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

* EXSA_mono2 *

B-factor analysis for ID 2401041300393831953

Overall B-factor prediction

Correlation= -0.548 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 1.5558 295.8730 17.3600
25 CA GLN 2 0.8705 197.6235 17.5000
42 CA GLY 3 0.6620 167.7273 20.3300
49 CA ALA 4 0.4052 130.9132 24.5300
59 CA LYS 5 0.2662 110.9820 26.7000
81 CA SER 6 0.1613 95.9357 26.9200
92 CA LEU 7 0.0960 86.5777 29.6100
111 CA GLY 8 0.0534 80.4684 34.7500
118 CA ARG 9 0.0371 78.1301 43.2500
142 CA LYS 10 0.0211 75.8349 61.7500
164 CA GLN 11 0.0124 74.5907 76.5000
181 CA ILE 12 0.0101 74.2637 87.4400
200 CA THR 13 0.0132 74.7018 90.1200
214 CA SER 14 0.0154 75.0156 91.8100
225 CA CYS 15 0.0181 75.4130 91.1900
236 CA HIS 16 0.0252 76.4289 93.5000
253 CA TRP 17 0.0281 76.8408 90.7500
277 CA ASN 18 0.0394 78.4587 92.0600
291 CA ILE 19 0.0419 78.8194 87.5000
310 CA PRO 20 0.0579 81.1175 86.0000
324 CA THR 21 0.0646 82.0777 85.7500
338 CA PHE 22 0.0481 79.7100 83.8800
358 CA GLU 23 0.0433 79.0200 83.6200
373 CA TYR 24 0.0404 78.6084 80.1200
394 CA ARG 25 0.0302 77.1385 80.4400
418 CA VAL 26 0.0299 77.0991 78.4400
434 CA ASN 27 0.0195 75.6139 79.6200
448 CA LYS 28 0.0246 76.3341 77.8100
470 CA GLU 29 0.0139 74.7993 84.8800
485 CA GLU 30 0.0086 74.0405 89.4400
500 CA GLY 31 0.0066 73.7547 94.0600
507 CA VAL 32 0.0057 73.6241 96.8100
523 CA TYR 33 0.0082 73.9851 95.5000
544 CA VAL 34 0.0085 74.0374 95.3800
560 CA LEU 35 0.0130 74.6691 95.1200
579 CA LEU 36 0.0155 75.0407 93.3100
598 CA GLU 37 0.0224 76.0256 94.1900
613 CA GLY 38 0.0281 76.8383 94.1900
620 CA GLU 39 0.0272 76.7080 93.6900
635 CA LEU 40 0.0223 76.0123 94.5000
654 CA THR 41 0.0268 76.6611 94.3100
668 CA VAL 42 0.0231 76.1290 92.9400
684 CA GLN 43 0.0304 77.1692 87.3800
701 CA ASP 44 0.0332 77.5755 81.1900
713 CA ILE 45 0.0565 80.9141 68.2500
732 CA ASP 46 0.0532 80.4323 68.6900
744 CA SER 47 0.0410 78.6945 82.1200
755 CA THR 48 0.0345 77.7640 89.0000
769 CA PHE 49 0.0257 76.4946 91.8800
789 CA CYS 50 0.0273 76.7218 92.4400
800 CA LEU 51 0.0200 75.6756 91.4400
819 CA ALA 52 0.0231 76.1293 89.0600
829 CA PRO 53 0.0202 75.7071 89.7500
843 CA GLY 54 0.0148 74.9280 87.6200
850 CA GLU 55 0.0131 74.6858 92.3800
865 CA LEU 56 0.0083 74.0081 95.8800
884 CA LEU 57 0.0089 74.0866 95.3100
903 CA PHE 58 0.0068 73.7809 95.6200
923 CA VAL 59 0.0097 74.2079 91.8100
939 CA ARG 60 0.0111 74.4028 85.6200
963 CA ARG 61 0.0154 75.0144 81.3100
987 CA GLY 62 0.0264 76.5979 76.8100
994 CA SER 63 0.0320 77.4064 77.7500
1005 CA TYR 64 0.0276 76.7625 85.5000
1026 CA VAL 65 0.0338 77.6512 84.6900
1042 CA VAL 66 0.0289 76.9537 91.0600
1058 CA SER 67 0.0334 77.5937 91.2500
1069 CA THR 68 0.0322 77.4348 93.1200
1083 CA LYS 69 0.0450 79.2671 90.5600
1105 CA GLY 70 0.0509 80.1030 89.0600
1112 CA LYS 71 0.0431 78.9952 93.5600
1134 CA ASP 72 0.0366 78.0620 94.5000
1146 CA SER 73 0.0257 76.5030 94.6200
1157 CA ARG 74 0.0193 75.5729 95.3800
1181 CA ILE 75 0.0137 74.7825 95.0600
1200 CA LEU 76 0.0096 74.1910 95.1200
1219 CA TRP 77 0.0089 74.0822 93.9400
1243 CA ILE 78 0.0066 73.7567 95.0000
1262 CA PRO 79 0.0082 73.9832 91.6200
1276 CA LEU 80 0.0067 73.7784 90.6900
1295 CA SER 81 0.0102 74.2792 82.2500
1306 CA ALA 82 0.0114 74.4474 74.6200
1316 CA GLN 83 0.0173 75.2985 73.0600
1333 CA PHE 84 0.0090 74.0974 81.5000
1353 CA LEU 85 0.0065 73.7456 82.8800
1372 CA GLN 86 0.0097 74.1966 72.9400
1389 CA GLY 87 0.0117 74.4945 74.8100
1396 CA PHE 88 0.0078 73.9303 82.1900
1416 CA VAL 89 0.0085 74.0368 76.2500
1432 CA GLN 90 0.0181 75.4033 67.3800
1449 CA ARG 91 0.0177 75.3532 69.6900
1473 CA PHE 92 0.0135 74.7423 73.4400
1493 CA GLY 93 0.0151 74.9816 68.4400
1500 CA ALA 94 0.0262 76.5727 62.4400
1510 CA LEU 95 0.0188 75.5033 66.4400
1529 CA LEU 96 0.0115 74.4579 68.5000
1548 CA SER 97 0.0176 75.3317 64.0600
1559 CA GLU 98 0.0215 75.8986 65.7500
1574 CA VAL 99 0.0143 74.8551 69.8100
1590 CA GLU 100 0.0154 75.0170 70.2500
1605 CA ARG 101 0.0129 74.6640 64.7500
1629 CA CYS 102 0.0143 74.8616 63.3800
1640 CA ASP 103 0.0160 75.1085 57.6200
1652 CA GLU 104 0.0273 76.7233 62.9100
1667 CA PRO 105 0.0305 77.1825 63.8800
1681 CA VAL 106 0.0162 75.1390 69.3100
1697 CA PRO 107 0.0177 75.3556 76.9400
1711 CA GLY 108 0.0179 75.3788 81.3800
1718 CA ILE 109 0.0147 74.9187 90.1200
1737 CA ILE 110 0.0113 74.4358 92.5000
1756 CA ALA 111 0.0121 74.5453 93.4400
1766 CA PHE 112 0.0109 74.3785 93.7500
1786 CA ALA 113 0.0158 75.0747 88.8100
1796 CA ALA 114 0.0172 75.2828 86.3100
1806 CA THR 115 0.0196 75.6257 89.3800
1820 CA PRO 116 0.0339 77.6695 89.6200
1834 CA LEU 117 0.0224 76.0205 91.0600
1853 CA LEU 118 0.0115 74.4549 92.1200
1872 CA ALA 119 0.0160 75.1075 92.6900
1882 CA GLY 120 0.0187 75.4867 91.5000
1889 CA CYS 121 0.0117 74.4952 92.7500
1900 CA VAL 122 0.0104 74.2990 93.2500
1916 CA LYS 123 0.0178 75.3627 92.2500
1938 CA GLY 124 0.0162 75.1338 91.6900
1945 CA LEU 125 0.0113 74.4336 91.4400
1964 CA LYS 126 0.0156 75.0447 90.5000
1986 CA GLU 127 0.0224 76.0275 89.8800
2001 CA LEU 128 0.0196 75.6162 88.7500
2020 CA LEU 129 0.0204 75.7377 86.3800
2039 CA VAL 130 0.0389 78.3887 85.8800
2055 CA HIS 131 0.0447 79.2270 86.1200
2072 CA GLU 132 0.0567 80.9470 83.1200
2087 CA HIS 133 0.0418 78.8021 82.0600
2104 CA PRO 134 0.0413 78.7337 80.9400
2118 CA PRO 135 0.0308 77.2293 79.8100
2132 CA MET 136 0.0272 76.7181 83.6900
2149 CA LEU 137 0.0218 75.9441 87.6900
2168 CA ALA 138 0.0132 74.7008 89.1900
2178 CA CYS 139 0.0124 74.5870 89.6900
2189 CA LEU 140 0.0139 74.8090 89.4400
2208 CA LYS 141 0.0101 74.2627 92.4400
2230 CA ILE 142 0.0059 73.6601 93.3800
2249 CA GLU 143 0.0069 73.7949 92.0600
2264 CA GLU 144 0.0082 73.9852 92.5000
2279 CA LEU 145 0.0054 73.5912 94.6200
2298 CA LEU 146 0.0045 73.4570 93.5600
2317 CA MET 147 0.0069 73.8021 91.9400
2334 CA LEU 148 0.0081 73.9728 93.1200
2353 CA PHE 149 0.0065 73.7427 94.0600
2373 CA ALA 150 0.0074 73.8675 88.5000
2383 CA PHE 151 0.0117 74.4951 87.4400
2403 CA SER 152 0.0131 74.6935 89.1200
2414 CA PRO 153 0.0190 75.5413 88.2500
2428 CA GLN 154 0.0124 74.5883 89.1200
2445 CA GLY 155 0.0094 74.1532 88.8800
2452 CA PRO 156 0.0116 74.4691 83.6900
2466 CA LEU 157 0.0114 74.4439 85.1900
2485 CA LEU 158 0.0074 73.8661 88.3100
2504 CA MET 159 0.0076 73.9076 82.2500
2521 CA SER 160 0.0099 74.2241 77.3100
2532 CA VAL 161 0.0089 74.0909 79.5000
2548 CA LEU 162 0.0072 73.8476 79.8100
2567 CA ARG 163 0.0093 74.1489 68.6900
2591 CA GLN 164 0.0111 74.4032 65.5000
2608 CA LEU 165 0.0102 74.2695 63.6200
2627 CA SER 166 0.0111 74.3982 55.3800
2638 CA ASN 167 0.0110 74.3878 54.6900
2652 CA ARG 168 0.0165 75.1774 53.5600
2676 CA HIS 169 0.0133 74.7193 59.0300
2693 CA VAL 170 0.0117 74.4920 61.6600
2709 CA GLU 171 0.0114 74.4504 60.1200
2725 CA ARG 172 0.0132 74.7114 63.4700
2749 CA LEU 173 0.0105 74.3154 74.3100
2768 CA GLN 174 0.0108 74.3672 69.9400
2785 CA LEU 175 0.0129 74.6546 65.8100
2804 CA PHE 176 0.0130 74.6822 74.5000
2824 CA MET 177 0.0093 74.1497 78.8100
2841 CA GLU 178 0.0128 74.6428 71.8800
2856 CA LYS 179 0.0183 75.4302 69.0600
2878 CA HIS 180 0.0131 74.6914 80.6900
2895 CA TYR 181 0.0091 74.1182 82.6200
2916 CA LEU 182 0.0129 74.6600 82.1200
2935 CA ASN 183 0.0153 75.0072 82.1200
2949 CA GLU 184 0.0164 75.1617 80.2500
2964 CA TRP 185 0.0154 75.0134 85.5000
2988 CA LYS 186 0.0199 75.6688 88.0000
3010 CA LEU 187 0.0144 74.8770 89.3800
3029 CA SER 188 0.0219 75.9491 91.1900
3040 CA ASP 189 0.0203 75.7185 91.8800
3052 CA PHE 190 0.0128 74.6439 90.4400
3072 CA SER 191 0.0162 75.1338 88.5000
3083 CA ARG 192 0.0251 76.4170 87.9400
3107 CA GLU 193 0.0223 76.0115 84.9400
3122 CA PHE 194 0.0165 75.1845 82.0600
3142 CA GLY 195 0.0236 76.1931 82.3100
3149 CA MET 196 0.0225 76.0421 78.0000
3166 CA GLY 197 0.0271 76.6942 82.5600
3173 CA LEU 198 0.0231 76.1217 88.7500
3192 CA THR 199 0.0288 76.9375 85.0000
3206 CA THR 200 0.0238 76.2218 80.2500
3220 CA PHE 201 0.0155 75.0380 86.4400
3240 CA LYS 202 0.0157 75.0658 86.5000
3262 CA GLU 203 0.0211 75.8362 75.5600
3277 CA LEU 204 0.0139 74.8108 74.9400
3296 CA PHE 205 0.0107 74.3423 81.0600
3316 CA GLY 206 0.0147 74.9219 74.5600
3323 CA SER 207 0.0158 75.0841 65.2500
3334 CA VAL 208 0.0122 74.5661 63.0600
3350 CA TYR 209 0.0120 74.5318 64.3100
3371 CA GLY 210 0.0211 75.8404 68.8800
3378 CA VAL 211 0.0170 75.2453 72.2500
3394 CA SER 212 0.0127 74.6291 83.3100
3405 CA PRO 213 0.0086 74.0478 88.0600
3419 CA ARG 214 0.0097 74.1986 86.8800
3443 CA ALA 215 0.0106 74.3381 82.1200
3453 CA TRP 216 0.0081 73.9775 81.6200
3477 CA ILE 217 0.0068 73.7844 87.4400
3496 CA SER 218 0.0081 73.9782 83.9400
3507 CA GLU 219 0.0112 74.4238 79.9400
3522 CA ARG 220 0.0112 74.4227 78.6900
3546 CA ARG 221 0.0105 74.3123 84.6900
3570 CA ILE 222 0.0141 74.8304 82.7500
3589 CA LEU 223 0.0213 75.8608 77.1200
3608 CA TYR 224 0.0226 76.0577 73.5600
3629 CA ALA 225 0.0221 75.9794 81.0000
3639 CA HIS 226 0.0312 77.2870 75.5600
3656 CA GLN 227 0.0422 78.8679 67.8800
3673 CA LEU 228 0.0434 79.0369 71.6900
3692 CA LEU 229 0.0458 79.3828 73.5000
3711 CA LEU 230 0.0652 82.1634 66.1200
3730 CA ASN 231 0.0800 84.2873 59.8400
3744 CA SER 232 0.0790 84.1340 63.4700
3755 CA ASP 233 0.0862 85.1750 70.7500
3767 CA MET 234 0.0649 82.1103 75.1200
3784 CA SER 235 0.0600 81.4077 82.6900
3795 CA ILE 236 0.0429 78.9647 86.2500
3814 CA VAL 237 0.0439 79.1000 87.5000
3830 CA ASP 238 0.0454 79.3176 83.9400
3842 CA ILE 239 0.0322 77.4317 83.0600
3861 CA ALA 240 0.0235 76.1809 87.7500
3871 CA MET 241 0.0286 76.9167 83.0000
3888 CA GLU 242 0.0288 76.9459 78.8100
3903 CA ALA 243 0.0174 75.3098 81.8800
3913 CA GLY 244 0.0152 74.9922 83.0000
3920 CA PHE 245 0.0155 75.0407 86.5000
3940 CA SER 246 0.0278 76.7934 82.6900
3951 CA SER 247 0.0332 77.5786 87.5000
3962 CA GLN 248 0.0344 77.7416 88.3100
3979 CA SER 249 0.0401 78.5640 90.0000
3990 CA TYR 250 0.0272 76.7156 88.9400
4011 CA PHE 251 0.0206 75.7632 91.3100
4031 CA THR 252 0.0307 77.2165 90.9400
4045 CA GLN 253 0.0342 77.7106 90.8800
4062 CA SER 254 0.0228 76.0839 87.6900
4073 CA TYR 255 0.0241 76.2661 87.6200
4094 CA ARG 256 0.0381 78.2709 85.6900
4118 CA ARG 257 0.0397 78.5089 84.5000
4142 CA ARG 258 0.0317 77.3504 75.1200
4166 CA PHE 259 0.0410 78.6937 72.9400
4186 CA GLY 260 0.0568 80.9570 77.8100
4193 CA CYS 261 0.0550 80.6928 81.5000
4203 CA THR 262 0.0462 79.4298 86.3100
4217 CA PRO 263 0.0402 78.5696 86.1200
4231 CA SER 264 0.0595 81.3431 84.5600
4242 CA ARG 265 0.0699 82.8365 79.0600
4266 CA SER 266 0.0602 81.4363 71.3800
4277 CA ARG 267 0.0684 82.6146 72.4400
4301 CA GLN 268 0.0996 87.0911 68.1200
4318 CA GLY 269 0.1077 88.2530 55.3800
4325 CA LYS 270 0.1206 90.1055 45.7200
4347 CA ASP 271 0.1378 92.5639 35.1900
4359 CA GLU 272 0.1172 89.6099 38.2800
4374 CA CYS 273 0.0830 84.7050 40.2500
4384 CA ARG 274 0.1140 89.1633 35.0300
4408 CA ALA 275 0.1380 92.5964 31.6700
4418 CA LYS 276 0.1268 90.9901 30.2800
4440 CA ASN 277 0.1358 92.2792 24.3600
4454 CA ASN 278 0.2040 102.0559 22.6400
4468 CA NMA 278 0.2837 113.4930 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.