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

* COMBINED3397 *

B-factor analysis for ID 2401190826411828475

Overall B-factor prediction

Correlation= -0.683 for 297 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 ALA 24 0.0708 204.7097 118.8100
14 CA SER 25 0.0384 150.8683 122.4400
25 CA LEU 26 0.0149 111.8784 128.1200
44 CA TYR 27 0.0146 111.3938 127.8500
65 CA SER 28 0.0188 118.3011 127.7300
76 CA LEU 29 0.0136 109.6997 126.1500
95 CA MET 30 0.0057 96.5913 124.7700
112 CA VAL 31 0.0073 99.1316 124.3000
128 CA LEU 32 0.0085 101.2643 123.4100
147 CA ILE 33 0.0051 95.5000 120.5700
166 CA ILE 34 0.0041 93.8530 120.1700
185 CA LEU 35 0.0065 97.7948 121.7300
204 CA THR 36 0.0055 96.2833 119.7100
218 CA THR 37 0.0037 93.2124 115.5400
232 CA LEU 38 0.0043 94.1901 118.0600
251 CA VAL 39 0.0064 97.6536 118.5200
267 CA GLY 40 0.0045 94.6066 114.0800
274 CA ASN 41 0.0034 92.6711 113.2700
288 CA LEU 42 0.0048 94.9765 115.1800
307 CA ILE 43 0.0054 96.0575 114.2300
326 CA VAL 44 0.0035 92.8453 110.7000
342 CA ILE 45 0.0037 93.2138 110.7500
361 CA VAL 46 0.0062 97.3037 113.0400
377 CA SER 47 0.0053 95.9074 111.2200
388 CA ILE 48 0.0048 95.0754 106.9400
407 CA SER 49 0.0071 98.9206 107.5700
418 CA HIS 50 0.0120 107.0002 111.6300
435 CA PHE 51 0.0096 102.9783 107.9800
455 CA LYS 52 0.0164 114.3777 104.9600
477 CA GLN 53 0.0133 109.1780 105.4800
494 CA LEU 54 0.0059 96.8011 105.9300
513 CA HIS 55 0.0057 96.5985 103.3400
530 CA THR 56 0.0052 95.6718 97.0700
544 CA PRO 57 0.0045 94.5298 90.4400
558 CA THR 58 0.0035 92.9204 93.6000
572 CA ASN 59 0.0035 92.8666 100.7300
586 CA TRP 60 0.0035 92.8453 95.1300
610 CA LEU 61 0.0029 91.9139 95.4600
629 CA ILE 62 0.0028 91.6842 99.7200
648 CA HIS 63 0.0029 91.8654 101.2200
665 CA SER 64 0.0026 91.4510 100.6700
676 CA MET 65 0.0024 91.0076 102.5300
693 CA ALA 66 0.0026 91.3868 106.4700
703 CA THR 67 0.0027 91.4680 107.4200
717 CA VAL 68 0.0023 90.8161 106.6000
733 CA ASP 69 0.0022 90.7627 108.8000
745 CA PHE 70 0.0028 91.6839 112.1100
765 CA LEU 71 0.0028 91.7175 112.0700
784 CA LEU 72 0.0023 90.8019 113.2900
803 CA GLY 73 0.0026 91.3510 115.6700
810 CA CYS 74 0.0035 92.8433 115.3600
821 CA LEU 75 0.0035 92.9097 114.4500
840 CA VAL 76 0.0025 91.2980 114.8600
856 CA MET 77 0.0025 91.2989 116.3300
873 CA PRO 78 0.0039 93.5808 118.5500
887 CA TYR 79 0.0036 93.1145 120.5800
908 CA SER 80 0.0031 92.1995 120.3800
919 CA MET 81 0.0039 93.4621 120.8400
936 CA VAL 82 0.0054 96.0221 122.4800
952 CA ARG 83 0.0044 94.4527 123.3500
976 CA SER 84 0.0049 95.1396 123.1400
987 CA ALA 85 0.0077 99.9363 127.0900
997 CA GLU 86 0.0110 105.4011 124.5800
1012 CA HIS 87 0.0104 104.3929 124.3500
1029 CA CYS 88 0.0115 106.1593 124.2000
1040 CA TRP 89 0.0081 100.4793 123.4800
1064 CA TYR 90 0.0146 111.3989 124.6700
1085 CA PHE 91 0.0113 105.8363 123.1800
1105 CA GLY 92 0.0104 104.2673 123.2600
1112 CA GLU 93 0.0093 102.4372 123.7000
1127 CA VAL 94 0.0094 102.7597 122.5100
1143 CA PHE 95 0.0074 99.3409 122.9400
1163 CA CYS 96 0.0047 94.8622 123.1800
1173 CA LYS 97 0.0045 94.5692 118.7400
1195 CA ILE 98 0.0047 94.8576 119.6300
1214 CA HIS 99 0.0031 92.2587 118.1400
1231 CA THR 100 0.0026 91.3066 115.7200
1245 CA SER 101 0.0028 91.6915 115.7900
1256 CA THR 102 0.0025 91.1906 113.4600
1270 CA ASP 103 0.0020 90.4674 113.4000
1282 CA ILE 104 0.0019 90.2141 111.3500
1301 CA MET 105 0.0021 90.5404 110.5600
1318 CA LEU 106 0.0021 90.4964 110.5300
1337 CA SER 107 0.0020 90.3403 108.5600
1348 CA SER 108 0.0022 90.6834 106.6000
1359 CA ALA 109 0.0023 90.8694 104.2100
1369 CA SER 110 0.0021 90.5873 103.0700
1380 CA ILE 111 0.0023 90.8335 103.6500
1399 CA PHE 112 0.0025 91.2423 102.6600
1419 CA HIS 113 0.0024 91.1157 100.0400
1436 CA LEU 114 0.0025 91.2401 101.2400
1455 CA SER 115 0.0028 91.6772 100.3600
1466 CA PHE 116 0.0029 91.8792 96.2000
1486 CA ILE 117 0.0028 91.7675 95.7200
1505 CA SER 118 0.0033 92.5349 94.3900
1516 CA ILE 119 0.0037 93.1719 91.9200
1535 CA ASP 120 0.0036 93.0039 89.6700
1547 CA ARG 121 0.0039 93.5272 89.4200
1571 CA TYR 122 0.0047 94.8231 89.1100
1592 CA TYR 123 0.0055 96.1603 85.6100
1613 CA ALA 124 0.0063 97.5033 82.9300
1623 CA VAL 125 0.0064 97.7571 85.7100
1639 CA CYS 126 0.0088 101.7347 86.1000
1650 CA ASP 127 0.0119 106.8785 78.1300
1662 CA PRO 128 0.0139 110.1588 74.0200
1676 CA LEU 129 0.0204 120.9758 67.9000
1695 CA ARG 130 0.0163 114.1407 74.0500
1719 CA TYR 131 0.0091 102.2013 78.6200
1740 CA LYS 132 0.0125 107.8531 75.3800
1762 CA ALA 133 0.0169 115.1893 75.9300
1772 CA LYS 134 0.0107 104.8134 80.9500
1794 CA MET 135 0.0070 98.6685 84.5600
1811 CA ASN 136 0.0082 100.6729 86.5000
1825 CA ILE 137 0.0070 98.6397 90.8000
1844 CA LEU 138 0.0140 110.3819 92.2900
1863 CA VAL 139 0.0094 102.7347 89.2500
1879 CA ILE 140 0.0051 95.5915 93.2300
1898 CA CYS 141 0.0069 98.4685 94.2800
1909 CA VAL 142 0.0080 100.4035 95.4500
1925 CA MET 143 0.0052 95.6788 95.5100
1942 CA ILE 144 0.0038 93.3150 97.6400
1961 CA PHE 145 0.0060 96.9492 101.0200
1981 CA ILE 146 0.0057 96.4778 100.4000
2000 CA SER 147 0.0034 92.7634 101.1100
2011 CA TRP 148 0.0032 92.3409 104.4000
2035 CA SER 149 0.0044 94.3493 106.6000
2046 CA VAL 150 0.0043 94.2223 105.6800
2062 CA PRO 151 0.0032 92.3388 107.6800
2076 CA ALA 152 0.0038 93.4379 111.3200
2086 CA VAL 153 0.0057 96.4742 113.3900
2102 CA PHE 154 0.0035 92.9077 112.5100
2122 CA ALA 155 0.0030 92.1217 113.1900
2132 CA PHE 156 0.0043 94.2091 115.0200
2152 CA GLY 157 0.0061 97.1858 118.1200
2159 CA MET 158 0.0044 94.2917 119.1300
2176 CA ILE 159 0.0040 93.6673 119.7800
2195 CA PHE 160 0.0093 102.4419 122.0000
2215 CA LEU 161 0.0109 105.1759 123.0700
2234 CA GLU 162 0.0066 97.9573 123.0000
2249 CA LEU 163 0.0096 102.9627 62.8700
2268 CA ASN 164 0.0070 98.7534 50.8500
2282 CA PHE 165 0.0042 93.9927 122.0500
2302 CA LYS 166 0.0053 95.8243 124.5500
2324 CA GLY 167 0.0060 97.0912 127.0500
2331 CA ALA 168 0.0125 107.7983 129.1200
2341 CA GLU 169 0.0116 106.3772 130.0400
2356 CA GLU 170 0.0174 115.9385 129.6800
2371 CA ILE 171 0.0108 105.0710 129.7200
2390 CA TYR 172 0.0066 98.0279 128.2300
2411 CA TYR 173 0.0103 104.1404 129.4300
2432 CA LYS 174 0.0128 108.3976 129.8300
2454 CA HIS 175 0.0091 102.1733 130.0200
2471 CA VAL 176 0.0081 100.5442 126.9200
2487 CA HIS 177 0.0144 110.9324 129.5400
2504 CA CYS 178 0.0136 109.6151 128.6900
2515 CA ARG 179 0.0126 107.9775 127.0700
2539 CA GLY 180 0.0114 105.9949 127.1800
2546 CA GLY 181 0.0085 101.2020 127.7600
2553 CA CYS 182 0.0046 94.7204 123.5800
2563 CA SER 183 0.0044 94.3065 122.3500
2574 CA VAL 184 0.0024 91.1197 118.6300
2590 CA PHE 185 0.0031 92.2468 123.6200
2610 CA PHE 186 0.0031 92.1460 122.5500
2630 CA SER 187 0.0044 94.4374 123.9700
2641 CA LYS 188 0.0061 97.1893 125.5600
2663 CA ILE 189 0.0068 98.4403 123.9700
2682 CA SER 190 0.0042 94.0286 121.4200
2693 CA GLY 191 0.0035 92.9287 121.7200
2700 CA VAL 192 0.0045 94.5075 120.0600
2716 CA LEU 193 0.0047 94.9044 119.2500
2735 CA THR 194 0.0031 92.2659 116.9100
2749 CA PHE 195 0.0032 92.4414 115.1000
2769 CA MET 196 0.0042 94.1197 113.6900
2786 CA THR 197 0.0041 93.8784 112.4600
2800 CA SER 198 0.0030 92.1193 110.3800
2811 CA PHE 199 0.0031 92.2429 108.7300
2831 CA TYR 200 0.0046 94.6233 110.4600
2852 CA ILE 201 0.0057 96.5153 108.2300
2871 CA PRO 202 0.0039 93.6147 105.3700
2885 CA GLY 203 0.0037 93.1728 105.5400
2892 CA SER 204 0.0056 96.3082 103.6000
2903 CA ILE 205 0.0060 97.0706 100.4400
2922 CA MET 206 0.0039 93.5010 100.5000
2939 CA LEU 207 0.0046 94.6765 100.7600
2958 CA CYS 208 0.0062 97.3716 98.3500
2969 CA VAL 209 0.0048 95.0210 95.6600
2985 CA TYR 210 0.0043 94.1812 97.2100
3006 CA TYR 211 0.0064 97.7181 96.9300
3027 CA ARG 212 0.0066 97.9554 93.6500
3051 CA ILE 213 0.0048 94.9917 92.5100
3070 CA TYR 214 0.0055 96.1340 95.1600
3091 CA LEU 215 0.0073 99.2018 96.4100
3110 CA ILE 216 0.0072 99.0484 91.5500
3129 CA ALA 217 0.0069 98.5658 90.3600
3139 CA LYS 218 0.0085 101.2128 92.1300
3161 CA GLU 219 0.0123 107.4956 90.4500
3176 CA GLN 220 0.0106 104.7511 83.8800
3193 CA ALA 221 0.0118 106.7098 89.5000
3203 CA ARG 222 0.0210 121.9197 89.7300
3227 CA LEU 223 0.0235 126.1655 82.7800
3246 CA ILE 224 0.0212 122.2786 83.4300
3265 CA SER 225 0.0272 132.2241 86.1600
3276 CA ASP 226 0.0497 169.7241 20.9800
3288 CA ALA 227 0.0809 221.4483 31.3000
3298 CA ASN 228 0.0818 223.0289 35.1900
3312 CA GLN 229 0.0514 172.3995 37.0300
3329 CA LYS 230 0.0644 194.0840 38.3600
3351 CA LEU 231 0.0455 162.6126 40.9700
3370 CA GLN 232 0.0555 179.3134 44.0900
3387 CA ILE 233 0.0853 228.8444 36.3900
3406 CA GLY 234 0.0979 249.7413 31.3400
3413 CA LEU 235 0.0788 217.9648 28.2000
3432 CA GLU 236 0.0642 193.6949 24.9900
3447 CA MET 237 0.0425 157.7624 21.5500
3464 CA LYS 238 0.0456 162.9108 19.6800
3486 CA ASN 239 0.0401 153.6163 18.5600
3500 CA GLY 240 0.0413 155.7380 14.9100
3507 CA ILE 241 0.0329 141.7329 111.3100
3526 CA SER 242 0.0195 119.4338 109.9600
3537 CA GLN 243 0.0188 118.3261 108.6700
3554 CA SER 244 0.0214 122.6234 108.2300
3565 CA LYS 245 0.0187 118.0552 105.7200
3587 CA GLU 246 0.0109 105.1372 103.1500
3602 CA ARG 247 0.0129 108.5612 105.2400
3626 CA LYS 248 0.0122 107.3918 103.7800
3648 CA ALA 249 0.0092 102.3251 99.3800
3658 CA VAL 250 0.0084 100.9483 101.7900
3674 CA LYS 251 0.0114 106.0686 101.4200
3696 CA THR 252 0.0057 96.5798 100.6500
3710 CA LEU 253 0.0043 94.2835 98.9100
3729 CA GLY 254 0.0057 96.5014 100.7300
3736 CA ILE 255 0.0053 95.7922 101.5500
3755 CA VAL 256 0.0040 93.7494 101.8800
3771 CA MET 257 0.0044 94.4126 102.8200
3788 CA GLY 258 0.0053 95.8655 105.4800
3795 CA VAL 259 0.0042 94.0902 105.7200
3811 CA PHE 260 0.0037 93.2209 105.8400
3831 CA LEU 261 0.0045 94.5171 107.6100
3850 CA ILE 262 0.0059 96.7876 110.1500
3869 CA CYS 263 0.0038 93.4087 109.5800
3880 CA TRP 264 0.0030 92.0560 108.0200
3904 CA CYS 265 0.0040 93.7122 109.8100
3915 CA PRO 266 0.0047 94.9049 113.1800
3929 CA PHE 267 0.0034 92.6946 114.7600
3949 CA PHE 268 0.0034 92.6843 113.3300
3969 CA ILE 269 0.0050 95.3535 116.6200
3988 CA CYS 270 0.0044 94.4210 118.7100
3999 CA THR 271 0.0036 93.0084 120.2700
4013 CA VAL 272 0.0044 94.3689 123.7100
4029 CA MET 273 0.0054 96.0652 127.5500
4046 CA ASP 274 0.0046 94.7169 127.6200
4058 CA PRO 275 0.0050 95.3087 128.3700
4072 CA PHE 276 0.0093 102.5555 128.5300
4092 CA LEU 277 0.0101 103.7844 130.1700
4111 CA HIS 278 0.0081 100.5716 131.2800
4129 CA TYR 279 0.0155 112.8004 132.4300
4150 CA ILE 280 0.0132 109.0454 131.1500
4169 CA ILE 281 0.0097 103.1414 129.2000
4188 CA PRO 282 0.0154 112.5722 125.2000
4202 CA PRO 283 0.0139 110.2158 122.8200
4216 CA THR 284 0.0131 108.8484 122.4900
4230 CA LEU 285 0.0085 101.1748 122.3100
4249 CA ASN 286 0.0050 95.3159 120.2400
4263 CA ASP 287 0.0062 97.3350 118.5800
4275 CA VAL 288 0.0062 97.4376 119.8500
4291 CA LEU 289 0.0043 94.1953 117.1600
4310 CA ILE 290 0.0030 92.1133 116.1500
4329 CA TRP 291 0.0031 92.2436 116.6700
4353 CA PHE 292 0.0037 93.2228 114.4000
4373 CA GLY 293 0.0029 91.8635 112.2100
4380 CA TYR 294 0.0023 90.8840 110.7800
4401 CA LEU 295 0.0029 91.9114 112.1500
4420 CA ASN 296 0.0024 91.1224 109.6700
4434 CA SER 297 0.0024 90.9685 108.8300
4445 CA THR 298 0.0031 92.2007 111.3800
4459 CA PHE 299 0.0032 92.3997 108.6600
4479 CA ASN 300 0.0027 91.4703 105.8600
4493 CA PRO 301 0.0029 91.9155 108.4000
4507 CA MET 302 0.0042 94.0775 107.3200
4524 CA VAL 303 0.0040 93.7251 105.1300
4540 CA TYR 304 0.0033 92.5696 102.8900
4561 CA ALA 305 0.0042 94.0463 108.3400
4571 CA PHE 306 0.0074 99.2988 108.5400
4591 CA PHE 307 0.0086 101.3607 107.4100
4611 CA TYR 308 0.0127 108.1547 109.4900
4632 CA PRO 309 0.0090 101.9634 108.3700
4646 CA TRP 310 0.0061 97.1318 108.8500
4670 CA PHE 311 0.0107 104.8354 111.7000
4690 CA ARG 312 0.0130 108.6465 112.7800
4714 CA LYS 313 0.0092 102.3193 111.7300
4736 CA ALA 314 0.0123 107.4330 112.7700
4746 CA LEU 315 0.0202 120.5768 114.4100
4765 CA LYS 316 0.0209 121.7774 114.8400
4787 CA MET 317 0.0189 118.4806 113.8300
4804 CA MET 318 0.0388 151.4504 5.3200
4821 CA LEU 319 0.0527 174.7100 6.9300
4840 CA PHE 320 0.0506 171.1592 12.9800

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.