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

* METAL BINDING PROTEIN 30-OCT-99 1D9Y *

B-factor analysis for ID 23012322094865830

Overall B-factor prediction

Correlation= 0.378 for 309 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 ASP 1 0.0306 28.4469 31.8400
10 CA ILE 2 0.0179 22.0656 27.7600
18 CA THR 3 0.0140 20.0991 17.1100
25 CA VAL 4 0.0096 17.8988 10.5000
32 CA TYR 5 0.0095 17.8207 17.3400
44 CA ASN 6 0.0096 17.9166 19.7700
52 CA GLY 7 0.0101 18.1553 13.5400
56 CA GLN 8 0.0080 17.0877 17.4700
65 CA HIS 9 0.0100 18.0725 19.7600
75 CA LYS 10 0.0177 21.9498 25.0100
84 CA GLU 11 0.0146 20.3912 26.0500
93 CA ALA 12 0.0097 17.9476 21.2400
98 CA ALA 13 0.0100 18.0919 17.2800
103 CA GLN 14 0.0162 21.2203 18.3800
112 CA ALA 15 0.0139 20.0811 16.8100
117 CA VAL 16 0.0098 17.9883 16.5800
124 CA ALA 17 0.0141 20.1735 17.7700
129 CA ASP 18 0.0268 26.5428 24.1100
137 CA ALA 19 0.0207 23.4902 19.6000
142 CA PHE 20 0.0151 20.6831 23.1900
153 CA THR 21 0.0272 26.7296 25.3500
160 CA ARG 22 0.0520 39.2474 35.3000
171 CA ALA 23 0.0399 33.1446 37.8300
176 CA THR 24 0.0385 32.4449 36.0300
183 CA GLY 25 0.0448 35.5971 24.5600
187 CA ILE 26 0.0300 28.1780 26.5300
195 CA LYS 27 0.0352 30.7905 27.7300
204 CA VAL 28 0.0215 23.8953 18.5400
211 CA LYS 29 0.0265 26.4036 18.1700
220 CA LEU 30 0.0203 23.2727 18.4300
228 CA ASN 31 0.0202 23.2156 26.0700
236 CA CYS 32 0.0213 23.7864 24.2600
242 CA ALA 33 0.0250 25.6600 17.5600
247 CA LYS 34 0.0224 24.3197 27.4300
256 CA GLY 35 0.0166 21.4139 21.8600
260 CA ASP 36 0.0197 22.9607 25.1100
268 CA GLN 37 0.0297 27.9992 16.3700
277 CA LEU 38 0.0168 21.5327 11.1900
285 CA ALA 39 0.0166 21.3942 10.7600
290 CA GLY 40 0.0265 26.4150 10.5000
294 CA GLN 41 0.0259 26.0866 21.4800
303 CA ILE 42 0.0195 22.8641 16.7600
311 CA LYS 43 0.0300 28.1567 22.5100
320 CA GLU 44 0.0512 38.8138 24.6800
329 CA GLU 45 0.0390 32.7141 19.0200
338 CA GLY 46 0.0459 36.1843 15.2500
342 CA SER 47 0.0816 54.1218 15.7700
348 CA ARG 48 0.0692 47.9109 25.3500
359 CA SER 49 0.0290 27.6745 20.3800
365 CA PRO 50 0.0266 26.4441 14.7200
372 CA ALA 51 0.0138 20.0142 18.0300
377 CA ASP 52 0.0111 18.6233 17.3500
385 CA VAL 53 0.0060 16.0595 14.9400
392 CA PHE 54 0.0053 15.7064 15.1100
403 CA TYR 55 0.0054 15.7804 21.2000
423 CA SER 56 0.0061 16.1134 12.4300
429 CA GLU 57 0.0058 15.9661 16.0500
438 CA GLN 58 0.0060 16.0788 14.2300
447 CA ILE 59 0.0071 16.6300 14.4400
455 CA PRO 60 0.0086 17.4071 16.3400
462 CA ALA 61 0.0094 17.8131 19.1400
467 CA LEU 62 0.0074 16.7963 20.9900
475 CA ALA 63 0.0130 19.6264 21.3800
480 CA THR 64 0.0156 20.9058 20.1400
487 CA LEU 65 0.0133 19.7343 20.0700
495 CA SER 66 0.0144 20.3291 16.7200
501 CA ALA 67 0.0377 32.0518 21.5300
506 CA ALA 68 0.0388 32.5845 17.1500
511 CA ASN 69 0.0283 27.3242 20.8000
519 CA LEU 70 0.0182 22.2096 18.0800
527 CA LEU 71 0.0119 19.0276 16.2000
535 CA GLU 72 0.0137 19.9612 17.4500
544 CA PRO 73 0.0175 21.8681 16.3500
551 CA LEU 74 0.0157 20.9884 22.2700
559 CA PRO 75 0.0305 28.4078 24.5900
566 CA ALA 76 0.0344 30.3753 30.5700
571 CA SER 77 0.0322 29.2840 27.2600
577 CA THR 78 0.0153 20.7700 23.5000
584 CA ILE 79 0.0146 20.4147 24.8700
592 CA ASN 80 0.0221 24.2064 32.6600
600 CA GLU 81 0.0135 19.8407 33.4900
609 CA THR 82 0.0124 19.2985 24.0400
616 CA ARG 83 0.0212 23.7551 26.7500
627 CA GLY 84 0.0306 28.4685 28.6200
631 CA LYS 85 0.1093 68.1034 31.0400
640 CA GLY 86 0.0439 35.1471 23.3700
644 CA VAL 87 0.0162 21.2035 21.4300
651 CA PRO 88 0.0150 20.6121 15.5300
658 CA VAL 89 0.0216 23.9574 19.3600
665 CA ALA 90 0.0216 23.9556 19.1000
670 CA ALA 91 0.0626 44.5574 16.2400
675 CA LYS 92 0.0319 29.1439 22.9900
684 CA LYS 93 0.0180 22.1345 15.8700
693 CA ASP 94 0.0125 19.3771 17.4700
701 CA TRP 95 0.0075 16.8461 17.4100
715 CA VAL 96 0.0068 16.4666 12.0500
722 CA ALA 97 0.0056 15.8903 11.6600
727 CA LEU 98 0.0051 15.6441 14.4800
735 CA SER 99 0.0054 15.8008 14.2700
741 CA GLY 100 0.0061 16.1254 3.4700
745 CA ARG 101 0.0056 15.8803 9.9000
756 CA SER 102 0.0057 15.9317 9.4900
762 CA ARG 103 0.0045 15.3156 10.7100
773 CA VAL 104 0.0042 15.1802 14.8100
780 CA VAL 105 0.0051 15.6219 16.9800
787 CA VAL 106 0.0055 15.8480 25.6000
794 CA TYR 107 0.0096 17.8958 28.3100
806 CA ASP 108 0.0125 19.3281 27.8700
814 CA THR 109 0.0216 23.9527 27.7300
821 CA ARG 110 0.0294 27.8610 27.5600
832 CA LYS 111 0.0263 26.2943 32.4900
846 CA LEU 112 0.0222 24.2351 37.8200
854 CA SER 113 0.0261 26.1907 52.6600
860 CA GLU 114 0.0231 24.7036 59.1500
869 CA LYS 115 0.0573 41.9237 55.9500
878 CA ASP 116 0.0351 30.7390 45.5700
886 CA LEU 117 0.0135 19.8521 31.3600
894 CA GLU 118 0.0139 20.0751 31.5500
903 CA LYS 119 0.0217 24.0090 29.1000
912 CA SER 120 0.0129 19.5693 30.7200
918 CA VAL 121 0.0086 17.3846 22.4500
925 CA LEU 122 0.0094 17.7928 25.1600
933 CA ASN 123 0.0115 18.8696 31.6700
941 CA TYR 124 0.0093 17.7219 18.7200
953 CA ALA 125 0.0132 19.6992 25.5800
958 CA THR 126 0.0182 22.2008 36.3000
965 CA PRO 127 0.0337 30.0230 22.8300
972 CA LYS 128 0.0284 27.3585 24.6500
981 CA TRP 129 0.0155 20.8643 31.8900
995 CA LYS 130 0.0226 24.4262 36.1300
1004 CA ASN 131 0.0197 22.9893 34.3200
1012 CA ARG 132 0.0146 20.4156 27.6400
1023 CA ILE 133 0.0083 17.2492 23.0200
1031 CA GLY 134 0.0084 17.2985 27.6400
1035 CA TYR 135 0.0083 17.2191 24.5100
1047 CA VAL 136 0.0097 17.9260 20.1800
1054 CA PRO 137 0.0127 19.4783 23.5900
1061 CA THR 138 0.0159 21.0879 21.9800
1068 CA SER 139 0.0092 17.6780 20.3800
1074 CA GLY 140 0.0094 17.7973 18.6500
1078 CA ALA 141 0.0071 16.6440 16.3500
1083 CA PHE 142 0.0058 15.9857 14.9500
1094 CA LEU 143 0.0080 17.0701 20.9600
1102 CA GLU 144 0.0065 16.3527 19.9900
1111 CA GLN 145 0.0064 16.3037 17.8800
1120 CA ILE 146 0.0068 16.4860 19.3300
1128 CA VAL 147 0.0097 17.9582 22.5600
1135 CA ALA 148 0.0104 18.3169 17.3700
1140 CA ILE 149 0.0113 18.7732 16.4300
1148 CA VAL 150 0.0149 20.5425 18.7300
1155 CA LYS 151 0.0182 22.2383 16.9900
1164 CA LEU 152 0.0182 22.2075 24.8000
1172 CA LYS 153 0.0233 24.8047 26.6000
1181 CA GLY 154 0.0272 26.7403 23.7000
1185 CA GLU 155 0.0270 26.6516 27.8800
1194 CA ALA 156 0.0358 31.0597 27.5300
1199 CA ALA 157 0.0219 24.0754 27.5800
1204 CA ALA 158 0.0136 19.8989 23.5100
1209 CA LEU 159 0.0174 21.8430 19.1900
1217 CA LYS 160 0.0207 23.4961 21.2800
1226 CA TRP 161 0.0102 18.1957 18.7600
1240 CA LEU 162 0.0099 18.0636 22.6300
1248 CA LYS 163 0.0165 21.3650 27.6600
1257 CA GLY 164 0.0162 21.1968 19.3800
1261 CA LEU 165 0.0105 18.3295 23.6700
1269 CA LYS 166 0.0154 20.8125 27.9400
1278 CA GLU 167 0.0282 27.2521 22.7400
1287 CA TYR 168 0.0187 22.4507 29.4300
1299 CA GLY 169 0.0122 19.1882 34.7100
1303 CA LYS 170 0.0147 20.4613 37.5300
1312 CA PRO 171 0.0145 20.3611 29.2900
1319 CA TYR 172 0.0156 20.9384 25.8200
1331 CA ALA 173 0.0270 26.6548 27.3200
1336 CA LYS 174 0.0234 24.8195 20.2600
1345 CA ASN 175 0.0098 17.9706 22.1300
1353 CA SER 176 0.0150 20.6364 22.0200
1359 CA VAL 177 0.0185 22.3711 22.5800
1366 CA ALA 178 0.0118 19.0183 24.5900
1371 CA LEU 179 0.0101 18.1235 19.0200
1379 CA GLN 180 0.0157 20.9463 21.2900
1388 CA ALA 181 0.0175 21.8917 25.8600
1393 CA VAL 182 0.0123 19.2399 23.2400
1400 CA GLU 183 0.0162 21.2302 29.0100
1409 CA ASN 184 0.0267 26.4955 30.9000
1417 CA GLY 185 0.0223 24.2619 32.1000
1421 CA GLU 186 0.0254 25.8672 36.3400
1430 CA ILE 187 0.0142 20.1947 33.4100
1438 CA ASP 188 0.0125 19.3492 29.2600
1446 CA ALA 189 0.0071 16.6242 26.1800
1451 CA ALA 190 0.0060 16.0851 20.6000
1456 CA LEU 191 0.0039 15.0340 22.3300
1464 CA ILE 192 0.0049 15.5321 15.3200
1472 CA ASN 193 0.0055 15.8514 14.7000
1480 CA ASN 194 0.0057 15.9114 20.0900
1488 CA TYR 195 0.0071 16.6210 20.3900
1500 CA TYR 196 0.0074 16.8096 17.4700
1512 CA TRP 197 0.0103 18.2425 27.7500
1526 CA HIS 198 0.0114 18.7820 32.8700
1536 CA ALA 199 0.0200 23.1513 29.6700
1541 CA PHE 200 0.0164 21.3119 27.6100
1552 CA ALA 201 0.0278 27.0366 32.4000
1557 CA ARG 202 0.0448 35.5990 31.9500
1568 CA GLU 203 0.0658 46.1714 25.0200
1577 CA LYS 204 0.0477 37.0894 19.9100
1586 CA GLY 205 0.0530 39.7472 16.1800
1590 CA VAL 206 0.0456 36.0010 18.8000
1597 CA GLN 207 0.1010 63.9261 36.6700
1606 CA ASN 208 0.0623 44.4319 28.5700
1614 CA VAL 209 0.0238 25.0214 22.4200
1624 CA HIS 210 0.0216 23.9291 26.4800
1634 CA THR 211 0.0112 18.7018 26.8400
1641 CA ARG 212 0.0125 19.3694 25.9600
1652 CA LEU 213 0.0075 16.8159 20.8600
1660 CA ASN 214 0.0080 17.0949 25.0700
1668 CA PHE 215 0.0092 17.7037 21.7600
1679 CA VAL 216 0.0106 18.3874 20.2300
1686 CA ARG 217 0.0146 20.3963 25.1900
1697 CA HIS 218 0.0228 24.5396 33.1800
1707 CA ARG 219 0.0166 21.3929 26.7000
1718 CA ASP 220 0.0137 19.9728 22.0200
1726 CA PRO 221 0.0090 17.6159 25.6700
1733 CA GLY 222 0.0079 17.0563 22.6400
1737 CA ALA 223 0.0082 17.2047 22.4400
1742 CA LEU 224 0.0074 16.7693 14.6500
1750 CA VAL 225 0.0064 16.2723 17.8600
1757 CA THR 226 0.0061 16.1260 15.4700
1764 CA TYR 227 0.0059 16.0203 12.5200
1776 CA SER 228 0.0054 15.7571 6.2500
1782 CA GLY 229 0.0047 15.4122 15.8900
1786 CA ALA 230 0.0040 15.0772 11.4900
1791 CA ALA 231 0.0059 16.0054 18.6300
1796 CA VAL 232 0.0075 16.8397 17.2600
1803 CA LEU 233 0.0114 18.8003 18.7600
1811 CA LYS 234 0.0168 21.5324 23.0700
1820 CA SER 235 0.0244 25.3569 20.5800
1826 CA SER 236 0.0194 22.8254 19.5200
1832 CA GLN 237 0.0418 34.1154 32.8700
1841 CA ASN 238 0.0246 25.4226 24.5600
1849 CA LYS 239 0.0194 22.8250 22.2200
1858 CA ASP 240 0.0309 28.6052 25.6600
1866 CA GLU 241 0.0174 21.8225 18.5600
1875 CA ALA 242 0.0108 18.4995 23.0900
1880 CA LYS 243 0.0114 18.7934 19.3000
1889 CA LYS 244 0.0130 19.6181 18.1700
1898 CA PHE 245 0.0071 16.6265 13.7100
1909 CA VAL 246 0.0066 16.3740 18.2000
1916 CA ALA 247 0.0102 18.1922 19.1400
1921 CA PHE 248 0.0089 17.5599 14.7800
1932 CA LEU 249 0.0059 16.0371 13.2300
1940 CA ALA 250 0.0074 16.7750 19.5900
1945 CA GLY 251 0.0148 20.5231 26.4900
1949 CA LYS 252 0.0163 21.2412 36.3400
1963 CA GLU 253 0.0164 21.2937 30.8900
1972 CA GLY 254 0.0107 18.4504 17.6200
1976 CA GLN 255 0.0096 17.8819 20.4300
1985 CA ARG 256 0.0153 20.7459 20.2400
2003 CA ALA 257 0.0113 18.7660 21.4100
2008 CA LEU 258 0.0085 17.3323 19.9600
2016 CA THR 259 0.0114 18.7890 22.9800
2023 CA ALA 260 0.0155 20.8761 25.7400
2028 CA VAL 261 0.0119 19.0745 24.3500
2035 CA ARG 262 0.0094 17.8119 21.4500
2046 CA ALA 263 0.0078 16.9652 21.4600
2051 CA GLU 264 0.0067 16.4214 16.4100
2060 CA TYR 265 0.0077 16.9434 12.1300
2072 CA PRO 266 0.0099 18.0487 20.4100
2079 CA LEU 267 0.0106 18.3864 16.0400
2087 CA ASN 268 0.0119 19.0354 23.0700
2095 CA PRO 269 0.0307 28.4905 20.6700
2102 CA HIS 270 0.0324 29.3498 23.0700
2118 CA VAL 271 0.0198 23.0239 24.3100
2125 CA VAL 272 0.0335 29.9154 26.8600
2135 CA SER 273 0.0209 23.5853 24.8700
2141 CA THR 274 0.0361 31.2326 37.5600
2148 CA PHE 275 0.0275 26.8814 41.2100
2159 CA ASN 276 0.0561 41.3236 40.1200
2167 CA LEU 277 0.0189 22.5680 29.8000
2175 CA GLU 278 0.0193 22.7946 25.3600
2184 CA PRO 279 0.0322 29.2500 20.1000
2191 CA ILE 280 0.0222 24.2581 20.1900
2199 CA ALA 281 0.0451 35.7438 25.6200
2204 CA LYS 282 0.0312 28.7910 23.8200
2213 CA LEU 283 0.0136 19.9019 20.3500
2221 CA GLU 284 0.0176 21.9063 20.8300
2230 CA ALA 285 0.0148 20.5194 20.9500
2235 CA PRO 286 0.0161 21.1818 23.1700
2242 CA GLN 287 0.0313 28.8118 25.0900
2251 CA VAL 288 0.0248 25.5429 21.5900
2258 CA SER 289 0.0443 35.3396 18.2500
2264 CA ALA 290 0.0300 28.1776 18.9400
2269 CA THR 291 0.0169 21.5697 23.8100
2276 CA THR 292 0.0234 24.8203 14.5900
2283 CA VAL 293 0.0243 25.2905 17.4500
2290 CA SER 294 0.0336 29.9667 19.7400
2296 CA GLU 295 0.0195 22.8741 15.5700
2305 CA LYS 296 0.0167 21.4699 15.5200
2314 CA GLU 297 0.0301 28.2025 13.9400
2323 CA HIS 298 0.0222 24.2244 19.2300
2333 CA ALA 299 0.0163 21.2584 27.3600
2338 CA THR 300 0.0228 24.5385 33.6900
2345 CA ARG 301 0.0284 27.3460 31.0900
2356 CA LEU 302 0.0196 22.9298 30.9400
2364 CA LEU 303 0.0180 22.1363 18.5500
2372 CA GLU 304 0.0310 28.6559 22.7100
2381 CA GLN 305 0.0305 28.3955 21.7900
2390 CA ALA 306 0.0249 25.5952 26.2200
2395 CA GLY 307 0.0345 30.4409 28.6700
2399 CA MET 308 0.0265 26.3937 36.8900
2407 CA LYS 309 0.0725 49.5716 40.8900

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: October 18th, 2018.

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