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

* EXSA_mono1 *

B-factor analysis for ID 2401041300303831936

Overall B-factor prediction

Correlation= -0.722 for 279 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
8 CA MET 1 0.1075 163.8398 17.3600
25 CA GLN 2 0.0941 150.8494 17.5000
42 CA GLY 3 0.0611 118.8673 20.3300
49 CA ALA 4 0.0547 112.6265 24.5300
59 CA LYS 5 0.0745 131.8489 26.7000
81 CA SER 6 0.0655 123.1330 26.9200
92 CA LEU 7 0.0526 110.6216 29.6100
111 CA GLY 8 0.0434 101.7102 34.7500
118 CA ARG 9 0.0334 92.0451 43.2500
142 CA LYS 10 0.0212 80.2057 61.7500
164 CA GLN 11 0.0134 72.7141 76.5000
181 CA ILE 12 0.0108 70.1924 87.4400
200 CA THR 13 0.0118 71.0897 90.1200
214 CA SER 14 0.0127 71.9577 91.8100
225 CA CYS 15 0.0122 71.5097 91.1900
236 CA HIS 16 0.0167 75.8739 93.5000
253 CA TRP 17 0.0158 74.9585 90.7500
277 CA ASN 18 0.0227 81.6293 92.0600
291 CA ILE 19 0.0218 80.7735 87.5000
310 CA PRO 20 0.0327 91.3854 86.0000
324 CA THR 21 0.0368 95.3008 85.7500
338 CA PHE 22 0.0236 82.5657 83.8800
358 CA GLU 23 0.0226 81.5742 83.6200
373 CA TYR 24 0.0208 79.8145 80.1200
394 CA ARG 25 0.0155 74.6920 80.4400
418 CA VAL 26 0.0163 75.5125 78.4400
434 CA ASN 27 0.0103 69.6591 79.6200
448 CA LYS 28 0.0158 74.9668 77.8100
470 CA GLU 29 0.0081 67.5669 84.8800
485 CA GLU 30 0.0041 63.6516 89.4400
500 CA GLY 31 0.0033 62.8867 94.0600
507 CA VAL 32 0.0023 61.9614 96.8100
523 CA TYR 33 0.0027 62.3421 95.5000
544 CA VAL 34 0.0041 63.6821 95.3800
560 CA LEU 35 0.0060 65.4564 95.1200
579 CA LEU 36 0.0098 69.2219 93.3100
598 CA GLU 37 0.0134 72.6951 94.1900
613 CA GLY 38 0.0149 74.1502 94.1900
620 CA GLU 39 0.0123 71.5853 93.6900
635 CA LEU 40 0.0083 67.7313 94.5000
654 CA THR 41 0.0098 69.1753 94.3100
668 CA VAL 42 0.0077 67.1421 92.9400
684 CA GLN 43 0.0115 70.8114 87.3800
701 CA ASP 44 0.0144 73.6678 81.1900
713 CA ILE 45 0.0329 91.5676 68.2500
732 CA ASP 46 0.0313 90.0312 68.6900
744 CA SER 47 0.0207 79.7234 82.1200
755 CA THR 48 0.0144 73.6631 89.0000
769 CA PHE 49 0.0100 69.3303 91.8800
789 CA CYS 50 0.0108 70.1473 92.4400
800 CA LEU 51 0.0079 67.3070 91.4400
819 CA ALA 52 0.0118 71.0869 89.0600
829 CA PRO 53 0.0117 71.0472 89.7500
843 CA GLY 54 0.0096 68.9666 87.6200
850 CA GLU 55 0.0070 66.4266 92.3800
865 CA LEU 56 0.0037 63.3076 95.8800
884 CA LEU 57 0.0026 62.2261 95.3100
903 CA PHE 58 0.0020 61.6261 95.6200
923 CA VAL 59 0.0026 62.2478 91.8100
939 CA ARG 60 0.0043 63.8273 85.6200
963 CA ARG 61 0.0070 66.4591 81.3100
987 CA GLY 62 0.0132 72.4968 76.8100
994 CA SER 63 0.0155 74.7282 77.7500
1005 CA TYR 64 0.0111 70.4324 85.5000
1026 CA VAL 65 0.0141 73.3658 84.6900
1042 CA VAL 66 0.0116 70.8979 91.0600
1058 CA SER 67 0.0140 73.2587 91.2500
1069 CA THR 68 0.0144 73.5914 93.1200
1083 CA LYS 69 0.0218 80.7740 90.5600
1105 CA GLY 70 0.0279 86.7163 89.0600
1112 CA LYS 71 0.0242 83.1028 93.5600
1134 CA ASP 72 0.0219 80.9295 94.5000
1146 CA SER 73 0.0140 73.2898 94.6200
1157 CA ARG 74 0.0116 70.9466 95.3800
1181 CA ILE 75 0.0075 66.9257 95.0600
1200 CA LEU 76 0.0064 65.8806 95.1200
1219 CA TRP 77 0.0055 64.9842 93.9400
1243 CA ILE 78 0.0054 64.9169 95.0000
1262 CA PRO 79 0.0063 65.7619 91.6200
1276 CA LEU 80 0.0052 64.7647 90.6900
1295 CA SER 81 0.0077 67.1188 82.2500
1306 CA ALA 82 0.0076 67.0670 74.6200
1316 CA GLN 83 0.0081 67.5573 73.0600
1333 CA PHE 84 0.0085 67.9599 81.5000
1353 CA LEU 85 0.0060 65.5119 82.8800
1372 CA GLN 86 0.0074 66.8753 72.9400
1389 CA GLY 87 0.0095 68.8676 74.8100
1396 CA PHE 88 0.0088 68.2519 82.1900
1416 CA VAL 89 0.0084 67.8398 76.2500
1432 CA GLN 90 0.0096 69.0347 67.3800
1449 CA ARG 91 0.0137 72.9245 69.6900
1473 CA PHE 92 0.0151 74.2922 73.4400
1493 CA GLY 93 0.0153 74.5309 68.4400
1500 CA ALA 94 0.0298 88.5478 62.4400
1510 CA LEU 95 0.0226 81.6118 66.4400
1529 CA LEU 96 0.0143 73.5048 68.5000
1548 CA SER 97 0.0218 80.7663 64.0600
1559 CA GLU 98 0.0262 85.0278 65.7500
1574 CA VAL 99 0.0172 76.3072 69.8100
1590 CA GLU 100 0.0224 81.3469 70.2500
1605 CA ARG 101 0.0213 80.3377 64.7500
1629 CA CYS 102 0.0190 78.1282 63.3800
1640 CA ASP 103 0.0333 91.9615 57.6200
1652 CA GLU 104 0.0298 88.5414 62.9100
1667 CA PRO 105 0.0310 89.7314 63.8800
1681 CA VAL 106 0.0100 69.3969 69.3100
1697 CA PRO 107 0.0091 68.4772 76.9400
1711 CA GLY 108 0.0070 66.4314 81.3800
1718 CA ILE 109 0.0049 64.4321 90.1200
1737 CA ILE 110 0.0041 63.6870 92.5000
1756 CA ALA 111 0.0048 64.3844 93.4400
1766 CA PHE 112 0.0061 65.5699 93.7500
1786 CA ALA 113 0.0101 69.4972 88.8100
1796 CA ALA 114 0.0131 72.3414 86.3100
1806 CA THR 115 0.0177 76.8156 89.3800
1820 CA PRO 116 0.0334 92.0651 89.6200
1834 CA LEU 117 0.0239 82.8406 91.0600
1853 CA LEU 118 0.0118 71.1390 92.1200
1872 CA ALA 119 0.0154 74.6047 92.6900
1882 CA GLY 120 0.0199 78.9831 91.5000
1889 CA CYS 121 0.0138 73.0721 92.7500
1900 CA VAL 122 0.0107 70.0551 93.2500
1916 CA LYS 123 0.0185 77.6062 92.2500
1938 CA GLY 124 0.0186 77.6751 91.6900
1945 CA LEU 125 0.0132 72.4317 91.4400
1964 CA LYS 126 0.0162 75.3617 90.5000
1986 CA GLU 127 0.0244 83.3059 89.8800
2001 CA LEU 128 0.0222 81.2146 88.7500
2020 CA LEU 129 0.0217 80.7522 86.3800
2039 CA VAL 130 0.0411 99.5095 85.8800
2055 CA HIS 131 0.0486 106.7710 86.1200
2072 CA GLU 132 0.0592 117.0413 83.1200
2087 CA HIS 133 0.0449 103.1695 82.0600
2104 CA PRO 134 0.0440 102.3102 80.9400
2118 CA PRO 135 0.0332 91.8674 79.8100
2132 CA MET 136 0.0315 90.2441 83.6900
2149 CA LEU 137 0.0261 84.9898 87.6900
2168 CA ALA 138 0.0169 76.0250 89.1900
2178 CA CYS 139 0.0163 75.4931 89.6900
2189 CA LEU 140 0.0185 77.6128 89.4400
2208 CA LYS 141 0.0139 73.1047 92.4400
2230 CA ILE 142 0.0085 67.9143 93.3800
2249 CA GLU 143 0.0100 69.3911 92.0600
2264 CA GLU 144 0.0118 71.1006 92.5000
2279 CA LEU 145 0.0073 66.7962 94.6200
2298 CA LEU 146 0.0058 65.3508 93.5600
2317 CA MET 147 0.0094 68.8086 91.9400
2334 CA LEU 148 0.0100 69.3533 93.1200
2353 CA PHE 149 0.0064 65.8884 94.0600
2373 CA ALA 150 0.0083 67.7431 88.5000
2383 CA PHE 151 0.0134 72.6984 87.4400
2403 CA SER 152 0.0130 72.2419 89.1200
2414 CA PRO 153 0.0173 76.4015 88.2500
2428 CA GLN 154 0.0092 68.6241 89.1200
2445 CA GLY 155 0.0088 68.1776 88.8800
2452 CA PRO 156 0.0109 70.2581 83.6900
2466 CA LEU 157 0.0082 67.6297 85.1900
2485 CA LEU 158 0.0049 64.4092 88.3100
2504 CA MET 159 0.0068 66.2354 82.2500
2521 CA SER 160 0.0080 67.4020 77.3100
2532 CA VAL 161 0.0054 64.9042 79.5000
2548 CA LEU 162 0.0053 64.7954 79.8100
2567 CA ARG 163 0.0078 67.2100 68.6900
2591 CA GLN 164 0.0080 67.4089 65.5000
2608 CA LEU 165 0.0068 66.2639 63.6200
2627 CA SER 166 0.0080 67.4758 55.3800
2638 CA ASN 167 0.0097 69.0825 54.6900
2652 CA ARG 168 0.0163 75.4887 53.5600
2676 CA HIS 169 0.0108 70.1526 59.0300
2693 CA VAL 170 0.0088 68.2297 61.6600
2709 CA GLU 171 0.0083 67.6832 60.1200
2725 CA ARG 172 0.0087 68.0954 63.4700
2749 CA LEU 173 0.0066 66.1273 74.3100
2768 CA GLN 174 0.0066 66.1107 69.9400
2785 CA LEU 175 0.0075 66.9552 65.8100
2804 CA PHE 176 0.0069 66.3884 74.5000
2824 CA MET 177 0.0051 64.6598 78.8100
2841 CA GLU 178 0.0069 66.4149 71.8800
2856 CA LYS 179 0.0107 70.0286 69.0600
2878 CA HIS 180 0.0073 66.7768 80.6900
2895 CA TYR 181 0.0053 64.7859 82.6200
2916 CA LEU 182 0.0078 67.2191 82.1200
2935 CA ASN 183 0.0101 69.4506 82.1200
2949 CA GLU 184 0.0124 71.6681 80.2500
2964 CA TRP 185 0.0118 71.0760 85.5000
2988 CA LYS 186 0.0178 76.9377 88.0000
3010 CA LEU 187 0.0128 72.1207 89.3800
3029 CA SER 188 0.0190 78.1275 91.1900
3040 CA ASP 189 0.0161 75.2477 91.8800
3052 CA PHE 190 0.0090 68.4511 90.4400
3072 CA SER 191 0.0122 71.5011 88.5000
3083 CA ARG 192 0.0190 78.0859 87.9400
3107 CA GLU 193 0.0153 74.4750 84.9400
3122 CA PHE 194 0.0107 70.0074 82.0600
3142 CA GLY 195 0.0165 75.6381 82.3100
3149 CA MET 196 0.0175 76.6736 78.0000
3166 CA GLY 197 0.0232 82.1636 82.5600
3173 CA LEU 198 0.0209 79.8961 88.7500
3192 CA THR 199 0.0280 86.7691 85.0000
3206 CA THR 200 0.0221 81.0477 80.2500
3220 CA PHE 201 0.0135 72.7946 86.4400
3240 CA LYS 202 0.0160 75.2175 86.5000
3262 CA GLU 203 0.0223 81.2822 75.5600
3277 CA LEU 204 0.0136 72.8246 74.9400
3296 CA PHE 205 0.0104 69.7199 81.0600
3316 CA GLY 206 0.0172 76.3938 74.5600
3323 CA SER 207 0.0202 79.2662 65.2500
3334 CA VAL 208 0.0123 71.5590 63.0600
3350 CA TYR 209 0.0123 71.6273 64.3100
3371 CA GLY 210 0.0272 86.0661 68.8800
3378 CA VAL 211 0.0206 79.6581 72.2500
3394 CA SER 212 0.0146 73.7884 83.3100
3405 CA PRO 213 0.0087 68.0819 88.0600
3419 CA ARG 214 0.0100 69.3784 86.8800
3443 CA ALA 215 0.0113 70.6302 82.1200
3453 CA TRP 216 0.0074 66.8898 81.6200
3477 CA ILE 217 0.0053 64.7801 87.4400
3496 CA SER 218 0.0062 65.6750 83.9400
3507 CA GLU 219 0.0077 67.1053 79.9400
3522 CA ARG 220 0.0069 66.3597 78.6900
3546 CA ARG 221 0.0060 65.4561 84.6900
3570 CA ILE 222 0.0073 66.7234 82.7500
3589 CA LEU 223 0.0115 70.8586 77.1200
3608 CA TYR 224 0.0131 72.3617 73.5600
3629 CA ALA 225 0.0121 71.4042 81.0000
3639 CA HIS 226 0.0167 75.8388 75.5600
3656 CA GLN 227 0.0253 84.1676 67.8800
3673 CA LEU 228 0.0269 85.6970 71.6900
3692 CA LEU 229 0.0268 85.5986 73.5000
3711 CA LEU 230 0.0399 98.3211 66.1200
3730 CA ASN 231 0.0534 111.3765 59.8400
3744 CA SER 232 0.0538 111.7831 63.4700
3755 CA ASP 233 0.0593 117.1556 70.7500
3767 CA MET 234 0.0438 102.1314 75.1200
3784 CA SER 235 0.0399 98.3305 82.6900
3795 CA ILE 236 0.0265 85.3497 86.2500
3814 CA VAL 237 0.0296 88.3400 87.5000
3830 CA ASP 238 0.0313 89.9686 83.9400
3842 CA ILE 239 0.0204 79.4826 83.0600
3861 CA ALA 240 0.0149 74.1159 87.7500
3871 CA MET 241 0.0200 79.0917 83.0000
3888 CA GLU 242 0.0193 78.3609 78.8100
3903 CA ALA 243 0.0108 70.1160 81.8800
3913 CA GLY 244 0.0102 69.6021 83.0000
3920 CA PHE 245 0.0107 70.0569 86.5000
3940 CA SER 246 0.0218 80.7579 82.6900
3951 CA SER 247 0.0244 83.2873 87.5000
3962 CA GLN 248 0.0227 81.6324 88.3100
3979 CA SER 249 0.0265 85.3660 90.0000
3990 CA TYR 250 0.0182 77.3604 88.9400
4011 CA PHE 251 0.0120 71.3410 91.3100
4031 CA THR 252 0.0166 75.7766 90.9400
4045 CA GLN 253 0.0198 78.8405 90.8800
4062 CA SER 254 0.0130 72.3271 87.6900
4073 CA TYR 255 0.0116 70.8988 87.6200
4094 CA ARG 256 0.0185 77.6298 85.6900
4118 CA ARG 257 0.0221 81.0783 84.5000
4142 CA ARG 258 0.0156 74.7627 75.1200
4166 CA PHE 259 0.0188 77.8800 72.9400
4186 CA GLY 260 0.0255 84.3778 77.8100
4193 CA CYS 261 0.0251 84.0144 81.5000
4203 CA THR 262 0.0222 81.1963 86.3100
4217 CA PRO 263 0.0204 79.4679 86.1200
4231 CA SER 264 0.0327 91.3832 84.5600
4242 CA ARG 265 0.0360 94.6024 79.0600
4266 CA SER 266 0.0310 89.6743 71.3800
4277 CA ARG 267 0.0382 96.6903 72.4400
4301 CA GLN 268 0.0588 116.6518 68.1200
4318 CA GLY 269 0.0615 119.2259 55.3800
4325 CA LYS 270 0.0733 130.6779 45.7200
4347 CA ASP 271 0.0795 136.7277 35.1900
4359 CA GLU 272 0.0605 118.2501 38.2800
4374 CA CYS 273 0.0395 97.9261 40.2500
4384 CA ARG 274 0.0561 114.0002 35.0300
4408 CA ALA 275 0.0663 123.8950 31.6700
4418 CA LYS 276 0.0516 109.6726 30.2800
4440 CA ASN 277 0.0469 105.1436 24.3600
4454 CA ASN 278 0.0776 134.8732 22.6400
4468 CA NMA 278 0.1199 175.8319 0.0000

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.