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

* REPLICATION 10-JUN-09 3HSL *

B-factor analysis for ID 2504091149373309804

Overall B-factor prediction

Correlation= 0.474 for 287 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 4 0.0801 34.6206 38.7800
7 CA PHE 5 0.0468 27.3611 37.8700
18 CA HIS 6 0.0368 25.1900 34.5400
28 CA TYR 7 0.0234 22.2735 28.4900
40 CA GLY 8 0.0180 21.0841 25.7800
44 CA VAL 9 0.0152 20.4694 24.0400
51 CA ARG 10 0.0176 21.0113 23.2700
62 CA VAL 11 0.0127 19.9447 22.4500
69 CA ASP 12 0.0194 21.3838 21.0800
77 CA VAL 13 0.0174 20.9638 18.9800
84 CA THR 14 0.0308 23.8847 19.5900
91 CA LEU 15 0.0221 21.9876 20.6800
99 CA LEU 16 0.0152 20.4755 20.1900
107 CA SER 17 0.0203 21.5977 22.2300
113 CA LYS 18 0.0232 22.2197 23.6900
118 CA ILE 19 0.0175 20.9888 25.9100
126 CA ARG 20 0.0184 21.1781 27.8800
137 CA ARG 21 0.0197 21.4495 28.4100
148 CA VAL 22 0.0140 20.2091 26.4400
155 CA ASN 23 0.0132 20.0532 25.4900
163 CA GLU 24 0.0177 21.0294 25.6600
172 CA HIS 25 0.0159 20.6216 21.9800
182 CA ILE 26 0.0170 20.8794 19.8900
190 CA LYS 27 0.0192 21.3498 20.5900
199 CA SER 28 0.0350 24.7817 22.7000
205 CA ALA 29 0.0250 22.6205 21.7800
210 CA THR 30 0.0161 20.6669 21.6100
217 CA LYS 31 0.0224 22.0452 23.4100
226 CA THR 32 0.0241 22.4079 23.8500
233 CA GLY 33 0.0160 20.6631 21.7800
237 CA VAL 34 0.0130 20.0013 21.3100
244 CA VAL 35 0.0091 19.1426 19.1300
251 CA GLN 36 0.0091 19.1535 18.0100
260 CA VAL 37 0.0095 19.2360 15.4200
267 CA HIS 38 0.0160 20.6628 13.6700
277 CA GLY 39 0.0273 23.1100 14.9300
281 CA SER 40 0.0431 26.5564 17.6900
287 CA ALA 41 0.0336 24.4890 18.9200
292 CA CYS 42 0.0417 26.2463 20.9400
298 CA THR 43 0.0319 24.1074 19.5600
305 CA PRO 44 0.0171 20.8927 17.9100
312 CA THR 45 0.0142 20.2680 17.3100
319 CA LEU 46 0.0086 19.0320 16.5900
327 CA SER 47 0.0100 19.3412 19.6900
333 CA VAL 48 0.0099 19.3145 21.3700
340 CA LEU 49 0.0122 19.8160 20.3400
348 CA SER 50 0.0181 21.1189 21.2400
354 CA SER 51 0.0222 22.0110 22.5000
360 CA VAL 52 0.0198 21.4757 21.9500
367 CA GLY 53 0.0282 23.3137 22.7200
371 CA THR 54 0.0332 24.3962 23.9800
378 CA ALA 55 0.0251 22.6356 20.4900
383 CA GLY 56 0.0161 20.6681 16.2400
387 CA VAL 57 0.0156 20.5564 14.7300
394 CA LEU 58 0.0131 20.0264 15.1600
402 CA GLY 59 0.0128 19.9571 15.5800
406 CA LEU 60 0.0112 19.6126 17.1300
414 CA ARG 61 0.0116 19.6864 17.0800
425 CA ILE 62 0.0130 20.0059 16.6600
433 CA LYS 63 0.0169 20.8481 17.9100
438 CA ASN 64 0.0234 22.2549 19.7700
446 CA ALA 65 0.0166 20.7824 22.5400
451 CA LEU 66 0.0151 20.4625 24.6500
459 CA THR 67 0.0219 21.9396 27.2700
466 CA PRO 68 0.0274 23.1366 30.4600
473 CA LEU 69 0.0369 25.1994 34.8200
481 CA VAL 70 0.1324 46.0045 39.5800
488 CA GLY 71 0.1133 41.8583 42.8400
492 CA HIS 72 0.0514 28.3657 44.9100
502 CA THR 73 0.0716 32.7579 47.2900
509 CA GLU 74 0.0642 31.1641 47.8900
518 CA GLY 75 0.0719 32.8367 46.2400
522 CA SER 76 0.1323 45.9904 43.4400
528 CA GLY 77 0.1159 42.4092 38.5900
532 CA ASP 78 0.0601 30.2683 32.6900
540 CA VAL 79 0.0309 23.8919 27.3100
547 CA SER 80 0.0188 21.2650 23.9800
553 CA PHE 81 0.0145 20.3269 20.1200
564 CA SER 82 0.0141 20.2351 20.7500
570 CA PHE 83 0.0134 20.0876 21.0100
581 CA ARG 84 0.0167 20.8154 20.9200
592 CA ASN 85 0.0122 19.8359 19.5900
600 CA THR 86 0.0209 21.7185 17.7900
607 CA SER 87 0.0270 23.0586 18.5200
613 CA VAL 88 0.1293 45.3439 21.5300
620 CA GLY 89 0.2510 71.8482 22.9000
624 CA SER 90 0.0690 32.2008 23.3200
630 CA GLY 91 0.0804 34.6735 23.0500
634 CA PHE 92 0.0228 22.1383 18.9300
645 CA THR 93 0.0176 21.0058 16.0200
652 CA HIS 94 0.0092 19.1722 17.6900
662 CA THR 95 0.0103 19.4119 18.2600
669 CA ARG 96 0.0199 21.4973 19.8200
680 CA GLU 97 0.0146 20.3442 21.2500
689 CA LEU 98 0.0095 19.2329 21.5300
697 CA PHE 99 0.0119 19.7571 21.0600
708 CA GLY 100 0.0241 22.4267 21.5500
712 CA ALA 101 0.0604 30.3206 23.6300
717 CA ASN 102 0.0659 31.5291 26.1300
725 CA VAL 103 0.0305 23.8017 22.5600
732 CA LEU 104 0.0438 26.7050 21.4100
740 CA ASP 105 0.0301 23.7340 21.7700
748 CA ALA 106 0.0141 20.2399 18.3300
753 CA GLY 107 0.0143 20.2917 17.2800
757 CA ILE 108 0.0099 19.3255 17.6400
765 CA ALA 109 0.0138 20.1830 18.9600
770 CA PHE 110 0.0167 20.8116 20.4400
781 CA TYR 111 0.0281 23.2874 24.0300
793 CA ARG 112 0.0571 29.6021 25.3800
798 CA PRO 123 0.0376 25.3589 31.7300
803 CA GLN 124 0.0389 25.6416 29.1900
812 CA PHE 125 0.0248 22.5646 25.6300
823 CA VAL 126 0.0142 20.2644 21.8200
830 CA ARG 127 0.0148 20.3838 22.0100
841 CA THR 128 0.0119 19.7622 20.5900
848 CA THR 129 0.0178 21.0534 20.2000
855 CA ILE 130 0.0180 21.0861 20.4100
863 CA SER 131 0.0342 24.6231 20.6800
869 CA TYR 132 0.0423 26.3923 20.6600
881 CA GLY 133 0.0856 35.8216 22.8900
885 CA ASP 134 0.1242 44.2261 25.0000
893 CA ASN 135 0.1494 49.7046 22.6900
901 CA LEU 136 0.1600 52.0268 19.0600
909 CA THR 137 0.0884 36.4175 17.5400
916 CA SER 138 0.0613 30.5296 18.2100
922 CA THR 139 0.0305 23.8080 19.2600
929 CA VAL 140 0.0275 23.1549 18.1100
936 CA HIS 141 0.0209 21.7297 16.8800
946 CA LYS 142 0.0227 22.1125 17.7800
955 CA SER 143 0.0216 21.8716 18.3200
961 CA VAL 144 0.0249 22.5853 18.8300
968 CA VAL 145 0.0212 21.7970 20.7600
975 CA ASP 146 0.0301 23.7336 22.5600
983 CA GLN 147 0.0305 23.8133 22.2200
992 CA LYS 148 0.0480 27.6326 23.8200
1001 CA GLY 149 0.0616 30.5811 27.6000
1005 CA ILE 150 0.0363 25.0709 31.7100
1013 CA LEU 151 0.0304 23.7920 35.1200
1021 CA PRO 152 0.0203 21.5849 41.4600
1028 CA PHE 153 0.0225 22.0668 49.5400
1039 CA HIS 154 0.0191 21.3308 54.8100
1049 CA ASP 155 0.0277 23.2124 59.5600
1057 CA ARG 156 0.0448 26.9300 61.4800
1068 CA MET 157 0.0809 34.7879 61.8200
1076 CA GLU 158 0.1666 53.4595 59.2900
1081 CA ALA 159 0.3449 92.3098 55.8500
1086 CA GLY 160 0.2605 73.9187 51.4500
1090 CA GLY 161 0.0717 32.7962 46.3000
1094 CA ARG 162 0.0510 28.2705 40.4500
1105 CA THR 163 0.0258 22.7889 34.3200
1112 CA THR 164 0.0180 21.0865 27.0000
1119 CA ARG 165 0.0117 19.7267 23.0700
1130 CA LEU 166 0.0084 19.0085 22.0700
1138 CA LEU 167 0.0099 19.3166 21.5000
1146 CA LEU 168 0.0108 19.5106 24.3900
1154 CA CYS 169 0.0231 22.1927 23.5600
1160 CA GLY 170 0.0331 24.3848 23.5000
1164 CA LYS 171 0.0526 28.6197 23.6800
1169 CA THR 172 0.0273 23.1151 22.6700
1176 CA GLY 173 0.0230 22.1875 23.0200
1180 CA ALA 174 0.0346 24.6959 24.7500
1185 CA PHE 175 0.0362 25.0527 26.4700
1196 CA LEU 176 0.0191 21.3214 25.4900
1204 CA LEU 177 0.0203 21.5893 24.8900
1212 CA LYS 178 0.0296 23.6148 24.7500
1217 CA TRP 179 0.0268 23.0016 24.9000
1231 CA LEU 180 0.0202 21.5609 26.5300
1239 CA ARG 181 0.0306 23.8243 30.9100
1250 CA GLN 182 0.0432 26.5777 30.4300
1259 CA GLN 183 0.0366 25.1477 30.2100
1268 CA LYS 184 0.0378 25.4048 31.3400
1277 CA THR 185 0.0940 37.6386 32.4400
1284 CA LYS 186 0.1529 50.4666 33.3000
1293 CA GLU 187 0.0933 37.4943 32.5100
1302 CA ASP 188 0.0459 27.1652 29.6500
1310 CA GLN 189 0.0323 24.2015 26.2600
1319 CA THR 190 0.0258 22.7962 21.2400
1326 CA VAL 191 0.0173 20.9323 18.1000
1333 CA THR 192 0.0181 21.1132 15.0200
1340 CA VAL 193 0.0122 19.8365 12.0600
1347 CA SER 194 0.0150 20.4414 10.9300
1353 CA VAL 195 0.0176 21.0096 9.9000
1360 CA SER 196 0.0283 23.3321 11.3800
1366 CA GLU 197 0.0401 25.8958 14.3600
1375 CA THR 198 0.0852 35.7245 15.2700
1382 CA LEU 199 0.0590 30.0284 16.0300
1390 CA SER 200 0.0312 23.9623 16.6000
1396 CA ILE 201 0.0220 21.9532 16.2800
1404 CA VAL 202 0.0147 20.3731 15.8500
1411 CA THR 203 0.0166 20.7882 14.7000
1418 CA PHE 204 0.0152 20.4768 14.4600
1429 CA SER 205 0.0240 22.3945 17.0800
1435 CA LEU 206 0.0277 23.1989 21.1000
1443 CA GLY 207 0.1277 44.9865 23.2700
1447 CA GLY 208 0.1529 50.4771 23.6100
1451 CA VAL 209 0.0510 28.2699 23.5000
1458 CA SER 210 0.0347 24.7291 24.6200
1464 CA LYS 211 0.0243 22.4722 25.2700
1473 CA ILE 212 0.0248 22.5714 24.3400
1481 CA ILE 213 0.0196 21.4476 23.1300
1489 CA ASP 214 0.0239 22.3829 22.8200
1497 CA PHE 215 0.0220 21.9714 21.4400
1508 CA LYS 216 0.0303 23.7745 22.8700
1513 CA PRO 217 0.0334 24.4475 25.3000
1520 CA GLU 218 0.0424 26.3954 28.8500
1529 CA THR 219 0.1441 48.5562 31.1300
1536 CA LYS 220 0.1342 46.4056 33.2300
1541 CA PRO 221 0.0979 38.5021 34.3700
1548 CA VAL 222 0.0563 29.4274 34.4000
1555 CA SER 223 0.0579 29.7756 33.4100
1561 CA GLY 224 0.0436 26.6625 32.1500
1565 CA TRP 225 0.0266 22.9608 30.9500
1579 CA ASP 226 0.0495 27.9614 33.1900
1587 CA GLY 227 0.0460 27.1919 35.3800
1591 CA LEU 228 0.0282 23.3171 37.2900
1599 CA LYS 229 0.0341 24.6042 39.0100
1608 CA GLY 230 0.0418 26.2768 41.1600
1612 CA LYS 231 0.0280 23.2595 41.7400
1621 CA LYS 232 0.0688 32.1613 39.9700
1630 CA SER 233 0.0667 31.6928 36.6200
1636 CA VAL 234 0.0452 27.0204 32.1800
1643 CA ASP 235 0.0190 21.3044 27.1400
1651 CA VAL 236 0.0184 21.1777 23.5300
1658 CA GLY 237 0.0163 20.7140 21.1400
1662 CA VAL 238 0.0196 21.4392 21.4200
1669 CA VAL 239 0.0257 22.7672 23.6300
1676 CA HIS 240 0.0441 26.7706 25.7900
1686 CA THR 241 0.0551 29.1671 23.8800
1693 CA ASP 242 0.0420 26.3189 20.7800
1701 CA ALA 243 0.0243 22.4654 19.3800
1706 CA LEU 244 0.0221 21.9847 18.4100
1714 CA SER 245 0.0172 20.9207 18.8200
1720 CA ARG 246 0.0191 21.3193 20.5200
1731 CA VAL 247 0.0151 20.4553 20.0600
1738 CA SER 248 0.0175 20.9782 20.4500
1744 CA LEU 249 0.0167 20.8063 22.2100
1752 CA GLU 250 0.0226 22.0913 25.5100
1761 CA SER 251 0.0149 20.4033 24.1400
1767 CA LEU 252 0.0104 19.4347 22.2700
1775 CA ILE 253 0.0137 20.1524 21.6900
1783 CA ALA 254 0.0167 20.8128 21.0800
1788 CA ALA 255 0.0115 19.6691 20.7900
1793 CA LEU 256 0.0095 19.2279 20.7000
1801 CA ARG 257 0.0144 20.2960 23.6900
1812 CA LEU 258 0.0141 20.2499 23.6100
1820 CA CYS 259 0.0118 19.7400 24.1000
1826 CA LYS 260 0.0135 20.1037 26.4400
1835 CA VAL 261 0.0182 21.1365 27.1100
1842 CA PRO 262 0.0290 23.4851 27.3000
1849 CA GLY 263 0.0295 23.6013 25.3700
1853 CA TRP 264 0.0207 21.6726 23.3400
1867 CA PHE 265 0.0140 20.2288 20.0100
1878 CA THR 266 0.0138 20.1674 19.7700
1885 CA PRO 267 0.0090 19.1235 20.2100
1892 CA GLY 268 0.0088 19.0745 21.8600
1896 CA LEU 269 0.0069 18.6643 22.3800
1904 CA ILE 270 0.0094 19.2194 21.6600
1912 CA TRP 271 0.0129 19.9746 23.5800
1926 CA HIS 272 0.0207 21.6767 28.1000
1936 CA SER 273 0.0938 37.6113 32.6800
1942 CA ASN 274 0.0746 33.4288 33.4700
1950 CA GLU 275 0.0416 26.2220 32.1200
1959 CA ILE 276 0.0214 21.8371 28.2000
1967 CA LEU 277 0.0100 19.3487 23.7600
1975 CA GLU 278 0.0096 19.2495 20.5600
1984 CA VAL 279 0.0087 19.0571 19.7700
1991 CA GLU 280 0.0099 19.3342 19.5700
2000 CA GLY 281 0.0133 20.0557 19.0400
2004 CA VAL 282 0.0141 20.2448 19.4700
2011 CA PRO 283 0.0217 21.8949 21.3200
2018 CA THR 284 0.0276 23.1912 24.7100
2025 CA GLY 285 0.0486 27.7509 30.2600
2029 CA CYS 286 0.0861 35.9319 34.1700
2035 CA GLN 287 0.0457 27.1170 35.3700
2044 CA SER 288 0.0278 23.2241 34.5200
2050 CA GLY 289 0.0374 25.3082 33.1200
2054 CA ASP 290 0.0230 22.1688 28.9900
2062 CA VAL 291 0.0155 20.5344 23.4600
2069 CA LYS 292 0.0159 20.6345 22.5100
2078 CA LEU 293 0.0121 19.7948 21.6300
2086 CA SER 294 0.0117 19.7186 19.2800
2092 CA VAL 295 0.0118 19.7494 16.8300
2099 CA LEU 296 0.0125 19.8848 17.6300
2107 CA LEU 297 0.0133 20.0575 20.0000
2115 CA LEU 298 0.0203 21.5858 22.2600
2123 CA GLU 299 0.0277 23.2071 25.8200
2132 CA VAL 300 0.0341 24.5896 25.5400

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.