0104 12.4242 16.0100
1026 CA ALA 134 0.0202 13.4303 15.7900
1031 CA SER 135 0.0278 14.2125 15.9300
1037 CA TRP 136 0.0237 13.7923 13.1400
1051 CA GLY 137 0.0258 14.0043 13.2300
1055 CA CYS 138 0.0135 12.7461 13.7200
1061 CA GLU 139 0.0088 12.2627 13.7100
1070 CA THR 140 0.0095 12.3315 16.0000
1077 CA THR 141 0.0082 12.1991 15.3300
1084 CA GLY 142 0.0088 12.2611 17.1300
1088 CA ARG 143 0.0122 12.6074 15.6500
1099 CA VAL 144 0.0118 12.5678 14.4900
1106 CA TYR 145 0.0278 14.2099 12.8900
1118 CA TRP 146 0.0297 14.3998 12.3100
1132 CA LYS 147 0.0257 13.9986 14.6300
1141 CA PRO 148 0.0211 13.5234 16.3200
1148 CA SER 149 0.0443 15.9048 18.5100
1154 CA SER 150 0.0256 13.9808 17.1000
1160 CA SER 151 0.0538 16.8676 15.5500
1166 CA TRP 152 0.0276 14.1915 15.7600
1180 CA ASP 153 0.0105 12.4361 15.0200
1188 CA TYR 154 0.0099 12.3718 12.4200
1200 CA ILE 155 0.0084 12.2199 11.4000
1208 CA THR 156 0.0102 12.4041 15.0300
1215 CA VAL 157 0.0088 12.2611 14.9000
1222 CA ASP 158 0.0101 12.3924 14.6200
1230 CA ASN 159 0.0121 12.6058 12.6400
1238 CA ASN 160 0.0172 13.1206 14.5300
1246 CA LEU 161 0.0255 13.9792 16.5200
1254 CA THR 162 0.0302 14.4537 17.0800
1261 CA THR 163 0.0251 13.9314 17.9100
1268 CA SER 164 0.0470 16.1803 18.5000
1274 CA GLN 165 0.0404 15.5028 15.5600
1283 CA ALA 166 0.0214 13.5516 12.5900
1288 CA VAL 167 0.0254 13.9679 14.4800
1295 CA GLN 168 0.0299 14.4236 15.6500
1304 CA VAL 169 0.0223 13.6419 14.0500
1311 CA CYS 170 0.0132 12.7128 10.9700
1317 CA LYS 171 0.0193 13.3395 12.5100
1326 CA ASP 172 0.0288 14.3124 12.4100
1334 CA ASN 173 0.0169 13.0935 11.9900
1342 CA LYS 174 0.0233 13.7448 12.3500
1351 CA TRP 175 0.0110 12.4895 11.6000
1365 CA CYS 176 0.0111 12.4978 10.3600
1371 CA ASN 177 0.0074 12.1209 12.3500
1379 CA PRO 178 0.0105 12.4376 12.9300
1386 CA LEU 179 0.0093 12.3107 11.1000
1394 CA ALA 180 0.0107 12.4630 10.0100
1399 CA ILE 181 0.0106 12.4455 11.1200
1407 CA GLN 182 0.0133 12.7206 13.9500
1416 CA PHE 183 0.0115 12.5435 13.3300
1427 CA THR 184 0.0155 12.9508 13.3900
1434 CA ASN 185 0.0494 16.4243 17.1600
1442 CA ALA 186 0.0307 14.5096 15.3000
1447 CA GLY 187 0.0149 12.8885 14.2800
1451 CA LYS 188 0.0169 13.0928 14.1500
1460 CA GLN 189 0.0364 15.0937 15.9800
1469 CA VAL 190 0.0218 13.5913 18.8500
1476 CA THR 191 0.0265 14.0735 22.9000
1483 CA SER 192 0.0213 13.5477 18.8500
1489 CA TRP 193 0.0105 12.4428 17.3400
1503 CA THR 194 0.0157 12.9722 16.5600
1510 CA THR 195 0.0288 14.3127 15.9700
1517 CA GLY 196 0.0109 12.4778 13.4300
1521 CA HIS 197 0.0085 12.2293 12.6300
1531 CA TYR 198 0.0084 12.2273 10.3000
1543 CA TRP 199 0.0056 11.9369 9.9700
1557 CA GLY 200 0.0062 11.9985 8.2300
1561 CA LEU 201 0.0058 11.9544 10.5400
1569 CA ARG 202 0.0065 12.0254 12.8900
1580 CA LEU 203 0.0077 12.1551 13.9800
1588 CA TYR 204 0.0098 12.3677 13.1800
1600 CA VAL 205 0.0187 13.2763 14.4200
1607 CA SER 206 0.0558 17.0805 18.2800
1613 CA GLY 207 0.0947 21.0588 20.2800
1617 CA ARG 208 0.0577 17.2748 20.5500
1628 CA ASP 209 0.0118 12.5694 14.5500
1636 CA PRO 210 0.0118 12.5743 11.3600
1643 CA GLY 211 0.0079 12.1736 9.4400
1647 CA LEU 212 0.0072 12.0999 10.9300
1655 CA THR 213 0.0069 12.0701 11.7700
1662 CA PHE 214 0.0069 12.0713 13.5000
1673 CA GLY 215 0.0072 12.1052 12.2600
1677 CA ILE 216 0.0067 12.0499 10.3600
1685 CA ARG 217 0.0083 12.2168 11.1800
1696 CA LEU 218 0.0087 12.2531 13.6700
1704 CA ARG 219 0.0145 12.8446 14.8600
1715 CA TYR 220 0.0197 13.3795 14.3900
1727 CA GLN 221 0.0474 16.2151 15.4500
1736 CA ASN 222 0.0602 17.5254 14.4400
1744 CA LEU 223 0.0837 19.9345 15.0200
1752 CA GLY 224 0.1760 29.3911 12.3900
1756 CA PRO 225 0.2855 40.6038 14.0100
1763 CA ARG 226 0.1898 30.8043 14.7300
1774 CA VAL 227 0.2388 35.8170 16.9100
1781 CA PRO 228 0.5728 70.0224 18.1300

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.