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

* EXP_1P5V_unrelaxed_rank_001_alphafold2_ptm_model_1_seed_000 *

B-factor analysis for ID 24021912381935461

Overall B-factor prediction

Correlation= -0.644 for 136 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 VAL 1 2.7271 182.6811 46.3400
9 CA GLU 2 1.3308 133.9140 50.3100
18 CA PRO 3 0.5727 107.4349 53.2200
25 CA ALA 4 0.1065 91.1531 61.3800
30 CA ARG 5 0.1442 92.4698 79.5000
41 CA ILE 6 0.0411 88.8664 89.6200
49 CA THR 7 0.0666 89.7585 92.5600
56 CA LEU 8 0.0327 88.5759 94.6200
64 CA THR 9 0.0623 89.6080 95.5600
71 CA TYR 10 0.0406 88.8513 95.7500
83 CA LYS 11 0.0501 89.1809 96.8100
92 CA GLU 12 0.0493 89.1553 95.8100
101 CA GLY 13 0.0573 89.4341 95.5000
105 CA ALA 14 0.1549 92.8417 94.2500
110 CA PRO 15 0.2335 95.5871 93.1900
117 CA ILE 16 0.0583 89.4695 92.5000
125 CA THR 17 0.1038 91.0592 90.6900
132 CA ILE 18 0.0467 89.0640 87.8800
140 CA MET 19 0.0802 90.2332 87.4400
148 CA ASP 20 0.2195 95.0984 81.5000
156 CA ASN 21 0.1265 91.8512 82.4400
164 CA GLY 22 0.0547 89.3432 80.8800
168 CA ASN 23 0.0405 88.8466 86.6200
176 CA ILE 24 0.0272 88.3810 90.3100
184 CA ASP 25 0.0456 89.0236 90.1200
192 CA THR 26 0.0322 88.5567 91.1900
199 CA GLU 27 0.0274 88.3883 92.0600
208 CA LEU 28 0.0245 88.2871 94.2500
216 CA LEU 29 0.0223 88.2123 95.9400
224 CA VAL 30 0.0169 88.0230 95.8100
231 CA GLY 31 0.0219 88.1962 97.1900
235 CA THR 32 0.0213 88.1774 97.6900
242 CA LEU 33 0.0177 88.0502 97.5600
250 CA THR 34 0.0230 88.2348 97.0000
257 CA LEU 35 0.0195 88.1129 96.4400
265 CA GLY 36 0.0318 88.5434 95.1200
269 CA GLY 37 0.0385 88.7779 92.3800
273 CA TYR 38 0.0294 88.4586 93.0600
285 CA LYS 39 0.0516 89.2358 92.6900
294 CA THR 40 0.0723 89.9585 90.8800
301 CA GLY 41 0.0545 89.3359 91.5600
305 CA THR 42 0.0253 88.3175 93.6200
312 CA THR 43 0.0212 88.1741 94.6200
319 CA SER 44 0.0128 87.8778 94.2500
325 CA THR 45 0.0161 87.9932 94.0600
332 CA SER 46 0.0202 88.1384 94.9400
338 CA VAL 47 0.0128 87.8803 96.4400
345 CA ASN 48 0.0158 87.9822 97.1200
353 CA PHE 49 0.0138 87.9149 97.3100
364 CA THR 50 0.0213 88.1759 97.6900
371 CA ASP 51 0.0245 88.2867 96.8100
379 CA ALA 52 0.0850 90.4003 95.4400
384 CA ALA 53 0.0378 88.7507 94.8100
389 CA GLY 54 0.0353 88.6654 96.0000
393 CA ASP 55 0.0281 88.4135 94.9400
401 CA PRO 56 0.0267 88.3661 96.2500
408 CA MET 57 0.0158 87.9839 95.1200
416 CA TYR 58 0.0140 87.9208 95.9400
428 CA LEU 59 0.0119 87.8482 96.0000
436 CA THR 60 0.0150 87.9543 94.5600
443 CA PHE 61 0.0141 87.9229 93.3800
454 CA THR 62 0.0257 88.3303 92.1200
461 CA SER 63 0.0341 88.6214 91.6900
467 CA GLN 64 0.0788 90.1838 89.3800
476 CA ASP 65 0.1010 90.9613 84.4400
484 CA GLY 66 0.1775 93.6300 76.1900
488 CA ASN 67 0.1178 91.5471 81.6900
496 CA ASN 68 0.0793 90.2033 82.3100
504 CA HIS 69 0.0387 88.7826 87.6200
514 CA GLN 70 0.0203 88.1425 90.8800
523 CA PHE 71 0.0109 87.8116 92.3800
534 CA THR 72 0.0117 87.8390 93.8800
541 CA THR 73 0.0103 87.7927 95.1900
548 CA LYS 74 0.0113 87.8272 95.6900
557 CA VAL 75 0.0092 87.7530 96.6200
564 CA ILE 76 0.0110 87.8148 95.0000
572 CA GLY 77 0.0126 87.8727 93.8800
576 CA LYS 78 0.0227 88.2260 91.0000
585 CA ASP 79 0.0421 88.9029 88.5000
593 CA SER 80 0.1293 91.9471 86.5000
599 CA ARG 81 0.1154 91.4620 87.5600
610 CA ASP 82 0.0758 90.0801 86.3800
618 CA PHE 83 0.0575 89.4396 88.5000
629 CA ASP 84 0.0252 88.3127 90.5000
637 CA ILE 85 0.0140 87.9205 92.3800
645 CA SER 86 0.0127 87.8758 92.4400
651 CA PRO 87 0.0098 87.7747 95.6900
658 CA LYS 88 0.0129 87.8826 97.1200
667 CA VAL 89 0.0126 87.8719 97.3800
674 CA ASN 90 0.0196 88.1156 97.5600
682 CA GLY 91 0.0278 88.4047 96.1200
686 CA GLU 92 0.0270 88.3768 95.8800
695 CA ASN 93 0.0190 88.0965 91.8800
703 CA LEU 94 0.0199 88.1258 88.6900
711 CA VAL 95 0.1066 91.1543 82.5600
718 CA GLY 96 0.0486 89.1306 74.0000
722 CA ASP 97 0.0454 89.0190 80.5000
730 CA ASP 98 0.0325 88.5674 88.9400
738 CA VAL 99 0.0232 88.2438 92.4400
745 CA VAL 100 0.0293 88.4542 93.1900
752 CA LEU 101 0.0203 88.1414 94.2500
760 CA ALA 102 0.0330 88.5852 93.5000
765 CA THR 103 0.0808 90.2529 91.0000
772 CA GLY 104 0.0568 89.4159 91.1900
776 CA SER 105 0.0306 88.4996 94.6900
782 CA GLN 106 0.0182 88.0689 96.1200
791 CA ASP 107 0.0169 88.0228 96.9400
799 CA PHE 108 0.0120 87.8503 97.1200
810 CA PHE 109 0.0129 87.8814 97.0600
821 CA VAL 110 0.0119 87.8477 97.0000
828 CA ARG 111 0.0125 87.8703 95.7500
839 CA SER 112 0.0130 87.8860 94.3100
845 CA ILE 113 0.0181 88.0638 92.3800
853 CA GLY 114 0.0227 88.2232 88.1900
857 CA SER 115 0.0287 88.4348 77.9400
863 CA LYS 116 0.0466 89.0594 66.1900
872 CA GLY 117 0.0676 89.7927 60.9400
876 CA GLY 118 0.1312 92.0157 71.0600
880 CA LYS 119 0.0507 89.2027 79.8800
889 CA LEU 120 0.0270 88.3756 87.0600
897 CA ALA 121 0.0485 89.1275 87.5600
902 CA ALA 122 0.0974 90.8356 88.6200
907 CA GLY 123 0.0862 90.4426 91.0000
911 CA LYS 124 0.0701 89.8800 92.0600
920 CA TYR 125 0.0288 88.4390 92.8800
932 CA THR 126 0.0546 89.3389 92.8800
939 CA ASP 127 0.0406 88.8484 93.1900
947 CA ALA 128 0.0967 90.8108 92.8800
952 CA VAL 129 0.0272 88.3825 94.3800
959 CA THR 130 0.0464 89.0523 94.9400
966 CA VAL 131 0.0225 88.2169 95.4400
973 CA THR 132 0.0356 88.6757 95.1900
980 CA VAL 133 0.0238 88.2638 94.8800
987 CA SER 134 0.0371 88.7268 92.1200
993 CA ASN 135 0.0769 90.1181 81.1200
1001 CA GLN 136 0.0611 89.5649 82.8100

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.