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* PERIPLASMIC BINDING PROTEIN 25-JUN-97 1ANF *

B-factor analysis for ID 2604251423122313351

Overall B-factor prediction

Correlation= 0.591 for 370 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 LYS 1 0.0215 47.1978 87.4600
7 CA ILE 2 0.0262 53.4880 82.2400
12 CA GLU 3 0.0151 38.6576 72.5200
17 CA GLU 4 0.0250 51.8388 61.4500
22 CA GLY 5 0.0137 36.8226 52.4600
26 CA LYS 6 0.0098 31.5978 47.4100
35 CA LEU 7 0.0049 25.0126 39.1000
43 CA VAL 8 0.0051 25.3271 31.6700
50 CA ILE 9 0.0031 22.6768 28.0700
58 CA TRP 10 0.0034 23.0838 26.1800
72 CA ILE 11 0.0031 22.6622 20.9000
80 CA ASN 12 0.0041 23.9864 21.9300
88 CA GLY 13 0.0057 26.1332 25.5400
92 CA ASP 14 0.0047 24.8095 22.3500
100 CA LYS 15 0.0034 23.0379 21.3300
109 CA GLY 16 0.0039 23.7760 24.4400
113 CA TYR 17 0.0048 24.9233 27.2700
125 CA ASN 18 0.0073 28.2752 29.3700
133 CA GLY 19 0.0052 25.4393 26.0100
137 CA LEU 20 0.0036 23.3269 27.4700
145 CA ALA 21 0.0065 27.2058 33.8500
150 CA GLU 22 0.0069 27.7787 38.6300
159 CA VAL 23 0.0049 25.0364 37.3200
166 CA GLY 24 0.0054 25.7495 39.8600
170 CA LYS 25 0.0117 34.1087 46.4100
179 CA LYS 26 0.0113 33.6655 47.9700
188 CA PHE 27 0.0073 28.2721 47.4700
199 CA GLU 28 0.0101 32.0397 55.2200
208 CA LYS 29 0.0259 53.1095 59.4700
217 CA ASP 30 0.0241 50.7573 58.3700
225 CA THR 31 0.0179 42.3796 53.6300
232 CA GLY 32 0.0229 49.1422 51.9800
236 CA ILE 33 0.0108 32.9107 48.5800
244 CA LYS 34 0.0112 33.5035 45.8900
253 CA VAL 35 0.0060 26.4930 42.3700
260 CA THR 36 0.0068 27.5690 38.6600
267 CA VAL 37 0.0048 24.9762 37.2100
274 CA GLU 38 0.0056 26.0670 37.5400
283 CA HIS 39 0.0060 26.5131 31.1400
293 CA PRO 40 0.0075 28.5385 32.6000
300 CA ASP 41 0.0214 47.1001 38.3100
308 CA LYS 42 0.0123 34.9752 32.7300
317 CA LEU 43 0.0051 25.3448 31.3400
325 CA GLU 44 0.0049 25.0879 33.2400
334 CA GLU 45 0.0096 31.3084 36.9400
343 CA LYS 46 0.0088 30.3166 35.8300
352 CA PHE 47 0.0056 26.0777 32.9300
363 CA PRO 48 0.0073 28.2541 39.2700
370 CA GLN 49 0.0181 42.7109 44.9600
379 CA VAL 50 0.0129 35.8033 43.5900
386 CA ALA 51 0.0080 29.2543 41.4900
391 CA ALA 52 0.0134 36.4275 48.4000
396 CA THR 53 0.0318 61.0332 51.9900
403 CA GLY 54 0.0176 42.0291 52.7900
407 CA ASP 55 0.0112 33.5194 52.4400
415 CA GLY 56 0.0077 28.7763 42.3000
419 CA PRO 57 0.0044 24.4318 32.9000
426 CA ASP 58 0.0039 23.7002 31.9400
434 CA ILE 59 0.0022 21.4949 29.6000
442 CA ILE 60 0.0022 21.5072 24.0200
450 CA PHE 61 0.0017 20.7467 22.3600
461 CA TRP 62 0.0021 21.3142 16.8500
475 CA ALA 63 0.0022 21.4399 14.1900
480 CA HIS 64 0.0020 21.2544 16.3900
490 CA ASP 65 0.0026 21.9694 16.2500
498 CA ARG 66 0.0026 22.0224 17.7700
509 CA PHE 67 0.0026 21.9471 20.6700
520 CA GLY 68 0.0036 23.3571 21.1700
524 CA GLY 69 0.0047 24.7998 19.8400
528 CA TYR 70 0.0040 23.8427 19.8600
540 CA ALA 71 0.0060 26.6049 23.5600
545 CA GLN 72 0.0122 34.7549 29.6900
554 CA SER 73 0.0163 40.2298 30.4400
560 CA GLY 74 0.0150 38.6007 30.0400
564 CA LEU 75 0.0053 25.6643 25.2500
572 CA LEU 76 0.0042 24.2019 30.0700
580 CA ALA 77 0.0055 25.8305 32.9200
585 CA GLU 78 0.0057 26.1067 38.3400
594 CA ILE 79 0.0048 24.9577 39.1400
602 CA THR 80 0.0067 27.5403 52.5700
609 CA PRO 81 0.0081 29.3100 56.0000
616 CA ASP 82 0.0183 43.0050 56.5200
624 CA LYS 83 0.0380 69.2003 54.6000
633 CA ALA 84 0.0324 61.7382 48.6900
638 CA PHE 85 0.0069 27.7309 42.9300
649 CA GLN 86 0.0061 26.7378 40.6700
658 CA ASP 87 0.0116 33.9921 40.7700
666 CA LYS 88 0.0080 29.2774 32.5700
675 CA LEU 89 0.0045 24.5791 30.6800
683 CA TYR 90 0.0057 26.1925 30.9200
695 CA PRO 91 0.0064 27.0615 34.7000
702 CA PHE 92 0.0061 26.7238 30.1300
713 CA THR 93 0.0041 23.9453 25.8300
720 CA TRP 94 0.0040 23.8176 23.1200
734 CA ASP 95 0.0052 25.4925 24.7200
742 CA ALA 96 0.0034 23.0672 22.6800
747 CA VAL 97 0.0032 22.7439 21.6800
754 CA ARG 98 0.0047 24.8365 24.2500
765 CA TYR 99 0.0068 27.6047 26.6700
777 CA ASN 100 0.0187 43.5470 32.4100
785 CA GLY 101 0.0188 43.6121 29.6100
789 CA LYS 102 0.0119 34.4614 32.9400
798 CA LEU 103 0.0042 24.1363 29.9500
806 CA ILE 104 0.0032 22.8412 24.5700
814 CA ALA 105 0.0022 21.5082 20.8900
819 CA TYR 106 0.0019 21.1375 21.0800
831 CA PRO 107 0.0019 21.0747 21.1900
838 CA ILE 108 0.0017 20.8699 19.1100
846 CA ALA 109 0.0021 21.4032 18.1600
851 CA VAL 110 0.0024 21.7077 19.4700
858 CA GLU 111 0.0019 21.1165 18.0500
867 CA ALA 112 0.0021 21.3129 16.2900
872 CA LEU 113 0.0020 21.1904 16.3100
880 CA SER 114 0.0020 21.2654 16.8800
886 CA LEU 115 0.0023 21.6291 18.1600
894 CA ILE 116 0.0023 21.5852 17.8500
902 CA TYR 117 0.0036 23.3325 21.9500
914 CA ASN 118 0.0046 24.6307 25.4400
922 CA LYS 119 0.0085 29.8726 32.4700
931 CA ASP 120 0.0127 35.4812 39.1500
939 CA LEU 121 0.0075 28.5690 36.3400
947 CA LEU 122 0.0067 27.5350 40.8400
955 CA PRO 123 0.0132 36.1275 42.5100
962 CA ASN 124 0.0165 40.5811 39.2800
970 CA PRO 125 0.0049 25.0316 32.5800
977 CA PRO 126 0.0050 25.1864 33.1200
984 CA LYS 127 0.0068 27.6752 30.5900
993 CA THR 128 0.0060 26.4818 26.0500
1000 CA TRP 129 0.0036 23.3688 21.8600
1014 CA GLU 130 0.0059 26.4448 24.2500
1023 CA GLU 131 0.0068 27.6063 28.2600
1032 CA ILE 132 0.0046 24.7390 29.2700
1040 CA PRO 133 0.0070 27.8278 31.0700
1047 CA ALA 134 0.0109 33.0616 33.7200
1052 CA LEU 135 0.0075 28.5575 34.9300
1060 CA ASP 136 0.0068 27.6111 32.7700
1068 CA LYS 137 0.0159 39.7164 37.3000
1077 CA GLU 138 0.0177 42.1176 38.4900
1086 CA LEU 139 0.0102 32.1995 31.4600
1094 CA LYS 140 0.0132 36.0873 32.8400
1103 CA ALA 141 0.0412 73.4899 37.2800
1108 CA LYS 142 0.0341 64.0314 39.7200
1117 CA GLY 143 0.0264 53.7858 33.4800
1121 CA LYS 144 0.0122 34.7823 35.1600
1130 CA SER 145 0.0058 26.3240 28.6500
1136 CA ALA 146 0.0043 24.3442 19.8600
1141 CA LEU 147 0.0027 22.0849 21.3700
1149 CA MET 148 0.0029 22.3825 20.1700
1157 CA PHE 149 0.0024 21.7284 19.6800
1168 CA ASN 150 0.0030 22.5580 20.0300
1176 CA LEU 151 0.0034 23.0870 21.4800
1184 CA GLN 152 0.0047 24.7856 18.1500
1193 CA GLU 153 0.0030 22.5442 18.9400
1202 CA PRO 154 0.0026 22.0600 17.6600
1209 CA TYR 155 0.0020 21.2749 17.5200
1221 CA PHE 156 0.0019 21.0223 18.7400
1232 CA THR 157 0.0019 21.1154 19.1300
1239 CA TRP 158 0.0018 20.9097 13.9600
1253 CA PRO 159 0.0022 21.4853 15.3500
1260 CA LEU 160 0.0021 21.3564 17.6400
1268 CA ILE 161 0.0023 21.6640 19.0600
1276 CA ALA 162 0.0028 22.2796 15.3600
1281 CA ALA 163 0.0039 23.7042 14.9700
1286 CA ASP 164 0.0053 25.6078 20.5300
1294 CA GLY 165 0.0050 25.2052 20.6800
1298 CA GLY 166 0.0038 23.5508 18.9100
1302 CA TYR 167 0.0040 23.8822 18.4800
1314 CA ALA 168 0.0032 22.7477 17.5500
1319 CA PHE 169 0.0051 25.3263 18.1800
1330 CA LYS 170 0.0088 30.3058 19.5200
1339 CA TYR 171 0.0174 41.7257 34.7700
1351 CA GLU 172 0.0297 58.2184 44.8400
1360 CA ASN 173 0.0777 122.2182 56.2000
1368 CA GLY 174 0.0824 128.4574 51.0800
1372 CA LYS 175 0.0212 46.8338 39.5700
1381 CA TYR 176 0.0103 32.2704 27.3100
1393 CA ASP 177 0.0111 33.3193 21.7200
1401 CA ILE 178 0.0087 30.1695 21.0100
1409 CA LYS 179 0.0151 38.6782 20.3500
1418 CA ASP 180 0.0106 32.7471 18.2800
1426 CA VAL 181 0.0050 25.2398 19.4200
1433 CA GLY 182 0.0049 25.1125 17.4700
1437 CA VAL 183 0.0037 23.4427 19.0500
1444 CA ASP 184 0.0049 25.0919 21.6100
1452 CA ASN 185 0.0066 27.3459 18.1300
1460 CA ALA 186 0.0077 28.7526 19.3700
1465 CA GLY 187 0.0052 25.5350 18.4000
1469 CA ALA 188 0.0038 23.6406 16.0400
1474 CA LYS 189 0.0050 25.1857 20.4800
1483 CA ALA 190 0.0054 25.7326 19.7100
1488 CA GLY 191 0.0036 23.3425 18.0600
1492 CA LEU 192 0.0033 22.9550 20.2100
1500 CA THR 193 0.0053 25.6304 22.7300
1507 CA PHE 194 0.0044 24.4374 22.4200
1518 CA LEU 195 0.0036 23.3975 22.6000
1526 CA VAL 196 0.0047 24.8117 24.7100
1533 CA ASP 197 0.0078 28.9191 27.7400
1541 CA LEU 198 0.0053 25.6118 28.8600
1549 CA ILE 199 0.0067 27.5395 30.0200
1557 CA LYS 200 0.0105 32.5640 37.4800
1566 CA ASN 201 0.0154 39.0320 34.8400
1574 CA LYS 202 0.0140 37.2794 36.8700
1583 CA HIS 203 0.0060 26.4870 32.4600
1593 CA MET 204 0.0053 25.6462 32.7200
1601 CA ASN 205 0.0068 27.5903 33.2500
1609 CA ALA 206 0.0064 27.1215 25.4600
1614 CA ASP 207 0.0115 33.8410 28.5400
1622 CA THR 208 0.0063 26.9143 24.0400
1629 CA ASP 209 0.0058 26.3335 23.1300
1637 CA TYR 210 0.0046 24.6221 23.6200
1649 CA SER 211 0.0125 35.2246 26.7600
1655 CA ILE 212 0.0097 31.4759 25.1000
1663 CA ALA 213 0.0045 24.5278 23.8300
1668 CA GLU 214 0.0043 24.2744 23.4500
1677 CA ALA 215 0.0081 29.4062 27.5900
1682 CA ALA 216 0.0066 27.3095 27.6900
1687 CA PHE 217 0.0046 24.6451 22.5500
1698 CA ASN 218 0.0059 26.4779 26.2100
1706 CA LYS 219 0.0130 35.8432 32.0100
1715 CA GLY 220 0.0083 29.6656 27.1100
1719 CA GLU 221 0.0092 30.8110 29.3700
1728 CA THR 222 0.0050 25.1513 24.3300
1735 CA ALA 223 0.0036 23.3986 21.9100
1740 CA MET 224 0.0028 22.2846 19.7000
1748 CA THR 225 0.0019 21.1180 17.6100
1755 CA ILE 226 0.0018 20.9345 15.9300
1763 CA ASN 227 0.0021 21.3104 15.2900
1771 CA GLY 228 0.0025 21.8251 16.2500
1775 CA PRO 229 0.0027 22.0787 17.8100
1782 CA TRP 230 0.0028 22.3353 16.8500
1796 CA ALA 231 0.0036 23.3048 18.8300
1801 CA TRP 232 0.0035 23.1509 21.0700
1815 CA SER 233 0.0056 26.0452 28.3700
1821 CA ASN 234 0.0063 26.9374 27.4500
1829 CA ILE 235 0.0059 26.4768 23.5600
1837 CA ASP 236 0.0087 30.1578 28.4400
1845 CA THR 237 0.0259 53.1264 34.1800
1852 CA SER 238 0.0152 38.8868 34.8300
1858 CA LYS 239 0.0168 40.9999 42.0500
1867 CA VAL 240 0.0094 31.0641 36.5700
1874 CA ASN 241 0.0089 30.3894 32.9400
1882 CA TYR 242 0.0052 25.4638 25.4500
1894 CA GLY 243 0.0038 23.6480 20.0200
1898 CA VAL 244 0.0032 22.8121 21.2300
1905 CA THR 245 0.0034 23.1356 21.2200
1912 CA VAL 246 0.0033 22.9484 23.3800
1919 CA LEU 247 0.0026 22.0334 20.1700
1927 CA PRO 248 0.0031 22.6106 22.8500
1934 CA THR 249 0.0047 24.8160 19.8700
1941 CA PHE 250 0.0041 23.9583 21.3700
1952 CA LYS 251 0.0099 31.6997 25.4400
1961 CA GLY 252 0.0131 35.9768 22.2800
1965 CA GLN 253 0.0074 28.3911 20.4600
1974 CA PRO 254 0.0052 25.5372 19.8100
1981 CA SER 255 0.0028 22.2549 18.5500
1987 CA LYS 256 0.0030 22.6014 20.7100
1996 CA PRO 257 0.0021 21.3003 20.4200
2003 CA PHE 258 0.0021 21.3484 17.7300
2014 CA VAL 259 0.0023 21.6238 15.3800
2021 CA GLY 260 0.0023 21.5985 15.4100
2025 CA VAL 261 0.0020 21.1681 16.1500
2032 CA LEU 262 0.0018 20.8933 17.6300
2040 CA SER 263 0.0016 20.7348 20.1400
2046 CA ALA 264 0.0015 20.5841 18.0600
2051 CA GLY 265 0.0023 21.5745 21.3800
2055 CA ILE 266 0.0027 22.1176 24.7300
2063 CA ASN 267 0.0045 24.5793 30.6500
2071 CA ALA 268 0.0064 27.1043 40.8400
2076 CA ALA 269 0.0085 29.8756 43.8200
2081 CA SER 270 0.0071 28.0348 42.9100
2086 CA PRO 271 0.0107 32.8553 44.9300
2093 CA ASN 272 0.0076 28.6292 42.9300
2101 CA LYS 273 0.0059 26.3802 42.0600
2110 CA GLU 274 0.0085 29.8446 42.6200
2119 CA LEU 275 0.0056 25.9919 39.5000
2127 CA ALA 276 0.0036 23.3893 36.9800
2132 CA LYS 277 0.0041 24.0557 37.9100
2141 CA GLU 278 0.0050 25.2630 42.3900
2150 CA PHE 279 0.0029 22.4046 37.8100
2161 CA LEU 280 0.0025 21.8703 33.0600
2169 CA GLU 281 0.0038 23.5721 36.8300
2178 CA ASN 282 0.0046 24.7159 37.1800
2186 CA TYR 283 0.0041 23.9557 35.4000
2198 CA LEU 284 0.0031 22.6550 29.5000
2206 CA LEU 285 0.0030 22.4785 28.5700
2214 CA THR 286 0.0041 23.9739 33.0000
2221 CA ASP 287 0.0059 26.4182 29.6300
2229 CA GLU 288 0.0073 28.2596 29.9800
2238 CA GLY 289 0.0041 23.9500 25.6800
2242 CA LEU 290 0.0035 23.2018 25.6400
2250 CA GLU 291 0.0060 26.5295 30.3400
2259 CA ALA 292 0.0060 26.5654 24.7100
2264 CA VAL 293 0.0038 23.6766 24.3800
2271 CA ASN 294 0.0040 23.8408 26.7200
2279 CA LYS 295 0.0075 28.5927 32.6900
2288 CA ASP 296 0.0060 26.5127 26.5900
2296 CA LYS 297 0.0036 23.3913 21.4200
2305 CA PRO 298 0.0037 23.4602 19.5400
2312 CA LEU 299 0.0025 21.8874 20.1100
2320 CA GLY 300 0.0027 22.1937 18.4000
2324 CA ALA 301 0.0031 22.7153 22.7500
2329 CA VAL 302 0.0031 22.6342 22.5100
2336 CA ALA 303 0.0036 23.3002 25.6000
2341 CA LEU 304 0.0037 23.4246 27.7200
2349 CA LYS 305 0.0067 27.4564 28.4700
2358 CA SER 306 0.0076 28.6385 29.4800
2364 CA TYR 307 0.0053 25.6680 30.9100
2376 CA GLU 308 0.0051 25.3672 28.6400
2385 CA GLU 309 0.0144 37.7342 37.4400
2394 CA GLU 310 0.0122 34.8084 41.7400
2403 CA LEU 311 0.0060 26.5031 39.0000
2411 CA ALA 312 0.0076 28.6241 44.7700
2416 CA LYS 313 0.0199 45.1434 42.9200
2425 CA ASP 314 0.0113 33.6809 33.2400
2433 CA PRO 315 0.0069 27.8120 26.0300
2440 CA ARG 316 0.0044 24.4428 22.4600
2451 CA ILE 317 0.0041 23.9682 24.7200
2459 CA ALA 318 0.0054 25.6868 23.3600
2464 CA ALA 319 0.0037 23.5211 20.4700
2469 CA THR 320 0.0031 22.6388 21.4000
2476 CA MET 321 0.0042 24.1359 24.1100
2484 CA GLU 322 0.0046 24.7167 23.2900
2493 CA ASN 323 0.0029 22.3602 17.9800
2501 CA ALA 324 0.0034 23.0406 17.2800
2506 CA GLN 325 0.0078 28.9386 25.6100
2515 CA LYS 326 0.0054 25.7922 19.2700
2524 CA GLY 327 0.0032 22.7680 20.1000
2528 CA GLU 328 0.0031 22.6735 23.6000
2537 CA ILE 329 0.0025 21.9297 22.8100
2545 CA MET 330 0.0024 21.7190 16.7000
2553 CA PRO 331 0.0028 22.3133 18.3200
2560 CA ASN 332 0.0029 22.3711 17.8300
2568 CA ILE 333 0.0043 24.2258 19.4500
2576 CA PRO 334 0.0048 24.9609 19.3200
2583 CA GLN 335 0.0045 24.5187 20.5500
2592 CA MET 336 0.0034 23.1178 20.9000
2600 CA SER 337 0.0044 24.3776 26.3800
2606 CA ALA 338 0.0046 24.6415 23.2400
2611 CA PHE 339 0.0030 22.5279 18.2700
2622 CA TRP 340 0.0030 22.5596 19.8000
2636 CA TYR 341 0.0063 26.9386 25.1900
2648 CA ALA 342 0.0049 25.0283 16.6600
2653 CA VAL 343 0.0030 22.5448 17.3100
2660 CA ARG 344 0.0037 23.4207 21.0400
2671 CA THR 345 0.0064 27.0864 20.5900
2678 CA ALA 346 0.0051 25.3424 20.7100
2683 CA VAL 347 0.0039 23.7551 22.0000
2690 CA ILE 348 0.0054 25.7953 25.2300
2698 CA ASN 349 0.0080 29.2188 25.4900
2706 CA ALA 350 0.0065 27.2339 22.8700
2711 CA ALA 351 0.0061 26.6413 26.9900
2716 CA SER 352 0.0105 32.5875 30.4000
2722 CA GLY 353 0.0222 48.2219 29.0400
2726 CA ARG 354 0.0228 49.0117 33.2900
2737 CA GLN 355 0.0117 34.1204 28.3200
2746 CA THR 356 0.0118 34.2258 26.1200
2753 CA VAL 357 0.0067 27.4436 24.6200
2760 CA ASP 358 0.0086 29.9497 27.1800
2768 CA GLU 359 0.0129 35.7094 25.8600
2777 CA ALA 360 0.0069 27.7229 19.5500
2782 CA LEU 361 0.0051 25.3756 18.3900
2790 CA LYS 362 0.0084 29.8055 23.4400
2799 CA ASP 363 0.0086 29.9599 23.7000
2807 CA ALA 364 0.0057 26.1696 20.1300
2812 CA GLN 365 0.0063 26.9535 23.1300
2821 CA THR 366 0.0100 31.8729 24.7100
2828 CA ARG 367 0.0079 29.0376 24.4400
2839 CA ILE 368 0.0059 26.4779 26.0500
2847 CA THR 369 0.0161 40.0461 32.7500
2854 CA LYS 370 0.0357 66.2355 44.7800

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.