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

* AF-1A0L_recycle_9 *

B-factor analysis for ID 2402070223221789221

Overall B-factor prediction

Correlation= -0.490 for 228 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 GLN 1 0.0859 90.6622 78.9400
11 CA VAL 2 0.0509 88.7148 85.9400
18 CA TYR 3 0.0311 87.6152 89.6200
30 CA ASN 4 0.0325 87.6949 92.0000
38 CA ILE 5 0.0177 86.8715 92.6200
46 CA THR 6 0.0173 86.8483 94.8100
53 CA TRP 7 0.0106 86.4787 96.1900
67 CA GLU 8 0.0119 86.5503 97.5000
76 CA VAL 9 0.0102 86.4545 98.3100
83 CA THR 10 0.0103 86.4573 98.1900
90 CA ASN 11 0.0105 86.4699 97.3100
98 CA GLY 12 0.0151 86.7293 95.1200
102 CA ASP 13 0.0274 87.4116 94.8800
110 CA ARG 14 0.0211 87.0595 95.4400
121 CA GLU 15 0.0184 86.9076 96.6200
130 CA THR 16 0.0166 86.8126 97.6900
137 CA VAL 17 0.0133 86.6244 97.8100
144 CA TRP 18 0.0130 86.6096 98.0000
158 CA ALA 19 0.0171 86.8400 97.3800
163 CA ILE 20 0.0180 86.8884 95.6200
171 CA SER 21 0.0279 87.4356 94.1900
177 CA GLY 22 0.0323 87.6813 91.8800
181 CA ASN 23 0.0388 88.0412 91.9400
189 CA HIS 24 0.0320 87.6641 88.8800
199 CA PRO 25 0.0363 87.9031 87.4400
206 CA LEU 26 0.0304 87.5786 82.0000
214 CA TRP 27 0.0248 87.2654 80.8800
228 CA THR 28 0.0276 87.4195 84.5600
235 CA TRP 29 0.0192 86.9522 81.6900
249 CA TRP 30 0.0219 87.1065 76.1900
263 CA PRO 31 0.0203 87.0168 83.1200
270 CA VAL 32 0.0169 86.8258 95.2500
277 CA LEU 33 0.0117 86.5404 97.6200
285 CA THR 34 0.0134 86.6329 97.9400
292 CA PRO 35 0.0109 86.4924 97.9400
299 CA ASP 36 0.0089 86.3804 98.0000
307 CA LEU 37 0.0068 86.2670 97.5600
315 CA CYS 38 0.0066 86.2540 96.9400
321 CA MET 39 0.0082 86.3454 97.3800
329 CA LEU 40 0.0075 86.3043 97.6900
337 CA ALA 41 0.0097 86.4261 95.8100
342 CA LEU 42 0.0117 86.5396 95.8100
350 CA SER 43 0.0190 86.9453 92.1200
356 CA GLY 44 0.0181 86.8959 88.6200
360 CA PRO 45 0.0266 87.3647 88.7500
367 CA PRO 46 0.0292 87.5123 88.5600
374 CA HIS 47 0.0150 86.7234 88.0000
384 CA TRP 48 0.0099 86.4400 91.0600
398 CA GLY 49 0.0138 86.6549 89.8100
402 CA LEU 50 0.0134 86.6298 93.1200
410 CA GLU 51 0.0306 87.5868 91.6900
419 CA TYR 52 0.0560 89.0001 91.0000
431 CA GLN 53 0.0245 87.2473 94.2500
440 CA ALA 54 0.0289 87.4912 94.5000
445 CA PRO 55 0.0219 87.1054 94.1900
452 CA TYR 56 0.0278 87.4334 93.8800
464 CA SER 57 0.0264 87.3523 94.4400
470 CA SER 58 0.0359 87.8802 94.1200
476 CA PRO 59 0.0185 86.9148 93.0600
483 CA PRO 60 0.0195 86.9704 88.6200
490 CA GLY 61 0.0334 87.7412 73.8100
494 CA PRO 62 0.0371 87.9505 71.1900
501 CA PRO 63 0.0228 87.1523 67.5600
508 CA CYS 64 0.0222 87.1209 68.5600
514 CA CYS 65 0.0447 88.3736 67.5000
520 CA SER 66 0.0967 91.2614 60.6600
526 CA GLY 67 0.4564 111.2458 53.6600
530 CA SER 68 0.5521 116.5619 49.9100
536 CA SER 69 0.2737 101.0916 45.4400
542 CA GLY 70 0.2197 98.0936 51.5900
546 CA SER 71 0.2814 101.5241 50.9100
552 CA SER 72 0.2242 98.3461 55.5300
558 CA ALA 73 0.3142 103.3438 51.8400
563 CA GLY 74 0.1473 94.0703 55.0900
567 CA CYS 75 0.0486 88.5877 62.2500
573 CA SER 76 0.0610 89.2795 58.2500
579 CA ARG 77 0.0448 88.3782 63.2200
590 CA ASP 78 0.0221 87.1169 69.3800
598 CA CYS 79 0.0328 87.7128 69.1200
604 CA ASP 80 0.0553 88.9590 70.3100
612 CA GLU 81 0.0391 88.0626 75.0000
621 CA PRO 82 0.0414 88.1891 77.8100
628 CA LEU 83 0.0155 86.7475 83.0600
636 CA THR 84 0.0189 86.9400 81.0600
643 CA SER 85 0.0205 87.0268 76.5600
649 CA LEU 86 0.0285 87.4721 74.5600
657 CA THR 87 0.0149 86.7163 76.6200
664 CA PRO 88 0.0100 86.4422 78.7500
671 CA ARG 89 0.0083 86.3481 84.6900
682 CA CYS 90 0.0080 86.3345 92.0000
688 CA ASN 91 0.0120 86.5554 87.0600
696 CA THR 92 0.0117 86.5376 87.3800
703 CA ALA 93 0.0130 86.6106 88.5600
708 CA TRP 94 0.0114 86.5221 86.4400
722 CA ASN 95 0.0076 86.3128 89.6200
730 CA ARG 96 0.0076 86.3076 92.1900
741 CA LEU 97 0.0094 86.4127 90.6200
749 CA LYS 98 0.0096 86.4204 90.0600
758 CA LEU 99 0.0070 86.2767 93.6200
766 CA ASP 100 0.0081 86.3393 94.1200
774 CA GLN 101 0.0114 86.5219 92.0000
783 CA VAL 102 0.0111 86.5045 93.1200
790 CA THR 103 0.0100 86.4460 95.2500
797 CA HIS 104 0.0138 86.6565 93.6200
807 CA LYS 105 0.0276 87.4239 91.8800
816 CA SER 106 0.0400 88.1102 84.8100
822 CA SER 107 0.0341 87.7818 88.5600
828 CA GLU 108 0.0157 86.7580 91.1900
837 CA GLY 109 0.0083 86.3473 95.1900
841 CA PHE 110 0.0070 86.2789 97.0600
852 CA TYR 111 0.0064 86.2445 97.6200
864 CA VAL 112 0.0061 86.2263 98.3100
871 CA CYS 113 0.0064 86.2429 97.5000
877 CA PRO 114 0.0073 86.2931 96.8100
884 CA GLY 115 0.0107 86.4804 94.5600
888 CA SER 116 0.0163 86.7953 86.1900
894 CA HIS 117 0.0174 86.8561 89.3800
904 CA ARG 118 0.0169 86.8274 86.5600
915 CA PRO 119 0.0640 89.4445 83.6900
922 CA ARG 120 0.1045 91.6963 76.5600
933 CA GLU 121 0.0954 91.1905 74.8100
942 CA ALA 122 0.0482 88.5659 80.0600
947 CA LYS 123 0.0699 89.7703 78.2500
956 CA SER 124 0.0534 88.8545 90.5600
962 CA CYS 125 0.0192 86.9527 93.1900
968 CA GLY 126 0.0253 87.2937 93.5000
972 CA GLY 127 0.0265 87.3614 94.3800
976 CA PRO 128 0.0263 87.3507 94.2500
983 CA ASP 129 0.0666 89.5893 93.5600
991 CA SER 130 0.0243 87.2359 94.5000
997 CA PHE 131 0.0092 86.3968 95.7500
1008 CA TYR 132 0.0093 86.4060 96.3800
1020 CA CYS 133 0.0111 86.5058 95.2500
1026 CA ALA 134 0.0231 87.1732 94.1200
1031 CA SER 135 0.0382 88.0108 92.7500
1037 CA TRP 136 0.0324 87.6902 90.4400
1051 CA GLY 137 0.0262 87.3407 91.5600
1055 CA CYS 138 0.0131 86.6167 95.2500
1061 CA GLU 139 0.0091 86.3942 96.3800
1070 CA THR 140 0.0096 86.4236 97.1900
1077 CA THR 141 0.0091 86.3942 98.0000
1084 CA GLY 142 0.0095 86.4143 97.0000
1088 CA ARG 143 0.0114 86.5198 96.0600
1099 CA VAL 144 0.0120 86.5568 95.5000
1106 CA TYR 145 0.0278 87.4344 94.5000
1118 CA TRP 146 0.0277 87.4283 94.5600
1132 CA LYS 147 0.0297 87.5364 95.7500
1141 CA PRO 148 0.0206 87.0323 95.7500
1148 CA SER 149 0.0494 88.6328 95.9400
1154 CA SER 150 0.0247 87.2591 94.3800
1160 CA SER 151 0.0416 88.1992 93.0000
1166 CA TRP 152 0.0249 87.2697 94.0600
1180 CA ASP 153 0.0106 86.4767 96.6900
1188 CA TYR 154 0.0103 86.4623 97.0600
1200 CA ILE 155 0.0091 86.3934 97.7500
1208 CA THR 156 0.0106 86.4740 98.2500
1215 CA VAL 157 0.0101 86.4498 98.3800
1222 CA ASP 158 0.0115 86.5285 97.8800
1230 CA ASN 159 0.0126 86.5906 97.6900
1238 CA ASN 160 0.0166 86.8113 97.5600
1246 CA LEU 161 0.0242 87.2334 97.0000
1254 CA THR 162 0.0316 87.6459 95.6900
1261 CA THR 163 0.0262 87.3423 91.8800
1268 CA SER 164 0.0421 88.2271 93.4400
1274 CA GLN 165 0.0371 87.9500 96.0000
1283 CA ALA 166 0.0199 86.9921 93.7500
1288 CA VAL 167 0.0280 87.4419 90.8800
1295 CA GLN 168 0.0403 88.1265 91.1200
1304 CA VAL 169 0.0253 87.2932 94.1200
1311 CA CYS 170 0.0169 86.8276 90.3800
1317 CA LYS 171 0.0319 87.6626 87.1900
1326 CA ASP 172 0.0409 88.1618 89.5600
1334 CA ASN 173 0.0218 87.0966 90.3800
1342 CA LYS 174 0.0245 87.2479 93.9400
1351 CA TRP 175 0.0124 86.5740 95.6900
1365 CA CYS 176 0.0119 86.5497 95.5000
1371 CA ASN 177 0.0082 86.3440 97.1900
1379 CA PRO 178 0.0112 86.5121 98.0000
1386 CA LEU 179 0.0097 86.4250 98.4400
1394 CA ALA 180 0.0113 86.5141 98.1200
1399 CA ILE 181 0.0107 86.4814 98.3100
1407 CA GLN 182 0.0138 86.6537 97.5600
1416 CA PHE 183 0.0129 86.6025 96.5600
1427 CA THR 184 0.0163 86.7923 96.4400
1434 CA ASN 185 0.0460 88.4429 95.0000
1442 CA ALA 186 0.0290 87.5016 95.0000
1447 CA GLY 187 0.0153 86.7395 95.0600
1451 CA LYS 188 0.0187 86.9266 94.0000
1460 CA GLN 189 0.0371 87.9482 92.9400
1469 CA VAL 190 0.0226 87.1456 91.4400
1476 CA THR 191 0.0319 87.6596 90.0600
1483 CA SER 192 0.0241 87.2277 93.2500
1489 CA TRP 193 0.0125 86.5845 94.0600
1503 CA THR 194 0.0185 86.9171 93.5600
1510 CA THR 195 0.0291 87.5052 93.6900
1517 CA GLY 196 0.0131 86.6183 95.3100
1521 CA HIS 197 0.0091 86.3957 97.5000
1531 CA TYR 198 0.0089 86.3820 97.6900
1543 CA TRP 199 0.0058 86.2083 98.4400
1557 CA GLY 200 0.0064 86.2429 98.0000
1561 CA LEU 201 0.0059 86.2173 97.9400
1569 CA ARG 202 0.0064 86.2443 96.3800
1580 CA LEU 203 0.0077 86.3163 95.8800
1588 CA TYR 204 0.0103 86.4628 94.3800
1600 CA VAL 205 0.0173 86.8482 90.6200
1607 CA SER 206 0.0338 87.7662 85.0600
1613 CA GLY 207 0.0701 89.7834 86.0000
1617 CA ARG 208 0.0399 88.1020 88.6900
1628 CA ASP 209 0.0121 86.5623 93.2500
1636 CA PRO 210 0.0110 86.4979 93.7500
1643 CA GLY 211 0.0077 86.3138 94.9400
1647 CA LEU 212 0.0070 86.2741 96.3100
1655 CA THR 213 0.0076 86.3111 97.8100
1662 CA PHE 214 0.0074 86.3006 98.3100
1673 CA GLY 215 0.0080 86.3328 98.1900
1677 CA ILE 216 0.0079 86.3245 97.8800
1685 CA ARG 217 0.0105 86.4694 96.1200
1696 CA LEU 218 0.0109 86.4920 94.9400
1704 CA ARG 219 0.0182 86.9013 93.8100
1715 CA TYR 220 0.0242 87.2329 91.9400
1727 CA GLN 221 0.0566 89.0315 89.4400
1736 CA ASN 222 0.0619 89.3281 84.2500
1744 CA LEU 223 0.0832 90.5109 76.5000
1752 CA GLY 224 0.1399 93.6612 70.1900
1756 CA PRO 225 0.3053 102.8484 64.4400
1763 CA ARG 226 0.3198 103.6560 58.9100
1774 CA VAL 227 1.2320 154.3366 49.6200
1781 CA PRO 228 2.8125 242.1411 51.2500

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.