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

* test_NM_2xu4 *

B-factor analysis for ID 2402141053552747942

Overall B-factor prediction

Correlation= 0.771 for 226 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 0.0174 23.9641 21.9400
8 CA PRO 2 0.0132 20.9120 18.0900
22 CA ARG 3 0.0137 21.2721 16.3600
46 CA SER 4 0.0096 18.2415 15.6600
56 CA VAL 5 0.0038 13.9785 14.4200
66 CA ASP 6 0.0037 13.9637 13.2400
78 CA TRP 7 0.0025 13.0764 12.7600
102 CA ARG 8 0.0034 13.7010 14.1000
126 CA GLU 9 0.0124 20.3369 16.0200
141 CA LYS 10 0.0111 19.3818 16.7700
160 CA GLY 11 0.0057 15.3898 15.2200
167 CA TYR 12 0.0037 13.9022 12.6200
187 CA VAL 13 0.0030 13.3837 11.9700
197 CA THR 14 0.0035 13.7659 11.8100
207 CA PRO 15 0.0084 17.3426 12.9000
221 CA VAL 16 0.0041 14.1935 12.1600
231 CA LYS 17 0.0030 13.4248 11.9600
250 CA ASN 18 0.0039 14.0659 12.1700
262 CA GLN 19 0.0044 14.4315 12.8900
277 CA GLY 20 0.0077 16.8469 15.0000
284 CA GLN 21 0.0265 30.6713 18.7400
299 CA CYS 22 0.0105 18.9498 14.6500
309 CA GLY 23 0.0066 16.0750 13.6300
316 CA SER 24 0.0037 13.9072 13.0200
326 CA CYS 25 0.0030 13.4353 12.5600
336 CA TRP 26 0.0028 13.2331 12.3100
360 CA ALA 27 0.0020 12.6832 11.4200
367 CA PHE 28 0.0021 12.7192 11.6100
387 CA SER 29 0.0020 12.6470 11.7200
397 CA ALA 30 0.0017 12.4442 11.8700
404 CA THR 31 0.0017 12.4302 11.8500
414 CA GLY 32 0.0017 12.4545 12.9200
421 CA ALA 33 0.0019 12.5847 12.3800
428 CA LEU 34 0.0017 12.4656 13.2600
441 CA GLU 35 0.0020 12.7045 12.8400
456 CA GLY 36 0.0022 12.8627 12.5900
463 CA GLN 37 0.0026 13.1179 13.9400
478 CA MET 38 0.0030 13.4454 13.5800
492 CA PHE 39 0.0042 14.2863 15.5300
512 CA ARG 40 0.0041 14.2349 16.5900
536 CA ARG 40 0.0041 14.2352 16.2300
560 CA LYS 41 0.0073 16.5608 16.6800
579 CA THR 42 0.0121 20.0577 16.9700
589 CA GLY 43 0.0141 21.5833 18.7000
596 CA ARG 44 0.0137 21.3000 19.3400
620 CA LEU 45 0.0045 14.5103 14.9800
633 CA ILE 46 0.0052 15.0024 14.5900
646 CA SER 47 0.0034 13.7189 13.0200
656 CA LEU 48 0.0025 13.0177 13.3100
669 CA SER 49 0.0021 12.7572 12.2700
679 CA GLU 50 0.0019 12.6333 12.5900
694 CA GLN 51 0.0029 13.3215 13.5900
709 CA ASN 52 0.0024 12.9832 13.9500
721 CA LEU 53 0.0020 12.6494 14.2300
734 CA VAL 54 0.0027 13.1691 14.9200
744 CA ASP 55 0.0042 14.2811 16.0600
756 CA CYS 56 0.0043 14.3687 16.3500
766 CA SER 57 0.0040 14.1604 15.9400
776 CA GLY 58 0.0073 16.5920 18.1800
783 CA PRO 59 0.0143 21.6995 19.7900
797 CA GLN 60 0.0076 16.7986 16.4200
812 CA GLY 61 0.0081 17.1502 18.4300
819 CA ASN 62 0.0055 15.2471 15.1200
831 CA GLU 63 0.0101 18.6582 14.8000
846 CA GLY 64 0.0069 16.3060 15.1700
853 CA CYS 65 0.0081 17.1723 13.9300
863 CA ASN 66 0.0158 22.8324 13.9100
875 CA GLY 67 0.0075 16.7371 14.3500
882 CA GLY 68 0.0057 15.3876 14.5300
889 CA LEU 69 0.0048 14.7293 15.4600
902 CA LEU 69 0.0048 14.7289 14.3500
915 CA MET 70 0.0029 13.3272 14.0600
929 CA ASP 71 0.0041 14.2230 15.7100
941 CA TYR 72 0.0040 14.1659 16.2400
961 CA ALA 73 0.0026 13.1285 14.1100
968 CA PHE 74 0.0024 13.0004 14.9400
988 CA GLN 75 0.0042 14.3157 15.6300
1003 CA TYR 76 0.0033 13.6700 15.6800
1023 CA VAL 77 0.0035 13.8127 15.0000
1033 CA GLN 78 0.0052 15.0558 17.4700
1048 CA ASP 79 0.0078 16.9699 17.3600
1060 CA ASN 80 0.0072 16.4772 17.7700
1072 CA GLY 81 0.0082 17.2208 17.5900
1079 CA GLY 82 0.0051 14.9279 14.6600
1086 CA LEU 83 0.0029 13.3053 13.8100
1099 CA ASP 84 0.0031 13.5052 14.2900
1111 CA SER 85 0.0038 13.9748 14.4700
1121 CA GLU 86 0.0037 13.9432 14.5300
1136 CA GLU 87 0.0137 21.2607 16.0800
1151 CA SER 88 0.0096 18.2394 16.5900
1161 CA TYR 89 0.0048 14.7332 14.9600
1181 CA PRO 90 0.0068 16.1763 15.8300
1195 CA TYR 91 0.0049 14.8443 14.4300
1215 CA GLU 92 0.0069 16.2746 17.4300
1230 CA ALA 93 0.0076 16.7678 15.7400
1237 CA THR 94 0.0099 18.5016 19.2400
1247 CA GLU 95 0.0101 18.6149 28.8400
1262 CA GLU 96 0.0102 18.7270 24.4200
1277 CA SER 97 0.0174 24.0038 25.3400
1287 CA CYS 98 0.0087 17.5654 21.0300
1297 CA LYS 99 0.0076 16.7691 22.2100
1316 CA TYR 100 0.0051 14.9266 16.7900
1336 CA ASN 101 0.0121 20.1217 17.8700
1348 CA PRO 102 0.0134 21.0144 18.7800
1362 CA LYS 103 0.0195 25.5072 20.1000
1377 CA LYS 103 0.0196 25.5639 19.7400
1396 CA TYR 104 0.0130 20.7532 17.3900
1416 CA SER 105 0.0056 15.3458 16.0200
1426 CA VAL 106 0.0058 15.4525 14.5000
1436 CA ALA 107 0.0046 14.5568 15.1100
1443 CA ASN 108 0.0045 14.5387 16.0100
1455 CA ASP 109 0.0049 14.8199 16.2000
1467 CA THR 110 0.0085 17.4409 21.5600
1477 CA GLY 111 0.0050 14.8996 21.4100
1484 CA PHE 112 0.0044 14.4423 16.0300
1504 CA VAL 113 0.0073 16.5961 16.5000
1514 CA ASP 114 0.0077 16.8765 17.8800
1526 CA ILE 115 0.0058 15.4365 17.8800
1539 CA PRO 116 0.0083 17.2980 20.9200
1553 CA LYS 117 0.0086 17.5346 20.8100
1572 CA GLN 118 0.0087 17.6273 19.8500
1587 CA GLU 119 0.0041 14.2190 16.5800
1602 CA LYS 120 0.0063 15.8206 21.1800
1621 CA ALA 121 0.0051 14.9683 20.5100
1628 CA LEU 122 0.0032 13.5358 16.5700
1641 CA MET 123 0.0037 13.9582 16.5200
1655 CA LYS 124 0.0057 15.3637 19.1600
1674 CA LYS 124 0.0056 15.3212 17.3500
1693 CA ALA 125 0.0037 13.9628 18.5700
1700 CA VAL 126 0.0026 13.1399 14.1800
1710 CA ALA 127 0.0044 14.4467 14.8200
1717 CA THR 128 0.0063 15.8420 17.5100
1727 CA VAL 129 0.0031 13.5169 16.9600
1737 CA GLY 130 0.0025 13.0622 12.8200
1744 CA PRO 131 0.0017 12.4265 12.8400
1758 CA ILE 132 0.0018 12.5138 12.2700
1771 CA SER 133 0.0018 12.5064 12.2600
1781 CA VAL 134 0.0019 12.5809 13.0300
1791 CA ALA 135 0.0032 13.5949 12.6900
1798 CA ILE 136 0.0026 13.1527 13.2000
1811 CA ASP 137 0.0045 14.4800 13.3300
1823 CA ALA 138 0.0045 14.4843 12.6600
1830 CA GLY 139 0.0080 17.0984 13.3500
1837 CA HIS 140 0.0077 16.8431 13.2800
1853 CA GLU 141 0.0153 22.4136 13.4700
1868 CA SER 142 0.0086 17.5204 13.0400
1878 CA PHE 143 0.0038 13.9841 12.4100
1898 CA LEU 144 0.0063 15.8106 14.3000
1911 CA PHE 145 0.0102 18.6731 14.9100
1931 CA TYR 146 0.0049 14.8209 14.1300
1951 CA LYS 147 0.0079 17.0069 15.0100
1970 CA GLU 148 0.0106 19.0207 16.4400
1985 CA GLY 149 0.0047 14.6866 18.4400
1992 CA ILE 150 0.0033 13.5984 15.5100
2005 CA TYR 151 0.0032 13.5488 13.7900
2025 CA PHE 152 0.0039 14.1020 14.6800
2045 CA GLU 153 0.0068 16.1693 13.6500
2060 CA PRO 154 0.0171 23.7517 17.2000
2074 CA ASP 155 0.0166 23.4231 17.0300
2086 CA CYS 156 0.0075 16.7144 15.6000
2096 CA SER 157 0.0083 17.3257 15.7900
2106 CA SER 158 0.0073 16.5607 17.5300
2116 CA SER 158 0.0072 16.5323 17.8500
2126 CA GLU 159 0.0183 24.6430 22.0100
2144 CA ASP 160 0.0165 23.3327 19.1500
2152 CA ASP 160 0.0165 23.3422 19.0500
2161 CA MET 161 0.0069 16.2592 15.0200
2175 CA ASP 162 0.0097 18.2955 13.6000
2187 CA HIS 163 0.0033 13.6379 12.6900
2203 CA GLY 164 0.0030 13.4368 11.7900
2210 CA VAL 165 0.0016 12.4023 12.2700
2220 CA LEU 166 0.0016 12.3618 11.8800
2233 CA VAL 167 0.0015 12.3072 12.1600
2243 CA VAL 168 0.0016 12.4195 12.6600
2253 CA GLY 169 0.0022 12.8544 13.3000
2260 CA TYR 170 0.0022 12.8183 13.8700
2280 CA GLY 171 0.0050 14.8979 15.6900
2287 CA PHE 172 0.0064 15.9129 18.5000
2307 CA GLU 173 0.0126 20.4874 28.8900
2322 CA SER 174 0.0358 37.4657 35.2100
2332 CA THR 175 0.0720 64.0020 56.5600
2342 CA ASN 179 0.0148 22.0410 44.6600
2354 CA ASN 180 0.0096 18.2457 29.5900
2366 CA LYS 181 0.0036 13.8829 17.4900
2385 CA TYR 182 0.0022 12.8606 14.3300
2405 CA TRP 183 0.0013 12.1924 13.4400
2429 CA LEU 184 0.0017 12.4597 13.2000
2442 CA VAL 185 0.0015 12.3271 12.1600
2452 CA LYS 186 0.0016 12.3684 10.8500
2471 CA ASN 187 0.0022 12.8051 11.3400
2483 CA SER 188 0.0024 12.9797 11.4000
2493 CA TRP 189 0.0036 13.8668 11.6000
2517 CA GLY 190 0.0048 14.7084 11.8100
2524 CA GLU 191 0.0072 16.5215 18.2900
2539 CA GLU 191 0.0072 16.5277 16.5800
2554 CA GLU 192 0.0141 21.5462 18.5600
2569 CA TRP 193 0.0042 14.3057 16.3100
2593 CA GLY 194 0.0035 13.7901 14.8900
2600 CA MET 195 0.0043 14.3547 13.1000
2614 CA MET 195 0.0043 14.3714 14.6500
2628 CA GLY 196 0.0057 15.4139 12.8200
2635 CA GLY 197 0.0030 13.4204 13.5000
2642 CA TYR 198 0.0024 12.9443 11.5400
2662 CA VAL 199 0.0020 12.6630 12.2000
2672 CA LYS 200 0.0018 12.5597 13.2600
2691 CA MET 201 0.0016 12.3525 13.3300
2705 CA MET 201 0.0016 12.3544 13.4100
2719 CA ALA 202 0.0019 12.6308 14.0900
2726 CA LYS 203 0.0025 13.0336 15.7200
2745 CA ASP 204 0.0039 14.0667 16.6900
2757 CA ARG 205 0.0074 16.6475 18.8500
2781 CA ARG 206 0.0129 20.6456 18.1000
2805 CA ASN 207 0.0039 14.0955 15.9800
2817 CA HIS 208 0.0031 13.4862 15.3500
2833 CA CYS 209 0.0033 13.6579 14.9400
2843 CA GLY 210 0.0042 14.2655 14.6800
2850 CA ILE 211 0.0022 12.8194 13.3200
2863 CA ALA 212 0.0029 13.3272 14.3900
2870 CA SER 213 0.0052 15.0611 13.9900
2880 CA ALA 214 0.0057 15.3999 14.5800
2887 CA ALA 215 0.0034 13.7091 13.5500
2894 CA SER 216 0.0029 13.3179 13.9500
2904 CA TYR 217 0.0026 13.1527 12.6500
2924 CA PRO 218 0.0026 13.0880 14.0900
2938 CA THR 219 0.0048 14.7401 17.8000
2948 CA VAL 220 0.0049 14.7841 20.9100

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.