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

* pepA-elnemo thermo predictor *

B-factor analysis for ID 2503050418142352473

Overall B-factor prediction

Correlation= -0.708 for 325 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 SER 1 0.0248 0.8712 0.8800
8 CA LYS 2 0.0182 0.8614 0.8900
17 CA GLY 3 0.0130 0.8536 0.9200
21 CA SER 4 0.0122 0.8525 0.9200
27 CA ALA 5 0.0097 0.8487 0.9300
32 CA VAL 6 0.0108 0.8503 0.9200
39 CA THR 7 0.0102 0.8494 0.9100
46 CA THR 8 0.0126 0.8530 0.9000
53 CA PRO 9 0.0127 0.8532 0.9200
60 CA GLN 10 0.0161 0.8583 0.8700
69 CA ASN 11 0.0387 0.8919 0.8300
77 CA ASN 12 0.0226 0.8679 0.8500
85 CA ASP 13 0.0125 0.8528 0.9100
93 CA GLU 14 0.0165 0.8588 0.8800
102 CA GLU 15 0.0116 0.8515 0.8800
111 CA TYR 16 0.0091 0.8478 0.9100
123 CA LEU 17 0.0095 0.8484 0.9100
131 CA THR 18 0.0086 0.8471 0.9100
138 CA PRO 19 0.0105 0.8498 0.9200
145 CA VAL 20 0.0091 0.8478 0.9100
152 CA THR 21 0.0126 0.8530 0.8900
159 CA VAL 22 0.0099 0.8490 0.8700
166 CA GLY 23 0.0165 0.8589 0.8500
170 CA LYS 24 0.0299 0.8787 0.7800
179 CA SER 25 0.0176 0.8605 0.8500
185 CA THR 26 0.0167 0.8591 0.8700
192 CA LEU 27 0.0101 0.8493 0.8800
200 CA HIS 28 0.0106 0.8500 0.8800
210 CA LEU 29 0.0064 0.8438 0.9200
218 CA ASP 30 0.0073 0.8451 0.9200
226 CA PHE 31 0.0054 0.8423 0.9300
237 CA ASP 32 0.0061 0.8433 0.9300
245 CA THR 33 0.0059 0.8431 0.9500
252 CA GLY 34 0.0074 0.8453 0.9400
256 CA SER 35 0.0082 0.8465 0.9300
262 CA ALA 36 0.0074 0.8453 0.9400
267 CA ASP 37 0.0072 0.8450 0.9300
275 CA LEU 38 0.0052 0.8420 0.9300
283 CA TRP 39 0.0064 0.8438 0.9000
297 CA VAL 40 0.0064 0.8439 0.9200
304 CA PHE 41 0.0102 0.8494 0.8900
315 CA SER 42 0.0132 0.8539 0.8500
321 CA ASP 43 0.0275 0.8753 0.8500
329 CA GLU 44 0.0277 0.8755 0.8000
338 CA LEU 45 0.0303 0.8794 0.8300
346 CA PRO 46 0.0483 0.9061 0.8500
353 CA SER 47 0.0806 0.9543 0.8700
359 CA SER 48 0.0825 0.9571 0.8500
365 CA GLU 49 0.0339 0.8847 0.8200
374 CA GLN 50 0.0289 0.8772 0.8000
383 CA THR 51 0.0583 0.9211 0.8400
390 CA GLY 52 0.0445 0.9005 0.8600
394 CA HIS 53 0.0193 0.8630 0.8500
404 CA ASP 54 0.0175 0.8603 0.8900
412 CA LEU 55 0.0142 0.8555 0.8900
420 CA TYR 56 0.0107 0.8502 0.8700
432 CA THR 57 0.0217 0.8666 0.7500
439 CA PRO 58 0.0222 0.8672 0.7200
446 CA SER 59 0.0362 0.8881 0.7200
452 CA SER 60 0.1122 1.0012 0.8000
458 CA SER 61 0.0574 0.9198 0.6900
464 CA ALA 62 0.0318 0.8817 0.8000
469 CA THR 63 0.0417 0.8963 0.8500
476 CA LYS 64 0.0322 0.8822 0.8300
485 CA LEU 65 0.0306 0.8799 0.8700
493 CA SER 66 0.0596 0.9230 0.8600
499 CA GLY 67 0.0533 0.9136 0.8800
503 CA TYR 68 0.0327 0.8829 0.8700
515 CA THR 69 0.0232 0.8688 0.8900
522 CA TRP 70 0.0180 0.8611 0.8700
536 CA ASP 71 0.0235 0.8693 0.9100
544 CA ILE 72 0.0234 0.8690 0.9000
552 CA SER 73 0.0439 0.8996 0.8700
558 CA TYR 74 0.0509 0.9101 0.7900
570 CA GLY 75 0.1678 1.0839 0.7700
574 CA ASP 76 0.1235 1.0181 0.6700
582 CA GLY 77 0.0958 0.9768 0.8300
586 CA SER 78 0.0466 0.9036 0.8800
592 CA SER 79 0.0307 0.8799 0.8900
598 CA ALA 80 0.0207 0.8650 0.9100
603 CA SER 81 0.0197 0.8635 0.9100
609 CA GLY 82 0.0176 0.8605 0.9000
613 CA ASP 83 0.0168 0.8593 0.8800
621 CA VAL 84 0.0135 0.8544 0.8800
628 CA TYR 85 0.0130 0.8536 0.8800
640 CA ARG 86 0.0143 0.8555 0.8200
651 CA ASP 87 0.0135 0.8544 0.8700
659 CA THR 88 0.0145 0.8559 0.8700
666 CA VAL 89 0.0097 0.8487 0.9000
673 CA THR 90 0.0116 0.8516 0.9200
680 CA VAL 91 0.0095 0.8485 0.9300
687 CA GLY 92 0.0128 0.8533 0.9300
691 CA GLY 93 0.0204 0.8647 0.9300
695 CA VAL 94 0.0141 0.8553 0.9100
702 CA THR 95 0.0161 0.8582 0.8800
709 CA THR 96 0.0146 0.8560 0.8600
716 CA ASN 97 0.0252 0.8718 0.8100
724 CA LYS 98 0.0205 0.8648 0.7800
733 CA GLN 99 0.0092 0.8480 0.8800
742 CA ALA 100 0.0089 0.8475 0.9300
747 CA VAL 101 0.0071 0.8449 0.9200
754 CA GLU 102 0.0074 0.8452 0.9100
763 CA ALA 103 0.0099 0.8490 0.9200
768 CA ALA 104 0.0121 0.8523 0.9200
773 CA SER 105 0.0212 0.8658 0.8900
779 CA LYS 106 0.0301 0.8791 0.8600
788 CA ILE 107 0.0256 0.8724 0.8900
796 CA SER 108 0.0350 0.8864 0.8900
802 CA SER 109 0.0573 0.9196 0.8900
808 CA GLU 110 0.0497 0.9082 0.8600
817 CA PHE 111 0.0237 0.8696 0.8600
828 CA VAL 112 0.0278 0.8756 0.8800
835 CA GLN 113 0.0502 0.9089 0.8100
844 CA ASN 114 0.0312 0.8808 0.8400
852 CA THR 115 0.0295 0.8782 0.8200
859 CA ALA 116 0.0212 0.8658 0.7900
864 CA ASN 117 0.0133 0.8541 0.8700
872 CA ASP 118 0.0102 0.8494 0.8900
880 CA GLY 119 0.0072 0.8450 0.9400
884 CA LEU 120 0.0066 0.8441 0.9300
892 CA LEU 121 0.0047 0.8412 0.9400
900 CA GLY 122 0.0053 0.8422 0.9600
904 CA LEU 123 0.0054 0.8423 0.9400
912 CA ALA 124 0.0069 0.8446 0.9600
917 CA PHE 125 0.0095 0.8485 0.9200
928 CA SER 126 0.0113 0.8512 0.9200
934 CA SER 127 0.0236 0.8694 0.9200
940 CA ILE 128 0.0201 0.8641 0.9200
948 CA ASN 129 0.0144 0.8557 0.9100
956 CA THR 130 0.0176 0.8605 0.8900
963 CA VAL 131 0.0207 0.8652 0.8900
970 CA GLN 132 0.0368 0.8891 0.8400
979 CA PRO 133 0.0633 0.9284 0.8500
986 CA LYS 134 0.0578 0.9203 0.8200
995 CA ALA 135 0.0216 0.8665 0.8800
1000 CA GLN 136 0.0153 0.8571 0.8600
1009 CA THR 137 0.0092 0.8479 0.9000
1016 CA THR 138 0.0069 0.8446 0.9200
1023 CA PHE 139 0.0072 0.8450 0.9200
1034 CA PHE 140 0.0064 0.8438 0.9100
1045 CA ASP 141 0.0109 0.8505 0.8900
1053 CA THR 142 0.0111 0.8507 0.9000
1060 CA VAL 143 0.0122 0.8525 0.9000
1067 CA LYS 144 0.0138 0.8548 0.8400
1076 CA SER 145 0.0318 0.8816 0.8600
1082 CA GLN 146 0.0249 0.8714 0.8300
1091 CA LEU 147 0.0173 0.8600 0.8700
1099 CA ASP 148 0.0278 0.8756 0.9000
1107 CA SER 149 0.0188 0.8622 0.9000
1113 CA PRO 150 0.0142 0.8555 0.9100
1120 CA LEU 151 0.0076 0.8456 0.9100
1128 CA PHE 152 0.0063 0.8437 0.9300
1139 CA ALA 153 0.0058 0.8430 0.9500
1144 CA VAL 154 0.0059 0.8431 0.9400
1151 CA GLN 155 0.0070 0.8447 0.9000
1160 CA LEU 156 0.0070 0.8448 0.9100
1168 CA LYS 157 0.0102 0.8495 0.8800
1177 CA HIS 158 0.0115 0.8514 0.8800
1187 CA ASP 159 0.0211 0.8656 0.8900
1195 CA ALA 160 0.0213 0.8660 0.9200
1200 CA PRO 161 0.0164 0.8586 0.9000
1207 CA GLY 162 0.0107 0.8502 0.9200
1211 CA VAL 163 0.0077 0.8458 0.9100
1218 CA TYR 164 0.0066 0.8442 0.9100
1230 CA ASP 165 0.0076 0.8456 0.9200
1238 CA PHE 166 0.0071 0.8449 0.9200
1249 CA GLY 167 0.0118 0.8518 0.9400
1253 CA TYR 168 0.0137 0.8546 0.9000
1265 CA ILE 169 0.0134 0.8543 0.9000
1273 CA ASP 170 0.0169 0.8594 0.8600
1281 CA ASP 171 0.0345 0.8855 0.8500
1289 CA SER 172 0.0424 0.8973 0.8600
1295 CA LYS 173 0.0148 0.8562 0.8600
1304 CA TYR 174 0.0162 0.8583 0.8700
1316 CA THR 175 0.0375 0.8900 0.8800
1323 CA GLY 176 0.0504 0.9093 0.8800
1327 CA SER 177 0.0311 0.8805 0.8500
1333 CA ILE 178 0.0161 0.8582 0.8900
1341 CA THR 179 0.0137 0.8547 0.8800
1348 CA TYR 180 0.0124 0.8527 0.8700
1360 CA THR 181 0.0134 0.8542 0.8800
1367 CA ASP 182 0.0177 0.8606 0.8800
1375 CA ALA 183 0.0147 0.8561 0.9100
1380 CA ASP 184 0.0169 0.8594 0.8700
1388 CA SER 185 0.0189 0.8624 0.9000
1394 CA SER 186 0.0566 0.9185 0.8500
1400 CA GLN 187 0.0261 0.8731 0.8600
1409 CA GLY 188 0.0178 0.8608 0.9300
1413 CA TYR 189 0.0100 0.8492 0.9100
1425 CA TRP 190 0.0081 0.8463 0.8900
1439 CA GLY 191 0.0108 0.8504 0.9200
1443 CA PHE 192 0.0099 0.8490 0.8800
1454 CA SER 193 0.0150 0.8566 0.8700
1460 CA THR 194 0.0136 0.8546 0.8700
1467 CA ASP 195 0.0226 0.8680 0.8500
1475 CA GLY 196 0.0198 0.8638 0.8600
1479 CA TYR 197 0.0164 0.8586 0.8600
1491 CA SER 198 0.0186 0.8619 0.8600
1497 CA ILE 199 0.0183 0.8615 0.8500
1505 CA GLY 200 0.0248 0.8711 0.8600
1509 CA ASP 201 0.1285 1.0255 0.8000
1517 CA GLY 202 0.1222 1.0161 0.8100
1521 CA SER 203 0.1291 1.0263 0.6500
1527 CA SER 204 0.0500 0.9087 0.7300
1533 CA SER 205 0.0515 0.9110 0.9000
1539 CA SER 206 0.0781 0.9504 0.7400
1545 CA SER 207 0.0594 0.9227 0.8300
1551 CA GLY 208 0.0308 0.8801 0.8900
1555 CA PHE 209 0.0166 0.8590 0.8600
1566 CA SER 210 0.0161 0.8583 0.8800
1572 CA ALA 211 0.0101 0.8494 0.9100
1577 CA ILE 212 0.0093 0.8482 0.9300
1585 CA ALA 213 0.0065 0.8439 0.9600
1590 CA ASP 214 0.0068 0.8444 0.9300
1598 CA THR 215 0.0059 0.8430 0.9500
1605 CA GLY 216 0.0068 0.8443 0.9300
1609 CA THR 217 0.0088 0.8474 0.9100
1616 CA THR 218 0.0084 0.8468 0.9200
1623 CA LEU 219 0.0089 0.8476 0.9300
1631 CA ILE 220 0.0075 0.8455 0.9400
1639 CA LEU 221 0.0123 0.8525 0.9300
1647 CA LEU 222 0.0122 0.8524 0.9200
1655 CA ASP 223 0.0218 0.8667 0.8900
1663 CA ASP 224 0.0278 0.8756 0.8900
1671 CA GLU 225 0.0380 0.8908 0.8300
1680 CA ILE 226 0.0188 0.8623 0.8600
1688 CA VAL 227 0.0162 0.8584 0.9000
1695 CA SER 228 0.0244 0.8705 0.8900
1701 CA ALA 229 0.0247 0.8711 0.8700
1706 CA TYR 230 0.0160 0.8581 0.8800
1718 CA TYR 231 0.0205 0.8648 0.8700
1730 CA GLU 232 0.0378 0.8905 0.8200
1739 CA GLN 233 0.0311 0.8805 0.8300
1748 CA VAL 234 0.0258 0.8726 0.8800
1755 CA SER 235 0.0664 0.9330 0.8700
1761 CA GLY 236 0.0645 0.9303 0.9000
1765 CA ALA 237 0.0330 0.8834 0.9000
1770 CA GLN 238 0.0507 0.9098 0.8400
1779 CA GLU 239 0.0541 0.9148 0.8200
1788 CA SER 240 0.0662 0.9327 0.8200
1794 CA GLU 241 0.1619 1.0752 0.7300
1803 CA GLU 242 0.2581 1.2184 0.7000
1812 CA ALA 243 0.1038 0.9887 0.7500
1817 CA GLY 244 0.0905 0.9689 0.8300
1821 CA GLY 245 0.0346 0.8857 0.9000
1825 CA TYR 246 0.0236 0.8694 0.8900
1837 CA VAL 247 0.0254 0.8720 0.8900
1844 CA PHE 248 0.0268 0.8742 0.8900
1855 CA SER 249 0.0445 0.9006 0.8500
1861 CA CYS 250 0.0436 0.8991 0.8600
1867 CA SER 251 0.0878 0.9650 0.8400
1873 CA THR 252 0.0451 0.9014 0.8400
1880 CA ASN 253 0.0280 0.8759 0.7500
1888 CA PRO 254 0.0185 0.8618 0.9000
1895 CA PRO 255 0.0170 0.8596 0.9200
1902 CA ASP 256 0.0141 0.8553 0.9000
1910 CA PHE 257 0.0097 0.8487 0.9000
1921 CA THR 258 0.0110 0.8506 0.8700
1928 CA VAL 259 0.0106 0.8500 0.8600
1935 CA VAL 260 0.0140 0.8551 0.8600
1942 CA ILE 261 0.0146 0.8560 0.8500
1950 CA GLY 262 0.0264 0.8735 0.8200
1954 CA ASP 263 0.0483 0.9062 0.8000
1962 CA TYR 264 0.0223 0.8674 0.8600
1974 CA LYS 265 0.0178 0.8607 0.8300
1983 CA ALA 266 0.0121 0.8523 0.9000
1988 CA VAL 267 0.0098 0.8488 0.9000
1995 CA VAL 268 0.0082 0.8464 0.9400
2002 CA PRO 269 0.0118 0.8518 0.9200
2009 CA GLY 270 0.0130 0.8537 0.9400
2013 CA LYS 271 0.0156 0.8575 0.8700
2022 CA TYR 272 0.0096 0.8486 0.8900
2034 CA ILE 273 0.0095 0.8484 0.9200
2042 CA ASN 274 0.0132 0.8539 0.8700
2050 CA TYR 275 0.0138 0.8548 0.8400
2062 CA ALA 276 0.0214 0.8661 0.8700
2067 CA PRO 277 0.0496 0.9080 0.8400
2074 CA ILE 278 0.0696 0.9379 0.7400
2082 CA SER 279 0.1928 1.1212 0.8600
2088 CA THR 280 0.3097 1.2951 0.5600
2095 CA GLY 281 0.2676 1.2325 0.6900
2099 CA SER 282 0.1276 1.0241 0.7400
2105 CA SER 283 0.1017 0.9856 0.8100
2111 CA THR 284 0.0539 0.9145 0.8400
2118 CA CYS 285 0.0263 0.8734 0.8500
2124 CA PHE 286 0.0205 0.8648 0.8700
2135 CA GLY 287 0.0118 0.8518 0.9300
2139 CA GLY 288 0.0093 0.8482 0.9500
2143 CA ILE 289 0.0097 0.8487 0.9300
2151 CA GLN 290 0.0136 0.8545 0.8900
2160 CA SER 291 0.0233 0.8690 0.9100
2166 CA ASN 292 0.0238 0.8697 0.8800
2174 CA SER 293 0.0748 0.9456 0.8700
2180 CA GLY 294 0.1323 1.0312 0.8300
2184 CA LEU 295 0.0741 0.9445 0.8100
2192 CA GLY 296 0.0677 0.9351 0.8400
2196 CA LEU 297 0.0243 0.8704 0.8400
2204 CA SER 298 0.0147 0.8561 0.9100
2210 CA ILE 299 0.0092 0.8479 0.9300
2218 CA LEU 300 0.0072 0.8450 0.9300
2226 CA GLY 301 0.0069 0.8446 0.9700
2230 CA ASP 302 0.0062 0.8435 0.9400
2238 CA VAL 303 0.0061 0.8433 0.9500
2245 CA PHE 304 0.0052 0.8420 0.9300
2256 CA LEU 305 0.0059 0.8430 0.9400
2264 CA LYS 306 0.0062 0.8435 0.8900
2273 CA SER 307 0.0070 0.8447 0.9200
2279 CA GLN 308 0.0069 0.8445 0.8900
2288 CA TYR 309 0.0070 0.8448 0.9100
2300 CA VAL 310 0.0063 0.8436 0.9400
2307 CA VAL 311 0.0063 0.8436 0.9400
2314 CA PHE 312 0.0061 0.8433 0.9200
2325 CA ASN 313 0.0092 0.8480 0.8900
2333 CA SER 314 0.0129 0.8534 0.8900
2339 CA GLU 315 0.0332 0.8837 0.8600
2348 CA GLY 316 0.0384 0.8914 0.9100
2352 CA PRO 317 0.0166 0.8590 0.9200
2359 CA LYS 318 0.0123 0.8526 0.8700
2368 CA LEU 319 0.0078 0.8459 0.9000
2376 CA GLY 320 0.0083 0.8467 0.9200
2380 CA PHE 321 0.0079 0.8460 0.9000
2391 CA ALA 322 0.0095 0.8485 0.9100
2396 CA ALA 323 0.0136 0.8545 0.9000
2401 CA GLN 324 0.0111 0.8509 0.8800
2410 CA ALA 325 0.0284 0.8766 0.9200

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 8th, 2025.

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