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

* HYDROLASE 19-APR-17 5XH3 *

B-factor analysis for ID 23011622325159002

Overall B-factor prediction

Correlation= 0.711 for 267 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 ASN 1 0.0627 19.3152 17.9800
10 CA PRO 2 0.0554 17.8677 15.9600
17 CA TYR 3 0.0144 9.6408 10.6900
29 CA ALA 4 0.0162 9.9881 11.7100
34 CA ARG 5 0.0114 9.0336 10.7400
45 CA GLY 6 0.0148 9.7239 12.6200
49 CA PRO 7 0.0362 14.0116 13.6500
56 CA ASN 8 0.0345 13.6647 14.2200
64 CA PRO 9 0.0210 10.9539 13.1100
71 CA THR 10 0.0346 13.6864 13.1900
78 CA ALA 11 0.0316 13.0928 14.3800
83 CA ALA 12 0.0456 15.8837 15.2400
88 CA SER 13 0.0171 10.1806 13.4400
94 CA LEU 14 0.0104 8.8350 9.3900
102 CA GLU 15 0.0151 9.7767 9.8600
111 CA ALA 16 0.0194 10.6370 11.8700
116 CA SER 17 0.0322 13.1975 13.5800
122 CA ALA 18 0.0204 10.8327 15.1000
127 CA GLY 19 0.0149 9.7309 10.7200
131 CA PRO 20 0.0187 10.4894 12.2200
138 CA PHE 21 0.0146 9.6823 9.5500
149 CA THR 22 0.0208 10.9206 11.5800
156 CA VAL 23 0.0137 9.5013 10.1300
163 CA ARG 24 0.0211 10.9824 10.7700
174 CA SER 25 0.0146 9.6833 10.3700
180 CA PHE 26 0.0159 9.9375 10.9300
191 CA THR 27 0.0287 12.5038 11.2000
198 CA VAL 28 0.0202 10.8030 10.0000
205 CA SER 29 0.1062 28.0586 13.7400
211 CA ARG 30 0.0706 20.9044 14.6300
222 CA PRO 31 0.0221 11.1723 12.7900
229 CA SER 32 0.0232 11.4054 15.9500
235 CA GLY 33 0.0182 10.4002 15.0900
239 CA TYR 34 0.0125 9.2514 9.7800
251 CA GLY 35 0.0158 9.9176 9.8200
255 CA ALA 36 0.0132 9.3926 7.6200
260 CA GLY 37 0.0102 8.7992 9.0600
264 CA THR 38 0.0091 8.5614 7.8900
271 CA VAL 39 0.0065 8.0548 7.3200
278 CA TYR 40 0.0065 8.0428 7.8500
290 CA TYR 41 0.0084 8.4237 8.9200
302 CA PRO 42 0.0087 8.4820 9.3000
309 CA THR 43 0.0228 11.3185 11.1500
316 CA ASN 44 0.0290 12.5548 11.1000
324 CA ALA 45 0.0161 9.9743 14.9900
329 CA GLY 46 0.0571 18.2030 19.7800
333 CA GLY 47 0.0234 11.4497 12.1100
337 CA THR 48 0.0158 9.9125 10.0900
344 CA VAL 49 0.0067 8.0860 7.7200
351 CA GLY 50 0.0067 8.0885 8.1200
355 CA ALA 51 0.0045 7.6481 6.1300
360 CA ILE 52 0.0043 7.6030 5.9500
368 CA ALA 53 0.0039 7.5234 5.4700
373 CA ILE 54 0.0038 7.5059 6.1600
381 CA VAL 55 0.0047 7.6849 6.7000
388 CA PRO 56 0.0053 7.8178 7.4100
395 CA GLY 57 0.0110 8.9570 9.9000
399 CA TYR 58 0.0141 9.5750 7.9600
411 CA THR 59 0.0259 11.9325 8.4900
418 CA ALA 60 0.0165 10.0501 8.3100
423 CA ARG 61 0.0135 9.4630 8.7000
434 CA GLN 62 0.0101 8.7730 7.9000
443 CA SER 63 0.0205 10.8496 9.7000
444 CA SER 63 0.0205 10.8527 9.7000
452 CA SER 64 0.0123 9.2222 9.0100
458 CA ILE 65 0.0064 8.0383 8.5200
466 CA LYS 66 0.0085 8.4465 9.2300
475 CA TRP 67 0.0069 8.1339 7.7800
489 CA TRP 68 0.0060 7.9546 6.9000
503 CA GLY 69 0.0065 8.0534 8.6000
507 CA PRO 70 0.0071 8.1632 9.1400
514 CA ARG 71 0.0052 7.7979 8.1700
525 CA LEU 72 0.0050 7.7421 7.4000
533 CA ALA 73 0.0064 8.0389 8.0800
538 CA SER 74 0.0075 8.2598 8.4100
544 CA HIS 75 0.0054 7.8390 8.1000
554 CA GLY 76 0.0059 7.9193 8.8000
558 CA PHE 77 0.0037 7.4792 7.3200
569 CA VAL 78 0.0040 7.5424 7.2100
576 CA VAL 79 0.0043 7.6073 6.5800
583 CA ILE 80 0.0044 7.6274 6.6200
591 CA THR 81 0.0059 7.9350 7.1900
598 CA ILE 82 0.0054 7.8326 7.1300
606 CA ASP 83 0.0093 8.6016 7.6200
614 CA THR 84 0.0095 8.6549 7.8300
621 CA ASN 85 0.0221 11.1839 9.1900
629 CA SER 86 0.0302 12.8070 9.5000
635 CA THR 87 0.0220 11.1527 9.1400
642 CA LEU 88 0.0269 12.1320 9.5400
650 CA ASP 89 0.0148 9.7064 8.4200
658 CA GLN 90 0.0162 9.9989 8.2900
667 CA PRO 91 0.0096 8.6758 8.2100
674 CA SER 92 0.0157 9.8999 8.6100
675 CA SER 92 0.0157 9.8902 8.3000
683 CA SER 93 0.0126 9.2650 7.8700
689 CA ARG 94 0.0078 8.3094 7.4800
700 CA SER 95 0.0084 8.4382 6.3800
706 CA SER 96 0.0116 9.0821 7.4400
712 CA GLN 97 0.0078 8.3057 6.9700
721 CA GLN 98 0.0059 7.9261 6.4800
730 CA MET 99 0.0083 8.4171 6.2300
738 CA ALA 100 0.0105 8.8475 7.9400
743 CA ALA 101 0.0075 8.2444 7.9200
748 CA LEU 102 0.0073 8.2107 6.8400
756 CA GLY 103 0.0172 10.1865 8.1100
760 CA GLN 104 0.0137 9.4871 8.0200
769 CA VAL 105 0.0088 8.5139 8.1600
776 CA ALA 106 0.0130 9.3578 9.8600
781 CA SER 107 0.0263 12.0138 12.4600
787 CA LEU 108 0.0177 10.3016 13.0700
795 CA ASN 109 0.0171 10.1785 10.1300
803 CA GLY 110 0.0345 13.6697 12.2000
807 CA THR 111 0.0505 16.8862 14.2900
814 CA SER 112 0.0726 21.3044 17.0200
820 CA SER 113 0.0979 26.3933 19.2900
826 CA SER 114 0.0390 14.5741 14.5400
832 CA PRO 115 0.0222 11.2079 14.8700
839 CA ILE 116 0.0143 9.6221 11.1900
847 CA TYR 117 0.0242 11.5915 13.3700
859 CA GLY 118 0.0356 13.8777 11.8500
863 CA LYS 119 0.0109 8.9295 9.6300
872 CA VAL 120 0.0108 8.9154 8.9800
879 CA ASP 121 0.0135 9.4475 7.7800
887 CA THR 122 0.0146 9.6656 9.1000
894 CA ALA 123 0.0150 9.7551 9.3500
899 CA ARG 124 0.0095 8.6483 7.7200
910 CA MET 125 0.0065 8.0453 7.3500
911 CA MET 125 0.0065 8.0464 8.2900
923 CA GLY 126 0.0064 8.0345 7.7600
927 CA VAL 127 0.0034 7.4361 6.1100
934 CA MET 128 0.0032 7.3871 6.2500
942 CA GLY 129 0.0047 7.6844 6.9500
946 CA TRP 130 0.0043 7.6078 6.3300
960 CA ALA 131 0.0063 8.0021 8.0000
965 CA MET 132 0.0060 7.9432 7.9500
973 CA GLY 133 0.0046 7.6630 7.7300
977 CA GLY 134 0.0045 7.6479 7.5600
981 CA GLY 135 0.0058 7.9017 8.3300
985 CA GLY 136 0.0056 7.8670 7.7200
989 CA SER 137 0.0049 7.7234 6.7100
995 CA LEU 138 0.0049 7.7314 7.4000
1003 CA ILE 139 0.0092 8.5932 6.9500
1011 CA SER 140 0.0085 8.4531 6.5500
1017 CA ALA 141 0.0089 8.5405 7.5900
1022 CA ALA 142 0.0128 9.3049 8.9000
1027 CA ASN 143 0.0283 12.4181 8.6600
1035 CA ASN 144 0.0215 11.0631 7.6200
1043 CA PRO 145 0.0186 10.4741 8.1800
1050 CA SER 146 0.0302 12.7961 7.7800
1051 CA SER 146 0.0303 12.8177 7.4300
1059 CA LEU 147 0.0069 8.1348 7.2900
1067 CA LYS 148 0.0067 8.0820 7.5500
1076 CA ALA 149 0.0042 7.5927 7.1900
1081 CA ALA 150 0.0040 7.5545 6.1700
1086 CA ALA 151 0.0034 7.4189 6.7100
1091 CA PRO 152 0.0033 7.4009 7.2200
1098 CA GLN 153 0.0040 7.5556 6.4400
1107 CA ALA 154 0.0042 7.5940 8.3500
1112 CA PRO 155 0.0055 7.8400 8.8700
1119 CA TRP 156 0.0067 8.0874 13.8900
1133 CA ASP 157 0.0111 8.9709 14.4900
1141 CA SER 158 0.0378 14.3359 20.5400
1147 CA SER 159 0.0294 12.6383 20.7000
1153 CA THR 160 0.0155 9.8527 15.2100
1160 CA ASN 161 0.0201 10.7838 14.7500
1168 CA PHE 162 0.0128 9.3058 10.9400
1179 CA SER 163 0.0190 10.5565 13.3800
1185 CA SER 164 0.0203 10.8104 14.3200
1191 CA VAL 165 0.0115 9.0561 10.0900
1198 CA THR 166 0.0143 9.6062 8.3200
1205 CA VAL 167 0.0080 8.3436 7.6000
1212 CA PRO 168 0.0068 8.1136 7.1200
1219 CA THR 169 0.0043 7.5986 7.0400
1226 CA LEU 170 0.0035 7.4563 7.2500
1234 CA ILE 171 0.0031 7.3741 7.9900
1242 CA PHE 172 0.0030 7.3465 7.9400
1253 CA ALA 173 0.0061 7.9688 8.8400
1258 CA CYS 174 0.0079 8.3275 9.3500
1264 CA GLU 175 0.0158 9.9112 10.1300
1273 CA ASN 176 0.0242 11.5988 11.6300
1281 CA ASP 177 0.0161 9.9811 10.6100
1289 CA SER 178 0.0388 14.5372 14.2400
1290 CA SER 178 0.0389 14.5465 14.2800
1298 CA ILE 179 0.0276 12.2887 11.7600
1306 CA ALA 180 0.0166 10.0686 12.7400
1311 CA PRO 181 0.0168 10.1115 13.6100
1318 CA VAL 182 0.0134 9.4271 10.8800
1325 CA ASN 183 0.0364 14.0519 12.9600
1333 CA SER 184 0.0246 11.6836 13.9800
1339 CA SER 185 0.0098 8.7162 12.2700
1340 CA SER 185 0.0098 8.7170 11.3500
1348 CA ALA 186 0.0084 8.4228 10.2300
1353 CA LEU 187 0.0115 9.0607 10.6600
1361 CA PRO 188 0.0128 9.3139 11.1800
1368 CA ILE 189 0.0079 8.3315 10.9200
1376 CA TYR 190 0.0064 8.0356 9.6300
1388 CA ASP 191 0.0135 9.4513 12.4100
1396 CA SER 192 0.0144 9.6405 11.7700
1402 CA MET 193 0.0112 8.9998 10.4400
1410 CA SER 194 0.0198 10.7229 10.5800
1416 CA ARG 195 0.0248 11.7171 12.9700
1427 CA ASN 196 0.0166 10.0803 9.2100
1435 CA ALA 197 0.0089 8.5389 8.2700
1440 CA LYS 198 0.0070 8.1428 7.6700
1449 CA GLN 199 0.0053 7.8093 7.5500
1458 CA PHE 200 0.0049 7.7269 8.3400
1469 CA LEU 201 0.0065 8.0512 9.1200
1477 CA GLU 202 0.0073 8.2065 9.4600
1486 CA ILE 203 0.0102 8.7851 9.5100
1494 CA ASN 204 0.0186 10.4833 11.3600
1502 CA GLY 205 0.0305 12.8596 13.7900
1506 CA GLY 206 0.0211 10.9812 11.4600
1510 CA SER 207 0.0178 10.3074 10.7600
1516 CA HIS 208 0.0122 9.1852 10.9000
1526 CA SER 209 0.0117 9.1002 9.5100
1532 CA CYS 210 0.0098 8.7185 10.4400
1538 CA ALA 211 0.0069 8.1399 7.6600
1543 CA ASN 212 0.0076 8.2614 7.7500
1551 CA SER 213 0.0125 9.2572 8.3600
1557 CA GLY 214 0.0374 14.2548 10.9000
1561 CA ASN 215 0.0214 11.0306 8.4500
1569 CA SER 216 0.0503 16.8285 10.9400
1575 CA ASN 217 0.0126 9.2717 9.8800
1583 CA GLN 218 0.0104 8.8285 9.6000
1592 CA ALA 219 0.0108 8.9097 9.6300
1597 CA LEU 220 0.0087 8.5003 8.7900
1605 CA ILE 221 0.0058 7.9061 8.2800
1613 CA GLY 222 0.0055 7.8436 8.2600
1617 CA LYS 223 0.0063 8.0005 8.5500
1626 CA LYS 224 0.0053 7.7996 7.7000
1635 CA GLY 225 0.0042 7.5976 7.7100
1639 CA VAL 226 0.0037 7.4922 7.4600
1646 CA ALA 227 0.0046 7.6730 7.6400
1651 CA TRP 228 0.0039 7.5263 7.3700
1665 CA MET 229 0.0039 7.5277 7.3000
1673 CA LYS 230 0.0040 7.5440 8.5000
1682 CA ARG 231 0.0056 7.8744 8.3900
1693 CA PHE 232 0.0067 8.0830 7.3900
1704 CA MET 233 0.0059 7.9195 7.7100
1712 CA ASP 234 0.0066 8.0679 8.6800
1720 CA ASN 235 0.0106 8.8779 8.6900
1728 CA ASP 236 0.0091 8.5788 9.9600
1736 CA THR 237 0.0146 9.6684 9.5700
1743 CA ARG 238 0.0142 9.5953 9.5100
1754 CA TYR 239 0.0078 8.3027 8.5800
1766 CA SER 240 0.0111 8.9627 9.3200
1772 CA THR 241 0.0150 9.7594 11.0800
1779 CA PHE 242 0.0100 8.7559 9.5000
1790 CA ALA 243 0.0074 8.2398 8.1400
1795 CA CYS 244 0.0087 8.4941 10.2000
1801 CA GLU 245 0.0164 10.0321 11.1900
1810 CA ASN 246 0.0172 10.1979 10.7400
1818 CA PRO 247 0.0297 12.6977 14.3500
1825 CA ASN 248 0.0619 19.1725 12.6800
1833 CA SER 249 0.0505 16.8771 13.1900
1839 CA THR 250 0.0579 18.3597 15.1000
1846 CA ARG 251 0.0207 10.8999 12.1700
1857 CA VAL 252 0.0163 10.0142 11.4600
1864 CA SER 253 0.0177 10.2984 9.4500
1870 CA ASP 254 0.0138 9.5092 10.7400
1878 CA PHE 255 0.0101 8.7776 10.2000
1889 CA ARG 256 0.0105 8.8511 9.5100
1900 CA THR 257 0.0104 8.8234 8.7600
1907 CA ALA 258 0.0139 9.5251 9.1500
1912 CA ASN 259 0.0262 11.9938 9.9800
1920 CA CYS 260 0.0146 9.6815 13.6700
1926 CA SER 261 0.0415 15.0798 23.6200

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.