Should you encounter any unexpected behaviour,
please let us know.
elNémo has been relocated.
Some cleaning from time to time
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* HYDROLASE/HYDROLASE INHIBITOR 09-JUL-13 4LL3 *

B-factor analysis for ID 260928140737447247

Overall B-factor prediction

Correlation= 0.624 for 206 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 PRO 1 0.0607 63.9485 67.4900
9 CA GLN 2 0.0346 43.9014 63.9900
18 CA ILE 3 0.0213 33.7140 55.1200
26 CA THR 4 0.0231 35.0403 49.3700
33 CA LEU 5 0.0138 27.9397 35.3600
41 CA TRP 6 0.0343 43.6339 42.6000
55 CA GLN 7 0.0452 52.0297 41.0000
64 CA ARG 8 0.0217 34.0043 32.8700
75 CA PRO 9 0.0137 27.8574 29.0600
82 CA LEU 10 0.0208 33.2801 28.2500
90 CA VAL 11 0.0180 31.1667 25.9200
98 CA THR 12 0.0235 35.4090 24.0300
99 CA THR 12 0.0236 35.4750 24.4600
111 CA ILE 13 0.0164 29.9461 22.5300
119 CA LYS 14 0.0233 35.2504 24.4400
128 CA ILE 15 0.0208 33.3118 27.1500
136 CA GLY 16 0.0378 46.3535 31.2100
140 CA GLY 17 0.1104 102.0446 28.3900
144 CA GLN 18 0.0435 50.7271 23.4000
153 CA LEU 19 0.0435 50.7447 19.5900
161 CA LYS 20 0.0253 36.7422 20.6700
170 CA GLU 21 0.0226 34.6842 23.1800
179 CA ALA 22 0.0124 26.8681 19.5500
184 CA LEU 23 0.0104 25.3090 21.9400
192 CA LEU 24 0.0083 23.6894 22.5900
200 CA ASP 25 0.0088 24.0950 21.5200
208 CA THR 26 0.0082 23.6289 22.9900
215 CA GLY 27 0.0109 25.6729 21.8500
219 CA ALA 28 0.0118 26.3717 21.5300
224 CA ASP 29 0.0173 30.6143 26.4700
232 CA ASP 30 0.0115 26.1603 27.2200
233 CA ASP 30 0.0115 26.1408 27.2400
245 CA THR 31 0.0081 23.5786 23.2100
252 CA VAL 32 0.0083 23.6926 24.2900
259 CA LEU 33 0.0092 24.4411 26.4900
267 CA GLU 34 0.0173 30.6218 36.8500
276 CA GLU 35 0.0309 41.0259 51.0400
285 CA MET 36 0.0288 39.4584 56.8700
293 CA ASN 37 0.0459 52.5842 69.6500
301 CA LEU 38 0.0276 38.4929 63.1600
309 CA PRO 39 0.0730 73.3841 79.7500
316 CA GLY 40 0.1417 126.0218 89.2500
320 CA ARG 41 0.0785 77.5432 93.1400
331 CA TRP 42 0.0384 46.7986 77.4600
345 CA LYS 43 0.0448 51.7288 81.6200
354 CA PRO 44 0.0505 56.1251 77.1800
361 CA LYS 45 0.0320 41.9251 65.0900
370 CA MET 46 0.0422 49.7018 56.0600
378 CA ILE 47 0.0311 41.2236 42.7100
386 CA GLY 48 0.0462 52.8228 42.3500
390 CA GLY 49 0.0465 52.9936 37.7700
394 CA ILE 50 0.0282 38.9624 38.0400
402 CA GLY 51 0.0348 44.0268 40.3300
406 CA GLY 52 0.0465 53.0030 40.3100
410 CA PHE 53 0.0432 50.4967 39.8200
411 CA PHE 53 0.0433 50.5570 39.8600
429 CA ILE 54 0.0292 39.7403 36.9400
437 CA LYS 55 0.0343 43.6476 40.1500
446 CA VAL 56 0.0198 32.5410 41.0800
453 CA ARG 57 0.0195 32.3311 49.1300
464 CA GLN 58 0.0186 31.6098 45.9000
473 CA TYR 59 0.0184 31.4731 47.1700
485 CA ASP 60 0.0316 41.5854 51.2500
493 CA GLN 61 0.0439 51.0211 49.1500
502 CA ILE 62 0.0200 32.6636 39.1600
510 CA LEU 63 0.0253 36.7901 29.4400
518 CA ILE 64 0.0149 28.7771 28.9600
526 CA GLU 65 0.0200 32.6576 31.3400
535 CA ILE 66 0.0147 28.6154 32.2500
543 CA CYS 67 0.0235 35.3972 39.6400
549 CA GLY 68 0.0401 48.1401 41.6800
553 CA HIS 69 0.0246 36.2163 40.1400
563 CA LYS 70 0.0282 38.9552 36.5600
572 CA ALA 71 0.0188 31.7771 34.1000
577 CA ILE 72 0.0244 36.0517 35.6400
585 CA GLY 73 0.0191 31.9614 34.7200
589 CA THR 74 0.0143 28.3335 33.6800
596 CA VAL 75 0.0094 24.5399 29.1500
603 CA LEU 76 0.0093 24.4513 31.2700
611 CA VAL 77 0.0118 26.4340 32.3500
618 CA GLY 78 0.0167 30.1325 35.0800
622 CA PRO 79 0.0249 36.4613 35.3000
629 CA THR 80 0.0188 31.7660 28.4800
636 CA PRO 81 0.0392 47.4186 31.1100
643 CA VAL 82 0.0237 35.4996 27.1900
650 CA ASN 83 0.0130 27.3048 22.0500
659 CA ILE 84 0.0101 25.1325 20.2100
660 CA ILE 84 0.0100 25.0462 20.7000
674 CA ILE 85 0.0072 22.8383 20.7700
682 CA GLY 86 0.0087 24.0240 21.0900
686 CA ARG 87 0.0106 25.4451 23.1000
697 CA ASN 88 0.0124 26.8580 27.9600
705 CA LEU 89 0.0102 25.1372 25.4200
713 CA LEU 90 0.0093 24.4889 23.9800
721 CA THR 91 0.0141 28.1992 30.9000
728 CA GLN 92 0.0179 31.0425 36.7000
737 CA ILE 93 0.0168 30.2034 36.0300
745 CA GLY 94 0.0183 31.4052 41.4300
749 CA CYS 95 0.0135 27.6917 37.4100
755 CA THR 96 0.0163 29.8384 39.2000
762 CA LEU 97 0.0122 26.7323 36.7300
770 CA ASN 98 0.0186 31.6249 46.8600
778 CA PHE 99 0.0214 33.7699 50.0200
790 CA PRO 1 0.0678 69.3342 67.0100
797 CA GLN 2 0.0371 45.7901 62.8300
806 CA ILE 3 0.0205 33.0992 52.8500
814 CA THR 4 0.0229 34.8799 46.9600
821 CA LEU 5 0.0134 27.5967 33.1900
829 CA TRP 6 0.0298 40.2411 39.5700
843 CA GLN 7 0.0368 45.5633 38.8000
844 CA GLN 7 0.0367 45.4960 38.7400
858 CA ARG 8 0.0208 33.3142 31.5600
869 CA PRO 9 0.0136 27.7500 28.2000
876 CA LEU 10 0.0204 33.0044 28.5600
884 CA VAL 11 0.0181 31.2560 26.0600
891 CA THR 12 0.0251 36.5953 25.0500
898 CA ILE 13 0.0177 30.9147 22.5500
906 CA LYS 14 0.0254 36.8503 24.0100
915 CA ILE 15 0.0215 33.8421 26.6100
923 CA GLY 16 0.0381 46.5825 30.7600
927 CA GLY 17 0.1128 103.9070 27.9800
931 CA GLN 18 0.0455 52.2175 23.2700
940 CA LEU 19 0.0478 53.9880 19.7600
948 CA LYS 20 0.0271 38.1413 20.8600
957 CA GLU 21 0.0238 35.5742 23.3400
966 CA ALA 22 0.0124 26.8936 19.2900
971 CA LEU 23 0.0106 25.4454 21.7300
979 CA LEU 24 0.0083 23.6810 22.1500
987 CA ASP 25 0.0087 24.0477 20.9900
995 CA THR 26 0.0082 23.6059 22.4100
1002 CA GLY 27 0.0106 25.4818 21.2100
1006 CA ALA 28 0.0120 26.5227 21.0200
1011 CA ASP 29 0.0183 31.4067 26.7400
1020 CA ASP 30 0.0116 26.2813 27.3000
1021 CA ASP 30 0.0117 26.2878 27.5800
1035 CA THR 31 0.0082 23.6502 23.2100
1042 CA VAL 32 0.0081 23.5717 24.3000
1049 CA LEU 33 0.0092 24.4273 26.3600
1057 CA GLU 34 0.0174 30.7036 35.5100
1066 CA GLU 35 0.0309 41.0732 49.5000
1075 CA MET 36 0.0279 38.7358 55.6900
1083 CA ASN 37 0.0441 51.1999 69.2600
1091 CA LEU 38 0.0273 38.2706 64.2100
1099 CA PRO 39 0.0741 74.1596 81.8600
1106 CA GLY 40 0.1620 141.5943 91.3500
1110 CA ARG 41 0.0800 78.7217 92.9600
1121 CA TRP 42 0.0393 47.4872 75.9300
1135 CA LYS 43 0.0459 52.5711 77.6700
1144 CA PRO 44 0.0512 56.6107 71.9900
1151 CA LYS 45 0.0308 40.9724 60.8000
1160 CA MET 46 0.0410 48.8223 52.2300
1168 CA ILE 47 0.0304 40.6375 40.8400
1176 CA GLY 48 0.0461 52.6890 39.9000
1180 CA GLY 49 0.0468 53.2848 35.9900
1184 CA ILE 50 0.0287 39.3742 36.9400
1192 CA GLY 51 0.0346 43.8728 39.3200
1196 CA GLY 52 0.0464 52.9176 38.5600
1200 CA PHE 53 0.0439 50.9997 37.7500
1201 CA PHE 53 0.0438 50.9103 37.6500
1219 CA ILE 54 0.0291 39.6336 34.7800
1227 CA LYS 55 0.0337 43.2037 38.0200
1236 CA VAL 56 0.0197 32.4773 39.5500
1243 CA ARG 57 0.0194 32.2060 48.5800
1254 CA GLN 58 0.0182 31.3101 46.3000
1263 CA TYR 59 0.0186 31.6342 48.9800
1275 CA ASP 60 0.0313 41.3923 52.8600
1283 CA GLN 61 0.0480 54.1873 51.0500
1292 CA ILE 62 0.0208 33.2755 41.3500
1300 CA LEU 63 0.0261 37.3471 29.5100
1308 CA ILE 64 0.0155 29.2376 28.6200
1316 CA GLU 65 0.0211 33.5671 31.2600
1325 CA ILE 66 0.0156 29.2883 32.3000
1333 CA CYS 67 0.0247 36.2725 40.2600
1339 CA GLY 68 0.0450 51.8939 42.4600
1343 CA HIS 69 0.0268 37.8897 40.9900
1353 CA LYS 70 0.0301 40.4012 37.2800
1362 CA ALA 71 0.0199 32.6188 35.1000
1367 CA ILE 72 0.0260 37.2880 36.9300
1375 CA GLY 73 0.0198 32.5269 35.8600
1379 CA THR 74 0.0146 28.5576 34.5900
1386 CA VAL 75 0.0095 24.6075 29.5200
1393 CA LEU 76 0.0090 24.2262 31.9000
1401 CA VAL 77 0.0116 26.2411 33.1900
1408 CA GLY 78 0.0165 30.0136 36.3100
1412 CA PRO 79 0.0249 36.4466 36.7800
1419 CA THR 80 0.0187 31.7217 29.3100
1426 CA PRO 81 0.0387 47.0354 31.9800
1433 CA VAL 82 0.0229 34.8801 27.4600
1440 CA ASN 83 0.0130 27.3487 22.0800
1449 CA ILE 84 0.0103 25.2493 19.8000
1450 CA ILE 84 0.0102 25.1526 20.2700
1464 CA ILE 85 0.0072 22.9052 20.3700
1472 CA GLY 86 0.0088 24.1329 20.5600
1476 CA ARG 87 0.0106 25.5088 23.0400
1487 CA ASN 88 0.0127 27.0913 27.6400
1495 CA LEU 89 0.0104 25.3226 25.2100
1503 CA LEU 90 0.0095 24.6300 24.3300
1511 CA THR 91 0.0148 28.6807 31.7400
1518 CA GLN 92 0.0193 32.1769 37.9600
1527 CA ILE 93 0.0175 30.7614 37.7700
1535 CA GLY 94 0.0189 31.8835 43.8500
1539 CA CYS 95 0.0135 27.6761 38.7800
1545 CA THR 96 0.0164 29.9064 40.5600
1552 CA LEU 97 0.0121 26.6423 37.6600
1560 CA ASN 98 0.0181 31.2680 47.7300
1568 CA PHE 99 0.0214 33.7271 50.0300

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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.

Should you encounter any unexpected behaviour, please let us know. elNémo has been relocated. **Some cleaning from time to time** Sorry for the inconvenience.