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

* ADENOSINE_KINASE *

B-factor analysis for ID 220501084101121917

Overall B-factor prediction

Correlation= 0.466 for 325 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 PRO 12 0.0289 48.1028 50.3000
9 CA MET 13 0.0154 40.8023 26.7200
17 CA ARG 14 0.0113 38.5781 36.2400
28 CA VAL 15 0.0071 36.2757 28.6700
35 CA PHE 16 0.0050 35.1606 30.0000
46 CA ALA 17 0.0047 35.0071 39.0100
51 CA ILE 18 0.0049 35.0714 24.4200
59 CA GLY 19 0.0057 35.5278 20.2800
63 CA ASN 20 0.0070 36.2486 57.7900
71 CA PRO 21 0.0071 36.2614 65.0100
78 CA ILE 22 0.0083 36.9189 48.4500
86 CA LEU 23 0.0077 36.6086 33.0300
94 CA ASP 24 0.0093 37.4979 28.4200
102 CA LEU 25 0.0102 37.9423 34.5600
110 CA VAL 26 0.0155 40.8302 45.8800
117 CA ALA 27 0.0211 43.8436 47.5900
122 CA GLU 28 0.0332 50.4021 51.8100
131 CA VAL 29 0.0364 52.1416 60.2600
138 CA PRO 30 0.0714 71.0806 49.0100
145 CA SER 31 0.0733 72.0940 25.2800
151 CA SER 32 0.0797 75.5924 42.7300
157 CA PHE 33 0.0505 59.7768 49.2300
168 CA LEU 34 0.0452 56.9010 55.8400
176 CA ASP 35 0.0712 70.9969 57.0600
184 CA GLU 36 0.0683 69.4130 39.3700
193 CA PHE 37 0.0518 60.4838 34.0200
204 CA PHE 38 0.0752 73.1486 50.9100
215 CA LEU 39 0.0587 64.2019 63.2900
223 CA LYS 40 0.0743 72.6717 78.1400
232 CA ARG 41 0.0693 69.9269 78.0700
243 CA GLY 42 0.0820 76.8171 83.6100
247 CA ASP 43 0.0689 69.7453 49.7700
255 CA ALA 44 0.0516 60.3815 43.5000
260 CA THR 45 0.0563 62.8878 21.5200
267 CA LEU 46 0.0490 58.9819 24.9000
275 CA ALA 47 0.0381 53.0829 56.3400
280 CA THR 48 0.0761 73.6266 37.2800
287 CA PRO 49 0.0975 85.1946 49.5000
294 CA GLU 50 0.0680 69.2495 58.9800
303 CA GLN 51 0.0403 54.2725 59.3000
312 CA MET 52 0.0397 53.9146 51.7900
320 CA ARG 53 0.0535 61.4108 48.4500
331 CA ILE 54 0.0254 46.1886 29.7800
339 CA TYR 55 0.0201 43.2962 34.7800
351 CA SER 56 0.0372 52.5690 29.0900
357 CA THR 57 0.0347 51.2401 41.3500
364 CA LEU 58 0.0220 44.3529 35.9600
372 CA ASP 59 0.0290 48.1320 43.3000
380 CA GLN 60 0.0608 65.3553 74.5800
389 CA PHE 61 0.0504 59.6932 78.5900
400 CA ASN 62 0.0594 64.6078 91.6300
408 CA PRO 63 0.0310 49.2142 82.8400
415 CA THR 64 0.0479 58.3410 78.6100
422 CA SER 65 0.0172 41.7352 63.2100
428 CA LEU 66 0.0094 37.5467 51.2800
436 CA PRO 67 0.0085 37.0249 44.7500
443 CA GLY 68 0.0067 36.0875 50.5800
447 CA GLY 69 0.0071 36.2883 37.4700
451 CA SER 70 0.0064 35.9169 57.4500
457 CA ALA 71 0.0053 35.2955 52.2600
462 CA LEU 72 0.0059 35.6168 36.5700
470 CA ASN 73 0.0064 35.8955 25.4700
478 CA SER 74 0.0057 35.5528 33.9000
484 CA VAL 75 0.0054 35.3802 18.8700
491 CA ARG 76 0.0066 35.9930 27.8000
502 CA VAL 77 0.0074 36.4679 23.9900
509 CA VAL 78 0.0080 36.7861 20.2800
516 CA GLN 79 0.0089 37.2812 32.7100
525 CA LYS 80 0.0137 39.8552 50.1500
534 CA LEU 81 0.0142 40.1277 28.3900
542 CA LEU 82 0.0205 43.5379 33.7000
550 CA ARG 83 0.0289 48.1008 56.8900
561 CA LYS 84 0.0327 50.1494 56.2100
570 CA PRO 85 0.0314 49.4293 41.3400
577 CA GLY 86 0.0192 42.8426 35.7700
581 CA SER 87 0.0147 40.4226 40.1900
587 CA ALA 88 0.0080 36.7959 36.2800
592 CA GLY 89 0.0076 36.5788 33.4000
596 CA TYR 90 0.0058 35.5699 37.9000
608 CA MET 91 0.0059 35.6419 35.1100
616 CA GLY 92 0.0083 36.9394 45.5300
620 CA ALA 93 0.0099 37.8014 44.6600
625 CA ILE 94 0.0129 39.4142 42.6500
633 CA GLY 95 0.0186 42.4926 44.2100
637 CA ASP 96 0.0345 51.0956 36.4800
645 CA ASP 97 0.0267 46.8711 42.4100
653 CA PRO 98 0.0244 45.6240 43.7000
660 CA ARG 99 0.0148 40.4699 25.7100
671 CA GLY 100 0.0165 41.3744 26.2200
675 CA GLN 101 0.0324 49.9708 35.3500
684 CA VAL 102 0.0198 43.1838 22.9300
691 CA LEU 103 0.0114 38.6279 33.5800
699 CA LYS 104 0.0167 41.4711 45.8600
708 CA GLU 105 0.0280 47.5706 44.6000
717 CA LEU 106 0.0169 41.5829 53.3700
725 CA CYS 107 0.0119 38.8924 50.1700
731 CA ASP 108 0.0250 45.9507 37.0800
739 CA LYS 109 0.0437 56.1085 34.7400
748 CA GLU 110 0.0156 40.8625 40.9900
757 CA GLY 111 0.0163 41.2408 25.5400
761 CA LEU 112 0.0102 37.9692 37.9100
769 CA ALA 113 0.0104 38.0720 47.3800
774 CA THR 114 0.0082 36.8872 43.7600
781 CA ARG 115 0.0099 37.8100 46.8500
792 CA PHE 116 0.0100 37.8311 45.6200
803 CA MET 117 0.0122 39.0670 57.2300
811 CA VAL 118 0.0274 47.2730 41.7100
818 CA ALA 119 0.0290 48.1588 40.4000
823 CA PRO 120 0.0772 74.2208 47.4400
830 CA GLY 121 0.0825 77.0612 63.2700
834 CA GLN 122 0.0362 52.0588 70.7400
843 CA SER 123 0.0287 47.9939 83.5600
849 CA THR 124 0.0138 39.9284 76.9500
856 CA GLY 125 0.0117 38.7553 69.5400
860 CA THR 126 0.0111 38.4369 42.9400
867 CA CYS 127 0.0123 39.1130 27.2000
873 CA ALA 128 0.0118 38.8431 28.2700
878 CA VAL 129 0.0145 40.3005 29.2200
885 CA LEU 130 0.0197 43.1190 24.9500
893 CA ILE 131 0.0288 48.0343 35.3000
901 CA ASN 132 0.0571 63.3292 69.8400
909 CA GLU 133 0.0853 78.5942 92.4300
918 CA LYS 134 0.0506 59.8040 67.4200
927 CA GLU 135 0.0518 60.4998 59.3400
936 CA ARG 136 0.0314 49.4554 40.2200
947 CA THR 137 0.0319 49.7063 35.0500
954 CA LEU 138 0.0232 45.0059 27.9600
962 CA CYS 139 0.0215 44.0536 43.4700
968 CA THR 140 0.0208 43.7031 47.9500
975 CA HIS 141 0.0203 43.4369 75.0400
985 CA LEU 142 0.0168 41.5165 89.2200
993 CA GLY 143 0.0208 43.6855 71.2900
997 CA ALA 144 0.0173 41.8254 70.0100
1002 CA CYS 145 0.0131 39.5474 64.1900
1008 CA GLY 146 0.0170 41.6720 73.2500
1012 CA SER 147 0.0179 42.1258 71.1900
1018 CA PHE 148 0.0138 39.9222 50.8400
1029 CA ARG 149 0.0202 43.3843 71.6900
1040 CA ILE 150 0.0136 39.7854 86.8400
1048 CA PRO 151 0.0187 42.5710 54.2300
1055 CA GLU 152 0.0551 62.2626 57.0600
1064 CA ASP 153 0.0360 51.9434 59.8500
1072 CA TRP 154 0.0145 40.3065 52.5100
1086 CA THR 155 0.0162 41.2100 56.1700
1093 CA THR 156 0.0257 46.3701 54.0100
1100 CA PHE 157 0.0172 41.7476 55.6000
1111 CA ALA 158 0.0136 39.8198 59.0800
1116 CA SER 159 0.0281 47.6506 58.2100
1122 CA GLY 160 0.0204 43.4763 32.7900
1126 CA ALA 161 0.0126 39.2605 22.0400
1131 CA LEU 162 0.0132 39.5723 25.1500
1139 CA ILE 163 0.0073 36.4125 38.5400
1147 CA PHE 164 0.0047 34.9680 27.4000
1158 CA TYR 165 0.0038 34.5210 29.1900
1170 CA ALA 166 0.0051 35.2173 44.9700
1175 CA THR 167 0.0065 35.9506 45.9200
1182 CA ALA 168 0.0093 37.5019 43.1200
1187 CA TYR 169 0.0123 39.1112 22.3600
1199 CA THR 170 0.0113 38.5866 26.1700
1206 CA LEU 171 0.0137 39.8705 28.2300
1214 CA THR 172 0.0189 42.6507 34.4500
1221 CA ALA 173 0.0211 43.8543 45.4800
1226 CA THR 174 0.0219 44.2700 48.6400
1233 CA PRO 175 0.0171 41.7003 26.8500
1240 CA LYS 176 0.0210 43.8202 13.3300
1249 CA ASN 177 0.0116 38.7355 36.0200
1257 CA ALA 178 0.0092 37.4301 36.7200
1262 CA LEU 179 0.0112 38.5063 30.5200
1270 CA GLU 180 0.0122 39.0498 32.1300
1279 CA VAL 181 0.0090 37.3156 24.3000
1286 CA ALA 182 0.0098 37.7230 38.8200
1291 CA GLY 183 0.0162 41.2062 48.6300
1295 CA TYR 184 0.0169 41.5658 57.8600
1307 CA ALA 185 0.0136 39.7908 56.1700
1312 CA HIS 186 0.0235 45.1715 32.9800
1322 CA GLY 187 0.0409 54.5882 49.7800
1326 CA ILE 188 0.0492 59.0505 75.0900
1334 CA PRO 189 0.0510 60.0435 88.7000
1341 CA ASN 190 0.0512 60.1386 60.6700
1349 CA ALA 191 0.0168 41.5281 56.0200
1354 CA ILE 192 0.0071 36.2774 58.4700
1362 CA PHE 193 0.0057 35.5298 39.0700
1373 CA THR 194 0.0045 34.8579 28.2700
1380 CA LEU 195 0.0053 35.3254 32.6600
1388 CA ASN 196 0.0067 36.0700 42.8200
1396 CA LEU 197 0.0097 37.6956 27.6400
1404 CA SER 198 0.0152 40.6441 30.8500
1410 CA ALA 199 0.0237 45.2460 28.3200
1415 CA PRO 200 0.0299 48.6177 49.6100
1422 CA PHE 201 0.0305 48.9557 55.5800
1433 CA CYS 202 0.0197 43.0934 59.4000
1439 CA VAL 203 0.0196 43.0716 43.2500
1446 CA GLU 204 0.0327 50.1294 51.9300
1455 CA LEU 205 0.0371 52.5049 48.6800
1463 CA TYR 206 0.0235 45.1490 63.0100
1475 CA LYS 207 0.0277 47.4083 68.9600
1484 CA ASP 208 0.0533 61.2647 69.6100
1492 CA ALA 209 0.0290 48.1441 48.7200
1497 CA MET 210 0.0172 41.7674 42.7400
1505 CA GLN 211 0.0247 45.8339 42.0400
1514 CA SER 212 0.0195 42.9875 53.5000
1520 CA LEU 213 0.0128 39.3550 38.2400
1528 CA LEU 214 0.0153 40.6997 29.3600
1536 CA LEU 215 0.0193 42.8980 44.6600
1544 CA HIS 216 0.0120 38.9297 53.1700
1554 CA THR 217 0.0087 37.1772 40.1900
1561 CA ASN 218 0.0072 36.3252 42.2300
1569 CA ILE 219 0.0060 35.6766 52.5200
1577 CA LEU 220 0.0057 35.5066 38.3500
1585 CA PHE 221 0.0059 35.6490 31.0300
1596 CA GLY 222 0.0121 38.9768 53.7300
1600 CA ASN 223 0.0182 42.3069 43.1000
1608 CA GLU 224 0.0284 47.7953 46.0200
1617 CA GLU 225 0.0354 51.5793 53.1700
1626 CA GLU 226 0.0233 45.0691 52.5800
1635 CA PHE 227 0.0186 42.5277 54.5000
1646 CA ALA 228 0.0341 50.9099 44.2300
1651 CA HIS 229 0.0333 50.4777 48.8500
1661 CA LEU 230 0.0248 45.8825 39.0300
1669 CA ALA 231 0.0339 50.8108 39.5700
1674 CA LYS 232 0.0513 60.2255 59.5000
1683 CA VAL 233 0.0445 56.5135 52.2000
1690 CA HIS 234 0.0711 70.9263 70.7700
1700 CA ASN 235 0.1478 112.4230 64.6100
1708 CA LEU 236 0.1098 91.8473 67.9000
1716 CA VAL 237 0.1669 122.7723 80.9200
1723 CA ALA 238 0.1654 121.9639 81.4100
1728 CA LYS 241 0.0444 56.4916 34.8600
1733 CA ALA 243 0.1000 86.5650 54.0700
1738 CA LEU 244 0.0354 51.5782 51.3300
1743 CA SER 245 0.0217 44.1736 45.8100
1748 CA ASN 248 0.0281 47.6527 32.6300
1753 CA LYS 249 0.0329 50.2691 48.0300
1758 CA GLU 250 0.0968 84.8099 66.2200
1763 CA HIS 251 0.0716 71.1827 66.6400
1768 CA ALA 252 0.0998 86.4349 66.7700
1773 CA VAL 253 0.0559 62.6716 71.3100
1778 CA GLU 254 0.0492 59.0423 73.5200
1783 CA GLY 270 0.0220 44.3482 92.4500
1787 CA ALA 271 0.0136 39.7830 80.0900
1792 CA THR 272 0.0159 41.0579 50.1000
1799 CA LYS 273 0.0123 39.0913 50.0000
1808 CA LEU 274 0.0079 36.7332 52.7200
1816 CA VAL 275 0.0088 37.1979 58.4200
1823 CA VAL 276 0.0085 37.0325 49.2100
1830 CA MET 277 0.0124 39.1647 38.4100
1838 CA THR 278 0.0174 41.8384 37.2000
1845 CA ARG 279 0.0258 46.4305 63.2700
1856 CA GLY 280 0.0645 67.3500 81.1100
1860 CA HIS 281 0.0555 62.4674 77.2600
1870 CA ASN 282 0.0433 55.8925 36.5900
1878 CA PRO 283 0.0282 47.6965 25.1900
1885 CA VAL 284 0.0167 41.4954 30.5800
1892 CA ILE 285 0.0163 41.2734 22.4000
1900 CA ALA 286 0.0135 39.7453 40.9600
1905 CA ALA 287 0.0160 41.1248 64.6200
1910 CA GLU 288 0.0209 43.7314 56.1300
1919 CA GLN 289 0.0271 47.1114 53.6400
1928 CA THR 290 0.0820 76.8407 69.5200
1935 CA ALA 291 0.1915 136.0699 64.4500
1940 CA ASP 292 0.2909 189.8797 75.6000
1948 CA GLY 293 0.1839 131.9473 87.3300
1952 CA THR 294 0.1127 93.4464 70.2200
1959 CA VAL 295 0.0686 69.5423 30.6200
1966 CA VAL 296 0.0419 55.1078 52.1600
1973 CA VAL 297 0.0339 50.7759 56.6900
1980 CA HIS 298 0.0182 42.2827 57.3700
1990 CA GLU 299 0.0220 44.3483 48.4500
1999 CA VAL 300 0.0204 43.4822 36.0800
2006 CA GLY 301 0.0290 48.1162 54.4400
2010 CA VAL 302 0.0388 53.4505 37.3700
2017 CA PRO 303 0.0654 67.8182 78.5500
2024 CA VAL 304 0.0548 62.1179 95.1400
2031 CA VAL 305 0.1057 89.6348 96.1600
2038 CA ALA 306 0.1019 87.5881 90.4300
2043 CA ALA 307 0.1236 99.3375 84.4300
2048 CA GLU 308 0.0896 80.9074 87.2400
2057 CA LYS 309 0.0512 60.1462 93.9900
2066 CA ILE 310 0.0396 53.8809 90.9500
2074 CA VAL 311 0.0425 55.4507 71.4900
2081 CA ASP 312 0.0296 48.4434 60.5700
2089 CA THR 313 0.0509 60.0070 49.2200
2096 CA ASN 314 0.0282 47.6872 37.5900
2104 CA GLY 315 0.0153 40.7299 34.4900
2108 CA ALA 316 0.0137 39.8385 24.4100
2113 CA GLY 317 0.0130 39.4782 44.2900
2117 CA ASP 318 0.0087 37.1346 16.5700
2125 CA ALA 319 0.0081 36.8276 37.0600
2130 CA PHE 320 0.0073 36.3775 36.5400
2141 CA VAL 321 0.0057 35.5346 27.8300
2148 CA GLY 322 0.0067 36.0448 47.5900
2152 CA GLY 323 0.0069 36.1885 49.1500
2156 CA PHE 324 0.0053 35.3409 43.7800
2167 CA LEU 325 0.0053 35.3207 37.8200
2175 CA TYR 326 0.0089 37.2866 39.3700
2187 CA GLY 327 0.0118 38.8380 34.9500
2191 CA LEU 328 0.0097 37.7025 46.8900
2199 CA SER 329 0.0135 39.7443 51.3900
2205 CA GLN 330 0.0245 45.7126 29.5700
2214 CA GLY 331 0.0455 57.0526 33.5000
2218 CA LYS 332 0.0196 43.0472 33.1800
2227 CA THR 333 0.0202 43.3637 45.0400
2234 CA VAL 334 0.0154 40.7894 47.2700
2241 CA LYS 335 0.0171 41.7200 34.3800
2250 CA GLN 336 0.0192 42.8189 41.8000
2259 CA CYS 337 0.0108 38.2957 42.0900
2265 CA ILE 338 0.0102 37.9718 35.3700
2273 CA MET 339 0.0157 40.9358 49.2400
2281 CA CYS 340 0.0112 38.4927 38.0200
2287 CA GLY 341 0.0097 37.7192 48.9400
2291 CA ASN 342 0.0147 40.3954 39.8700
2299 CA ALA 343 0.0170 41.6579 41.7800
2304 CA CYS 344 0.0119 38.9114 42.2900
2310 CA ALA 345 0.0136 39.8240 33.4700
2315 CA GLN 346 0.0204 43.4896 33.0800
2324 CA ASP 347 0.0234 45.1306 43.9000
2332 CA VAL 348 0.0155 40.8239 44.4600
2339 CA ILE 349 0.0192 42.8364 65.3800
2347 CA GLN 350 0.0258 46.3943 56.0200
2356 CA HIS 351 0.0278 47.4805 88.7000
2366 CA VAL 352 0.0184 42.4224 92.6000
2373 CA GLY 353 0.0157 40.9282 76.1300
2377 CA PHE 354 0.0106 38.2017 70.1400
2388 CA SER 355 0.0159 41.0443 55.2400
2394 CA LEU 356 0.0311 49.2727 54.7100

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: October 18th, 2018.

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