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

* HYDROLASE 05-OCT-21 7PW1 *

B-factor analysis for ID 2402100940482257236

Overall B-factor prediction

Correlation= 0.708 for 303 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 GLY 5 0.0427 30.9301 29.3900
6 CA ALA 6 0.0259 23.7757 21.4100
11 CA GLU 7 0.0430 31.0287 20.0800
20 CA PRO 8 0.0251 23.4396 17.6900
27 CA TYR 9 0.0134 18.4816 16.5700
39 CA GLY 10 0.0147 19.0267 27.0300
43 CA GLN 11 0.0248 23.3275 24.7200
52 CA LYS 12 0.0118 17.8184 17.0200
62 CA LYS 13 0.0123 18.0404 14.7100
63 CA LYS 13 0.0123 18.0352 16.1000
79 CA PHE 14 0.0111 17.5396 16.9600
90 CA ILE 15 0.0118 17.8324 18.5300
99 CA GLU 16 0.0150 19.1723 18.9200
100 CA GLU 16 0.0149 19.1521 18.7800
116 CA ILE 17 0.0137 18.6272 16.3800
124 CA ALA 18 0.0277 24.5390 20.7200
129 CA GLY 19 0.0278 24.6162 20.1300
133 CA LYS 20 0.0130 18.3198 17.6300
143 CA ARG 21 0.0099 17.0324 15.8600
144 CA ARG 21 0.0098 16.9697 13.9700
165 CA MET 22 0.0065 15.5630 16.6800
166 CA MET 22 0.0065 15.5725 13.0800
180 CA ALA 23 0.0066 15.6028 13.2800
185 CA TYR 24 0.0068 15.6815 12.9200
197 CA ILE 25 0.0071 15.8260 15.2000
205 CA ASP 26 0.0085 16.4039 16.9900
213 CA GLU 27 0.0122 17.9776 19.9000
222 CA GLY 28 0.0190 20.8627 23.2700
226 CA GLU 29 0.0483 33.2781 29.0000
235 CA GLY 30 0.0377 28.7859 25.6400
239 CA ASP 31 0.0137 18.6284 18.4600
247 CA PRO 32 0.0095 16.8437 16.4100
254 CA ILE 33 0.0050 14.9466 14.3100
262 CA VAL 34 0.0045 14.7236 13.5400
269 CA PHE 35 0.0029 14.0242 13.5100
280 CA GLN 36 0.0028 14.0197 13.4800
289 CA HIS 37 0.0028 14.0160 12.9500
299 CA GLY 38 0.0029 14.0252 14.3800
303 CA ASN 39 0.0036 14.3502 13.9600
311 CA PRO 40 0.0037 14.3739 13.6700
318 CA THR 41 0.0033 14.2024 14.4200
325 CA SER 42 0.0036 14.3345 13.3400
331 CA SER 43 0.0050 14.9133 12.6000
337 CA TYR 44 0.0051 14.9670 13.4200
349 CA LEU 45 0.0039 14.4806 13.3700
357 CA TRP 46 0.0038 14.4305 14.6200
371 CA ARG 47 0.0077 16.0589 13.8600
382 CA ASN 48 0.0083 16.3139 14.7200
390 CA ILE 49 0.0064 15.5094 15.9100
398 CA MET 50 0.0063 15.4959 14.8600
406 CA PRO 51 0.0123 18.0162 17.3200
413 CA HIS 52 0.0114 17.6498 17.6000
423 CA LEU 53 0.0103 17.2014 16.4900
431 CA GLU 54 0.0179 20.4102 19.0000
440 CA GLY 55 0.0252 23.5049 20.2300
444 CA LEU 56 0.0163 19.7103 17.3100
452 CA GLY 57 0.0128 18.2541 17.6500
456 CA ARG 58 0.0099 17.0003 16.3800
467 CA LEU 59 0.0062 15.4270 15.5800
475 CA ILE 60 0.0058 15.2767 14.3300
483 CA ALA 61 0.0036 14.3530 13.1800
488 CA CYS 62 0.0034 14.2514 12.9200
494 CA ASP 63 0.0038 14.4075 12.8500
502 CA LEU 64 0.0034 14.2762 13.1900
510 CA ILE 65 0.0048 14.8573 14.1000
518 CA GLY 66 0.0051 14.9710 15.4200
522 CA MET 67 0.0041 14.5373 12.7600
530 CA GLY 68 0.0050 14.9542 14.2800
534 CA ASP 69 0.0081 16.2502 15.2700
542 CA SER 70 0.0066 15.6289 12.8200
548 CA ASP 71 0.0076 16.0519 14.7900
556 CA LYS 72 0.0078 16.1193 15.8800
565 CA LEU 73 0.0160 19.5898 16.4400
574 CA SER 74 0.0372 28.5763 24.8300
575 CA SER 74 0.0369 28.4701 25.1200
585 CA PRO 75 0.0532 35.3643 24.5400
592 CA SER 76 0.0174 20.2077 21.9600
598 CA GLY 77 0.0198 21.2151 21.1600
602 CA PRO 78 0.0230 22.5779 21.9800
609 CA ASP 79 0.0405 29.9833 22.2700
617 CA ARG 80 0.0160 19.6153 19.1400
628 CA TYR 81 0.0061 15.3923 15.7700
640 CA SER 82 0.0086 16.4530 15.7400
646 CA TYR 83 0.0063 15.4964 15.8600
658 CA ALA 84 0.0074 15.9517 16.9800
663 CA GLU 85 0.0073 15.8901 14.7000
672 CA HIS 86 0.0056 15.1741 13.9200
683 CA ARG 87 0.0068 15.7115 12.8800
684 CA ARG 87 0.0069 15.7197 14.6100
704 CA ASP 88 0.0097 16.9135 15.9800
712 CA TYR 89 0.0058 15.2525 15.2200
724 CA LEU 90 0.0054 15.0844 14.3600
732 CA PHE 91 0.0066 15.6325 13.4800
743 CA ALA 92 0.0093 16.7548 14.4300
748 CA LEU 93 0.0069 15.7440 15.5000
756 CA TRP 94 0.0061 15.4097 14.2600
770 CA GLU 95 0.0215 21.9495 15.5300
779 CA ALA 96 0.0246 23.2302 14.8700
784 CA LEU 97 0.0139 18.7182 15.4900
792 CA ASP 98 0.0295 25.3266 18.6000
800 CA LEU 99 0.0120 17.8843 16.3200
808 CA GLY 100 0.0165 19.8257 18.5900
812 CA ASP 101 0.0193 20.9876 20.8300
820 CA ASN 102 0.0140 18.7672 19.7200
828 CA VAL 103 0.0068 15.6863 16.8800
835 CA VAL 104 0.0061 15.3956 14.1400
842 CA LEU 105 0.0033 14.1955 13.4900
850 CA VAL 106 0.0033 14.2066 13.8700
857 CA ILE 107 0.0027 13.9637 12.4800
865 CA HIS 108 0.0027 13.9474 15.9100
875 CA ASP 109 0.0033 14.2193 18.5100
883 CA TRP 110 0.0028 14.0084 13.5900
897 CA GLY 111 0.0030 14.0790 14.5800
901 CA SER 112 0.0031 14.1231 13.9000
907 CA ALA 113 0.0039 14.4837 15.3900
912 CA LEU 114 0.0038 14.4156 13.8500
920 CA GLY 115 0.0043 14.6549 14.8300
924 CA PHE 116 0.0037 14.3817 14.4800
935 CA ASP 117 0.0064 15.5095 13.8000
943 CA TRP 118 0.0056 15.1769 13.9100
957 CA ALA 119 0.0072 15.8772 15.1700
962 CA ASN 120 0.0081 16.2293 15.5200
970 CA GLN 121 0.0117 17.7607 16.9100
979 CA HIS 122 0.0127 18.2149 16.3200
989 CA ARG 123 0.0135 18.5305 18.0400
1000 CA ASP 124 0.0296 25.3659 21.2700
1008 CA ARG 125 0.0112 17.5490 16.8200
1019 CA VAL 126 0.0092 16.7193 17.2600
1026 CA GLN 127 0.0093 16.7685 16.1400
1035 CA GLY 128 0.0086 16.4610 16.2300
1039 CA ILE 129 0.0042 14.6150 13.5800
1047 CA ALA 130 0.0042 14.6129 13.5300
1052 CA TYR 131 0.0034 14.2379 13.2500
1064 CA MET 132 0.0032 14.1870 14.2500
1072 CA GLU 133 0.0039 14.4539 14.6100
1081 CA ALA 134 0.0038 14.4125 14.8200
1086 CA ILE 135 0.0039 14.4576 17.1400
1094 CA VAL 136 0.0044 14.6801 16.8400
1101 CA THR 137 0.0090 16.6275 19.8100
1108 CA PRO 138 0.0104 17.2166 19.7300
1115 CA LEU 139 0.0110 17.4906 24.4900
1123 CA GLU 140 0.0144 18.9246 27.7700
1132 CA TRP 141 0.0148 19.1002 28.0400
1146 CA ALA 142 0.0223 22.2603 40.3400
1151 CA ASP 143 0.0133 18.4505 29.6600
1159 CA TRP 144 0.0122 17.9971 32.6600
1173 CA PRO 145 0.0278 24.5945 31.3200
1180 CA GLU 146 0.0390 29.3542 35.2300
1189 CA GLU 147 0.0439 31.4362 36.1300
1198 CA VAL 148 0.0246 23.2602 26.2500
1205 CA ARG 149 0.0171 20.0488 24.7600
1216 CA ASP 150 0.0290 25.1317 27.2500
1224 CA ILE 151 0.0150 19.1614 23.5900
1232 CA PHE 152 0.0110 17.4694 23.5300
1243 CA GLN 153 0.0149 19.1462 25.3800
1252 CA GLY 154 0.0177 20.3304 23.2300
1256 CA PHE 155 0.0087 16.4834 21.5400
1267 CA ARG 156 0.0103 17.1609 21.1300
1278 CA SER 157 0.0460 32.3052 25.5200
1284 CA PRO 158 0.0571 37.0173 25.0100
1291 CA ALA 159 0.0313 26.0746 24.8600
1296 CA GLY 160 0.0139 18.7198 23.6300
1300 CA GLU 161 0.0151 19.1983 20.0900
1309 CA GLU 162 0.0229 22.5138 20.7400
1318 CA MET 163 0.0117 17.7805 20.0500
1326 CA VAL 164 0.0089 16.5742 18.8500
1333 CA LEU 165 0.0116 17.7475 19.7800
1341 CA GLU 166 0.0212 21.7936 21.9900
1342 CA GLU 166 0.0212 21.8028 22.1600
1356 CA ASN 167 0.0171 20.0603 22.2800
1364 CA ASN 168 0.0105 17.2658 20.7600
1372 CA ILE 169 0.0093 16.7648 21.9200
1380 CA PHE 170 0.0065 15.5882 17.9900
1391 CA VAL 171 0.0080 16.2035 17.6900
1398 CA GLU 172 0.0115 17.6821 21.1600
1407 CA ARG 173 0.0170 20.0188 20.5200
1418 CA VAL 174 0.0118 17.7986 17.4900
1425 CA LEU 175 0.0095 16.8288 17.2800
1433 CA PRO 176 0.0131 18.3839 20.1100
1440 CA GLY 177 0.0226 22.3821 19.3900
1444 CA ALA 178 0.0139 18.6930 17.9200
1449 CA ILE 179 0.0109 17.4250 17.4600
1457 CA LEU 180 0.0160 19.6105 19.0100
1465 CA ARG 181 0.0305 25.7260 20.0700
1476 CA GLN 182 0.0362 28.1457 23.0600
1485 CA LEU 183 0.0211 21.7655 19.9200
1493 CA SER 184 0.0290 25.1155 22.1200
1499 CA ASP 185 0.0562 36.6495 25.0900
1507 CA GLU 186 0.0387 29.2405 25.7700
1516 CA GLU 187 0.0123 18.0389 19.7300
1525 CA MET 188 0.0127 18.2186 19.8800
1533 CA ALA 189 0.0170 20.0290 18.7100
1538 CA GLU 190 0.0117 17.7618 17.5800
1547 CA TYR 191 0.0067 15.6537 17.5400
1559 CA ARG 192 0.0096 16.8996 18.9100
1570 CA ARG 193 0.0121 17.9508 19.1100
1581 CA PRO 194 0.0104 17.2296 18.0600
1588 CA PHE 195 0.0094 16.8074 18.8300
1599 CA LEU 196 0.0185 20.6515 21.3800
1607 CA ASN 197 0.0289 25.0694 23.6900
1615 CA ALA 198 0.0205 21.4959 23.7500
1620 CA GLY 199 0.0157 19.4871 20.7400
1624 CA GLU 200 0.0127 18.1950 19.8500
1633 CA ASP 201 0.0110 17.4644 18.5500
1641 CA ARG 202 0.0076 16.0559 17.7900
1652 CA ARG 203 0.0062 15.4410 15.1000
1663 CA PRO 204 0.0051 14.9815 17.2000
1670 CA THR 205 0.0047 14.8211 15.0700
1677 CA LEU 206 0.0050 14.9253 17.8300
1685 CA SER 207 0.0044 14.6669 15.4300
1691 CA TRP 208 0.0040 14.5045 14.5300
1705 CA PRO 209 0.0060 15.3417 15.9300
1712 CA ARG 210 0.0069 15.7567 17.9000
1723 CA GLN 211 0.0056 15.1838 17.1500
1732 CA ILE 212 0.0064 15.5296 17.5100
1740 CA PRO 213 0.0087 16.5216 20.0600
1747 CA ILE 214 0.0104 17.2149 24.1700
1755 CA ASP 215 0.0231 22.5931 28.8100
1763 CA GLY 216 0.0285 24.8849 27.6100
1767 CA GLU 217 0.0251 23.4428 25.5800
1776 CA PRO 218 0.0214 21.8707 24.5000
1783 CA ALA 219 0.0263 23.9660 23.5100
1788 CA ASP 220 0.0234 22.7491 24.3600
1796 CA VAL 221 0.0109 17.4305 20.8600
1803 CA VAL 222 0.0111 17.5137 21.8800
1810 CA ALA 223 0.0148 19.0720 22.0000
1815 CA ILE 224 0.0105 17.2504 19.3100
1823 CA VAL 225 0.0080 16.1978 18.4400
1830 CA SER 226 0.0117 17.7915 19.7300
1831 CA SER 226 0.0117 17.7728 20.4300
1839 CA ASP 227 0.0106 17.3137 19.9800
1847 CA TYR 228 0.0071 15.8261 18.4900
1859 CA ALA 229 0.0088 16.5258 19.1600
1865 CA SER 230 0.0133 18.4339 22.0500
1866 CA SER 230 0.0133 18.4335 21.4000
1876 CA TRP 231 0.0104 17.2440 18.4600
1890 CA LEU 232 0.0084 16.3638 18.6600
1898 CA ALA 233 0.0166 19.8696 19.7400
1903 CA GLU 234 0.0252 23.4879 23.5500
1912 CA SER 235 0.0179 20.3877 20.7500
1918 CA ASP 236 0.0266 24.1083 21.9400
1926 CA ILE 237 0.0116 17.7173 18.4200
1934 CA PRO 238 0.0102 17.1598 17.1000
1941 CA LYS 239 0.0064 15.5191 14.2700
1950 CA LEU 240 0.0064 15.5117 14.8500
1958 CA PHE 241 0.0062 15.4491 14.3000
1969 CA ILE 242 0.0061 15.4198 15.0000
1977 CA ASN 243 0.0090 16.6182 14.9800
1985 CA ALA 244 0.0087 16.5068 17.9400
1991 CA GLU 245 0.0160 19.5838 18.0800
1992 CA GLU 245 0.0160 19.5817 18.8500
2008 CA PRO 246 0.0211 21.7430 20.4000
2015 CA GLY 247 0.0093 16.7750 18.7800
2019 CA ALA 248 0.0101 17.1142 18.3400
2024 CA ILE 249 0.0066 15.6196 18.6600
2032 CA VAL 250 0.0066 15.6097 16.7200
2039 CA THR 251 0.0125 18.1300 18.3200
2046 CA GLY 252 0.0166 19.8705 21.2200
2050 CA ARG 253 0.0173 20.1327 22.3800
2051 CA ARG 253 0.0173 20.1325 22.0600
2069 CA MET 254 0.0107 17.3318 21.3600
2077 CA ARG 255 0.0103 17.1841 16.8900
2088 CA ASP 256 0.0139 18.7089 19.7500
2096 CA PHE 257 0.0098 16.9741 17.9600
2107 CA CYS 258 0.0079 16.1671 24.1400
2113 CA ARG 259 0.0103 17.1879 23.7200
2124 CA SER 260 0.0150 19.1738 26.2900
2130 CA TRP 261 0.0096 16.8880 20.6900
2144 CA PRO 262 0.0130 18.3268 20.2400
2151 CA ASN 263 0.0152 19.2715 18.2600
2159 CA GLN 264 0.0111 17.5409 17.4100
2168 CA THR 265 0.0111 17.5149 20.3000
2175 CA GLU 266 0.0100 17.0677 18.8600
2184 CA ILE 267 0.0125 18.1144 16.0400
2192 CA THR 268 0.0120 17.8822 16.1100
2199 CA VAL 269 0.0148 19.0805 15.6100
2206 CA LYS 270 0.0162 19.6943 15.6100
2215 CA GLY 271 0.0101 17.1018 16.5900
2219 CA ALA 272 0.0099 16.9927 17.5600
2224 CA HIS 273 0.0054 15.0840 15.9300
2234 CA PHE 274 0.0051 14.9728 14.5000
2245 CA ILE 275 0.0049 14.9059 14.3000
2253 CA GLN 276 0.0049 14.9101 15.2500
2262 CA GLU 277 0.0072 15.8602 15.4700
2271 CA ASP 278 0.0094 16.7835 15.2200
2279 CA SER 279 0.0101 17.1008 14.6200
2285 CA PRO 280 0.0105 17.2612 14.9900
2292 CA ASP 281 0.0179 20.4123 15.3900
2300 CA GLU 282 0.0155 19.3942 14.7600
2309 CA ILE 283 0.0083 16.3302 13.7600
2317 CA GLY 284 0.0096 16.9035 14.8900
2321 CA ALA 285 0.0133 18.4663 13.8300
2326 CA ALA 286 0.0137 18.6066 15.3400
2331 CA ILE 287 0.0086 16.4471 14.4500
2339 CA ALA 288 0.0115 17.6927 15.1200
2344 CA GLU 289 0.0185 20.6529 16.9000
2353 CA PHE 290 0.0108 17.4049 15.4300
2364 CA VAL 291 0.0122 17.9963 15.7600
2371 CA ARG 292 0.0211 21.7618 17.3100
2382 CA ARG 293 0.0210 21.7351 19.2100
2393 CA LEU 294 0.0207 21.5942 18.8700
2401 CA ARG 295 0.0362 28.1551 19.7700
2412 CA VAL 296 0.0887 50.4281 37.7500

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 25th, 2023.

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