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

* 2QLE_unrelaxed_rank_001_alphafold2_ptm_model_5_seed_000 *

B-factor analysis for ID 240220090021146876

Overall B-factor prediction

Correlation= -0.785 for 226 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 GLY 1 0.0213 97.3688 90.1900
6 CA GLU 2 0.0195 97.1741 91.3100
15 CA GLU 3 0.0425 99.6550 94.5600
24 CA LEU 4 0.0214 97.3820 96.8100
32 CA PHE 5 0.0146 96.6457 97.0600
43 CA THR 6 0.0315 98.4637 92.8100
50 CA GLY 7 0.0274 98.0221 95.0600
54 CA VAL 8 0.0262 97.8931 98.3800
61 CA VAL 9 0.0130 96.4717 98.6200
68 CA PRO 10 0.0154 96.7241 98.6900
75 CA ILE 11 0.0093 96.0735 98.7500
83 CA LEU 12 0.0097 96.1186 98.7500
91 CA VAL 13 0.0088 96.0166 98.8100
98 CA GLU 14 0.0109 96.2394 98.7500
107 CA LEU 15 0.0098 96.1244 98.8800
115 CA ASP 16 0.0118 96.3402 98.8800
123 CA GLY 17 0.0162 96.8154 98.8100
127 CA ASP 18 0.0152 96.7086 98.8100
135 CA VAL 19 0.0125 96.4175 98.7500
142 CA ASN 20 0.0188 97.0913 98.3800
150 CA GLY 21 0.0363 98.9821 98.2500
154 CA HIS 22 0.0264 97.9168 98.3800
164 CA LYS 23 0.0293 98.2280 98.6900
173 CA PHE 24 0.0170 96.9051 98.8100
184 CA SER 25 0.0131 96.4775 98.8100
190 CA VAL 26 0.0100 96.1510 98.8100
197 CA SER 27 0.0109 96.2396 98.6200
203 CA GLY 28 0.0106 96.2106 98.5600
207 CA GLU 29 0.0128 96.4506 98.6200
216 CA GLY 30 0.0185 97.0679 98.5600
220 CA GLU 31 0.0145 96.6294 98.6900
229 CA GLY 32 0.0098 96.1269 98.6200
233 CA ASP 33 0.0125 96.4181 98.3800
241 CA ALA 34 0.0109 96.2468 97.8100
246 CA THR 35 0.0268 97.9599 96.1200
253 CA TYR 36 0.0200 97.2303 96.9400
265 CA GLY 37 0.0104 96.1866 97.8800
269 CA LYS 38 0.0104 96.1879 98.5600
278 CA LEU 39 0.0087 96.0070 98.2500
286 CA THR 40 0.0105 96.2031 98.5000
293 CA LEU 41 0.0090 96.0431 98.6200
301 CA LYS 42 0.0085 95.9824 98.7500
310 CA PHE 43 0.0074 95.8668 98.7500
321 CA ILE 44 0.0093 96.0661 98.7500
329 CA CYS 45 0.0114 96.3011 98.7500
335 CA THR 46 0.0209 97.3269 98.5600
342 CA THR 47 0.0303 98.3389 98.3100
349 CA GLY 48 0.0310 98.4170 97.5000
353 CA LYS 49 0.0269 97.9761 98.1900
362 CA LEU 50 0.0124 96.4046 98.6200
370 CA PRO 51 0.0111 96.2609 98.5000
377 CA VAL 52 0.0084 95.9762 98.7500
384 CA PRO 53 0.0060 95.7122 98.6200
391 CA TRP 54 0.0056 95.6712 98.6200
405 CA PRO 55 0.0051 95.6192 98.4400
412 CA THR 56 0.0051 95.6150 98.5000
419 CA LEU 57 0.0046 95.5683 98.5000
427 CA VAL 58 0.0049 95.6009 97.5000
434 CA THR 59 0.0054 95.6465 92.6900
441 CA THR 60 0.0051 95.6227 86.8800
448 CA PHE 61 0.0044 95.5368 87.5600
459 CA VAL 62 0.0046 95.5674 83.9400
466 CA GLN 63 0.0041 95.5068 91.0000
475 CA CYS 64 0.0039 95.4898 95.1900
481 CA PHE 65 0.0053 95.6374 97.3100
492 CA SER 66 0.0062 95.7384 97.9400
498 CA ARG 67 0.0102 96.1726 98.2500
509 CA TYR 68 0.0096 96.1029 97.8800
521 CA PRO 69 0.0279 98.0817 96.7500
528 CA ASP 70 0.0475 100.1989 95.0000
536 CA HIS 71 0.0334 98.6750 95.3800
546 CA MET 72 0.0165 96.8514 97.5000
554 CA LYS 73 0.0176 96.9699 96.1200
563 CA ARG 74 0.0216 97.3958 96.5000
574 CA HIS 75 0.0084 95.9687 97.8100
584 CA ASP 76 0.0065 95.7649 98.1200
592 CA PHE 77 0.0049 95.5980 98.6200
603 CA PHE 78 0.0047 95.5748 98.4400
614 CA LYS 79 0.0066 95.7778 98.2500
623 CA SER 80 0.0080 95.9318 98.2500
629 CA ALA 81 0.0085 95.9871 98.2500
634 CA MET 82 0.0091 96.0547 98.0600
642 CA PRO 83 0.0159 96.7878 97.7500
649 CA GLU 84 0.0185 97.0647 98.3100
658 CA GLY 85 0.0078 95.9101 98.5000
662 CA TYR 86 0.0067 95.7949 98.7500
674 CA VAL 87 0.0080 95.9300 98.7500
681 CA GLN 88 0.0065 95.7704 98.7500
690 CA GLU 89 0.0081 95.9409 98.5600
699 CA ARG 90 0.0082 95.9541 98.3800
710 CA THR 91 0.0102 96.1675 98.6200
717 CA ILE 92 0.0082 95.9569 98.8100
725 CA PHE 93 0.0098 96.1271 98.8800
736 CA PHE 94 0.0095 96.0952 98.8100
747 CA LYS 95 0.0237 97.6278 98.6200
756 CA ASP 96 0.0558 101.0888 98.1200
764 CA ASP 97 0.0151 96.7006 98.4400
772 CA GLY 98 0.0134 96.5163 98.6900
776 CA ASN 99 0.0094 96.0766 98.8800
784 CA TYR 100 0.0083 95.9683 98.8100
796 CA LYS 101 0.0103 96.1840 98.8100
805 CA THR 102 0.0103 96.1799 98.7500
812 CA ARG 103 0.0128 96.4485 98.6900
823 CA ALA 104 0.0089 96.0234 98.8100
828 CA GLU 105 0.0094 96.0806 98.7500
837 CA VAL 106 0.0074 95.8691 98.7500
844 CA LYS 107 0.0105 96.2033 98.6900
853 CA PHE 108 0.0116 96.3214 98.5000
864 CA GLU 109 0.0330 98.6289 98.1900
873 CA GLY 110 0.0637 101.9415 96.8100
877 CA ASP 111 0.0497 100.4367 96.8800
885 CA THR 112 0.0190 97.1127 98.5000
892 CA LEU 113 0.0081 95.9406 98.7500
900 CA VAL 114 0.0088 96.0209 98.8100
907 CA ASN 115 0.0080 95.9305 98.7500
915 CA ARG 116 0.0107 96.2220 98.7500
926 CA ILE 117 0.0094 96.0806 98.8800
934 CA GLU 118 0.0147 96.6544 98.8800
943 CA LEU 119 0.0114 96.3012 98.8800
951 CA LYS 120 0.0119 96.3467 98.8800
960 CA GLY 121 0.0122 96.3792 98.8100
964 CA ILE 122 0.0165 96.8464 98.8100
972 CA ASP 123 0.0306 98.3728 98.5600
980 CA PHE 124 0.0159 96.7828 98.8100
991 CA LYS 125 0.0289 98.1814 98.6200
1000 CA GLU 126 0.0341 98.7529 97.5000
1009 CA ASP 127 0.0515 100.6208 96.8800
1017 CA GLY 128 0.0280 98.0857 98.3100
1021 CA ASN 129 0.0113 96.2819 98.5600
1029 CA ILE 130 0.0087 96.0096 98.5600
1037 CA LEU 131 0.0137 96.5476 98.5600
1045 CA GLY 132 0.0199 97.2180 98.0600
1049 CA HIS 133 0.0154 96.7329 98.1900
1059 CA LYS 134 0.0180 97.0133 98.3800
1068 CA LEU 135 0.0117 96.3281 98.6200
1076 CA GLU 136 0.0177 96.9803 98.5000
1085 CA TYR 137 0.0107 96.2268 98.1200
1097 CA ASN 138 0.0111 96.2664 97.6200
1105 CA TYR 139 0.0097 96.1113 97.7500
1117 CA ASN 140 0.0111 96.2620 97.2500
1125 CA SER 141 0.0124 96.4023 96.8800
1131 CA HIS 142 0.0137 96.5468 97.8100
1141 CA ASN 143 0.0121 96.3733 98.0600
1149 CA VAL 144 0.0098 96.1203 98.5000
1156 CA TYR 145 0.0096 96.1074 98.5000
1168 CA ILE 146 0.0085 95.9852 98.6900
1176 CA MET 147 0.0133 96.5039 98.3800
1184 CA ALA 148 0.0144 96.6164 98.5000
1189 CA ASP 149 0.0239 97.6474 98.1200
1197 CA LYS 150 0.0417 99.5715 96.2500
1206 CA GLN 151 0.0656 102.1443 96.1900
1215 CA LYS 152 0.0372 99.0870 96.3100
1224 CA ASN 153 0.0185 97.0661 97.5600
1232 CA GLY 154 0.0115 96.3033 98.3800
1236 CA ILE 155 0.0079 95.9171 98.7500
1244 CA LYS 156 0.0109 96.2456 98.4400
1253 CA VAL 157 0.0083 95.9596 98.6200
1260 CA ASN 158 0.0100 96.1476 98.4400
1268 CA PHE 159 0.0101 96.1606 98.5000
1279 CA LYS 160 0.0099 96.1326 98.2500
1288 CA ILE 161 0.0100 96.1443 98.3800
1296 CA ARG 162 0.0116 96.3195 98.1900
1307 CA HIS 163 0.0086 95.9985 98.5600
1317 CA ASN 164 0.0129 96.4618 98.5600
1325 CA ILE 165 0.0194 97.1617 98.5000
1333 CA GLU 166 0.0353 98.8795 97.4400
1342 CA ASP 167 0.0908 104.8707 97.1200
1350 CA GLY 168 0.0820 103.9194 96.8100
1354 CA SER 169 0.0428 99.6817 97.8800
1360 CA VAL 170 0.0230 97.5476 98.2500
1367 CA GLN 171 0.0112 96.2785 98.6900
1376 CA LEU 172 0.0118 96.3450 98.6900
1384 CA ALA 173 0.0093 96.0674 98.7500
1389 CA ASP 174 0.0106 96.2159 98.7500
1397 CA HIS 175 0.0083 95.9644 98.6900
1407 CA TYR 176 0.0112 96.2813 98.6200
1419 CA GLN 177 0.0084 95.9754 98.5600
1428 CA GLN 178 0.0081 95.9446 98.5000
1437 CA ASN 179 0.0068 95.8030 98.7500
1445 CA THR 180 0.0088 96.0195 98.6200
1452 CA PRO 181 0.0109 96.2384 98.5000
1459 CA ILE 182 0.0160 96.7992 98.4400
1467 CA GLY 183 0.0656 102.1460 96.2500
1471 CA ASP 184 0.0904 104.8224 93.1200
1479 CA GLY 185 0.0915 104.9394 91.5600
1483 CA PRO 186 0.0761 103.2778 94.2500
1490 CA VAL 187 0.0138 96.5603 98.0000
1497 CA LEU 188 0.0116 96.3245 98.2500
1505 CA LEU 189 0.0112 96.2773 98.1200
1513 CA PRO 190 0.0108 96.2313 97.8100
1520 CA ASP 191 0.0193 97.1532 97.3100
1528 CA ASN 192 0.0200 97.2297 98.0000
1536 CA HIS 193 0.0111 96.2603 98.4400
1546 CA TYR 194 0.0107 96.2225 98.5000
1558 CA LEU 195 0.0085 95.9876 98.6200
1566 CA SER 196 0.0112 96.2729 98.2500
1572 CA THR 197 0.0123 96.3980 98.3100
1579 CA GLN 198 0.0139 96.5644 97.9400
1588 CA VAL 199 0.0111 96.2667 98.1200
1595 CA ALA 200 0.0115 96.3136 98.2500
1600 CA LEU 201 0.0102 96.1732 98.6200
1608 CA SER 202 0.0149 96.6750 98.5600
1614 CA LYS 203 0.0292 98.2187 98.1200
1623 CA ASP 204 0.0370 99.0577 97.9400
1631 CA PRO 205 0.1400 110.1779 97.1900
1638 CA ASN 206 0.1117 107.1296 97.6900
1646 CA GLU 207 0.0461 100.0387 97.8100
1655 CA LYS 208 0.0781 103.4983 97.3800
1664 CA ARG 209 0.0270 97.9819 98.3100
1675 CA ASP 210 0.0173 96.9387 98.6200
1683 CA HIS 211 0.0101 96.1523 98.7500
1693 CA MET 212 0.0076 95.8924 98.6200
1701 CA VAL 213 0.0094 96.0769 98.6900
1708 CA LEU 214 0.0087 96.0021 98.5600
1716 CA LEU 215 0.0123 96.3980 98.5000
1724 CA GLU 216 0.0097 96.1090 98.3800
1733 CA PHE 217 0.0102 96.1689 98.4400
1744 CA VAL 218 0.0095 96.0926 98.5000
1751 CA THR 219 0.0101 96.1541 98.5000
1758 CA ALA 220 0.0094 96.0823 98.4400
1763 CA ALA 221 0.0162 96.8141 97.3800
1768 CA GLY 222 0.0246 97.7190 95.3800
1772 CA ILE 223 0.0356 98.9109 92.2500
1780 CA THR 224 0.0905 104.8375 82.8800
1787 CA HIS 225 0.1811 114.6121 69.1900
1797 CA GLY 226 0.4744 146.2787 55.3400

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.