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

* AF-1P5V_recycle_9 *

B-factor analysis for ID 2402070228301791804

Overall B-factor prediction

Correlation= -0.724 for 196 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 PHE 1 0.8981 177.8380 36.0300
13 CA ALA 2 0.7889 165.2753 24.7300
18 CA SER 3 0.3003 109.0522 35.8800
24 CA LYS 4 0.1976 97.2429 41.9100
33 CA GLU 5 0.1205 88.3637 49.2500
42 CA TYR 6 0.0666 82.1648 60.0300
54 CA GLY 7 0.0463 79.8285 69.6200
58 CA VAL 8 0.0266 77.5639 80.1900
65 CA THR 9 0.0351 78.5418 84.6200
72 CA ILE 10 0.0283 77.7583 86.0600
80 CA GLY 11 0.0446 79.6356 82.3100
84 CA GLU 12 0.0391 79.0044 82.8100
93 CA SER 13 0.0404 79.1535 82.9400
99 CA ARG 14 0.0266 77.5647 88.5600
110 CA ILE 15 0.0192 76.7142 89.6200
118 CA ILE 16 0.0167 76.4287 90.6900
126 CA TYR 17 0.0161 76.3521 89.8800
138 CA PRO 18 0.0200 76.8017 88.5000
145 CA LEU 19 0.0198 76.7871 82.5600
153 CA ASP 20 0.0457 79.7575 74.3100
161 CA ALA 21 0.0500 80.2548 66.3100
166 CA ALA 22 0.3037 109.4461 55.7800
171 CA GLY 23 0.1882 96.1531 59.4100
175 CA VAL 24 0.0447 79.6491 56.2200
182 CA MET 25 0.0317 78.1517 59.8100
190 CA VAL 26 0.0428 79.4274 55.7500
197 CA SER 27 0.0281 77.7381 62.1900
203 CA SER 28 0.0394 79.0402 66.2500
209 CA VAL 29 0.0270 77.6153 82.0000
216 CA VAL 30 0.0333 78.3402 86.3100
223 CA VAL 31 0.0241 77.2776 88.9400
230 CA LYS 32 0.0333 78.3360 89.7500
239 CA ASN 33 0.0342 78.4456 88.1200
247 CA THR 34 0.0559 80.9327 86.1200
254 CA GLN 35 0.0625 81.6940 84.0600
263 CA ASP 36 0.1006 86.0814 86.6900
271 CA TYR 37 0.0790 83.5993 84.4400
283 CA PRO 38 0.0569 81.0473 87.1900
290 CA VAL 39 0.0348 78.5117 86.0000
297 CA LEU 40 0.0343 78.4504 88.2500
305 CA ILE 41 0.0214 76.9707 88.3800
313 CA GLN 42 0.0244 77.3099 90.2500
322 CA SER 43 0.0193 76.7309 91.9400
328 CA ARG 44 0.0246 77.3336 92.3800
339 CA ILE 45 0.0220 77.0364 91.8100
347 CA TYR 46 0.0330 78.3012 87.8100
359 CA ASP 47 0.0383 78.9139 87.8800
367 CA PRO 48 0.0792 83.6181 84.7500
374 CA PHE 49 0.0418 79.3121 88.2500
385 CA VAL 50 0.0236 77.2165 89.1200
392 CA VAL 51 0.0278 77.7057 89.9400
399 CA VAL 52 0.0219 77.0288 91.0600
406 CA THR 53 0.0306 78.0296 89.1900
413 CA PRO 54 0.0344 78.4620 91.3800
420 CA PRO 55 0.0333 78.3374 90.5000
427 CA LEU 56 0.0371 78.7720 90.9400
435 CA PHE 57 0.0355 78.5855 91.7500
446 CA ARG 58 0.0446 79.6338 89.7500
457 CA LEU 59 0.0374 78.8056 90.7500
465 CA ASP 60 0.0631 81.7663 90.6200
473 CA ALA 61 0.0676 82.2862 89.5600
478 CA LYS 62 0.0713 82.7049 87.1900
487 CA GLN 63 0.0624 81.6835 90.6900
496 CA GLN 64 0.0471 79.9292 88.0000
505 CA ASN 65 0.0349 78.5202 81.3800
513 CA SER 66 0.0398 79.0845 75.2500
519 CA SER 67 0.0386 78.9457 76.3800
525 CA LEU 68 0.0233 77.1856 87.1900
533 CA ARG 69 0.0262 77.5171 86.6200
544 CA ILE 70 0.0189 76.6810 88.2500
552 CA ALA 71 0.0254 77.4229 86.2500
557 CA GLN 72 0.0280 77.7217 85.8100
566 CA ALA 73 0.0600 81.4051 84.1200
571 CA GLY 74 0.0655 82.0389 83.6200
575 CA GLY 75 0.0620 81.6408 83.5000
579 CA VAL 76 0.0772 83.3850 85.7500
586 CA PHE 77 0.0306 78.0281 90.3100
597 CA PRO 78 0.0344 78.4614 92.8100
604 CA ARG 79 0.0338 78.3897 93.3800
615 CA ASP 80 0.0385 78.9366 94.0000
623 CA LYS 81 0.0208 76.8938 95.6200
632 CA GLU 82 0.0144 76.1611 95.8100
641 CA SER 83 0.0174 76.5118 94.3100
647 CA LEU 84 0.0176 76.5320 93.7500
655 CA LYS 85 0.0211 76.9282 93.0600
664 CA TRP 86 0.0222 77.0631 92.7500
678 CA LEU 87 0.0176 76.5297 91.6900
686 CA CYS 88 0.0212 76.9485 91.0000
692 CA VAL 89 0.0178 76.5555 88.6200
699 CA LYS 90 0.0250 77.3870 85.8100
708 CA GLY 91 0.0278 77.6991 84.8800
712 CA ILE 92 0.0486 80.0922 80.5600
720 CA PRO 93 0.0733 82.9331 71.2500
727 CA LYS 94 0.1121 87.4000 65.5600
736 CA ASP 95 0.2682 105.3582 63.1900
744 CA VAL 96 0.3998 120.5043 53.2800
751 CA GLY 97 0.6353 147.5935 46.3800
755 CA VAL 98 0.8025 166.8349 40.7500
762 CA PHE 99 0.4265 123.5798 43.2800
773 CA VAL 100 0.3257 111.9784 45.1200
780 CA GLN 101 0.2850 107.2978 40.0000
789 CA PHE 102 0.1675 93.7803 48.0600
800 CA ALA 103 0.1003 86.0463 50.8100
805 CA ILE 104 0.0679 82.3172 58.0300
813 CA ASN 105 0.0427 79.4180 66.0000
821 CA ASN 106 0.0323 78.2172 82.8100
829 CA CYS 107 0.0291 77.8582 89.0000
835 CA ILE 108 0.0263 77.5277 90.4400
843 CA LYS 109 0.0216 76.9871 92.0000
852 CA LEU 110 0.0171 76.4774 92.4400
860 CA LEU 111 0.0145 76.1760 93.5600
868 CA VAL 112 0.0135 76.0549 92.5600
875 CA ARG 113 0.0143 76.1498 93.3800
886 CA PRO 114 0.0197 76.7740 92.7500
893 CA ASN 115 0.0360 78.6438 89.6200
901 CA GLU 116 0.0456 79.7547 92.1900
910 CA LEU 117 0.0314 78.1126 93.6900
918 CA LYS 118 0.0736 82.9714 91.3100
927 CA GLY 119 0.0501 80.2647 91.5000
931 CA THR 120 0.0320 78.1840 92.8100
938 CA PRO 121 0.0183 76.6114 92.8800
945 CA ILE 122 0.0280 77.7256 93.1200
953 CA GLN 123 0.0406 79.1814 93.2500
962 CA PHE 124 0.0250 77.3848 93.5600
973 CA ALA 125 0.0199 76.7934 91.8100
978 CA GLU 126 0.0323 78.2188 92.1200
987 CA ASN 127 0.0295 77.9001 92.9400
995 CA LEU 128 0.0179 76.5617 93.9400
1003 CA SER 129 0.0281 77.7342 93.0000
1009 CA TRP 130 0.0287 77.8099 92.4400
1023 CA LYS 131 0.0532 80.6235 90.7500
1032 CA VAL 132 0.0689 82.4329 88.9400
1039 CA ASP 133 0.1253 88.9181 86.7500
1047 CA GLY 134 0.2731 105.9245 85.6200
1051 CA GLY 135 0.1391 90.5078 84.0000
1055 CA LYS 136 0.0812 83.8529 86.1200
1064 CA LEU 137 0.0425 79.3997 85.5000
1072 CA ILE 138 0.0373 78.8018 90.3100
1080 CA ALA 139 0.0209 76.9049 92.1900
1085 CA GLU 140 0.0242 77.2872 94.8800
1094 CA ASN 141 0.0175 76.5229 96.3800
1102 CA PRO 142 0.0277 77.6950 94.5000
1109 CA SER 143 0.0212 76.9466 96.1200
1115 CA PRO 144 0.0194 76.7365 96.5000
1122 CA PHE 145 0.0135 76.0576 97.0600
1133 CA TYR 146 0.0123 75.9224 96.1900
1145 CA MET 147 0.0108 75.7446 94.9400
1153 CA ASN 148 0.0161 76.3540 92.0600
1161 CA ILE 149 0.0208 76.8975 91.7500
1169 CA GLY 150 0.0395 79.0528 88.4400
1173 CA GLU 151 0.0451 79.6885 90.6900
1182 CA LEU 152 0.0358 78.6255 90.3800
1190 CA THR 153 0.0517 80.4572 88.8800
1197 CA PHE 154 0.0554 80.8792 84.2500
1208 CA GLY 155 0.0998 85.9910 84.1900
1212 CA GLY 156 0.1325 89.7538 82.8800
1216 CA LYS 157 0.1211 88.4392 84.3800
1225 CA SER 158 0.0962 85.5768 87.8800
1231 CA ILE 159 0.0655 82.0448 85.1900
1239 CA PRO 160 0.0806 83.7733 83.4400
1246 CA SER 161 0.0417 79.3009 79.3100
1252 CA HIS 162 0.0338 78.3969 83.6900
1262 CA TYR 163 0.0196 76.7645 90.5600
1274 CA ILE 164 0.0144 76.1607 93.1900
1282 CA PRO 165 0.0190 76.6954 93.8100
1289 CA PRO 166 0.0177 76.5372 94.5600
1296 CA LYS 167 0.0321 78.1986 91.1900
1305 CA SER 168 0.0326 78.2521 85.0600
1311 CA THR 169 0.0376 78.8363 75.6900
1318 CA TRP 170 0.0315 78.1302 80.5000
1332 CA ALA 171 0.0475 79.9752 79.0600
1337 CA PHE 172 0.0467 79.8822 73.2500
1348 CA ASP 173 0.0844 84.2122 73.3100
1356 CA LEU 174 0.0803 83.7453 64.6900
1364 CA PRO 175 0.0891 84.7535 61.7800
1371 CA ASN 176 0.0651 81.9931 67.4400
1379 CA VAL 177 0.0352 78.5588 74.4400
1386 CA SER 178 0.0368 78.7416 84.2500
1392 CA TRP 179 0.0262 77.5184 89.3800
1406 CA ARG 180 0.0306 78.0253 91.1900
1417 CA ILE 181 0.0217 77.0031 89.6900
1425 CA ILE 182 0.0295 77.9021 86.8100
1433 CA ASN 183 0.0334 78.3473 88.2500
1441 CA ASP 184 0.0359 78.6319 82.3100
1449 CA GLN 185 0.1016 86.1888 82.3100
1458 CA GLY 186 0.0618 81.6109 78.3100
1462 CA GLY 187 0.0842 84.1933 82.8100
1466 CA LEU 188 0.0594 81.3420 86.4400
1474 CA ASP 189 0.0508 80.3449 89.1900
1482 CA ARG 190 0.0687 82.4078 90.4400
1493 CA LEU 191 0.0552 80.8547 88.2500
1501 CA TYR 192 0.0373 78.7990 88.8800
1513 CA SER 193 0.0491 80.1569 84.8800
1519 CA LYS 194 0.0472 79.9371 80.8800
1528 CA ASN 195 0.0993 85.9314 73.3800
1536 CA VAL 196 0.0670 82.2104 71.0000

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.