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

* Robetta03 *

B-factor analysis for ID 20122820005765219

Overall B-factor prediction

Correlation= 0.747 for 122 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 CYS 1 0.0070 2.2330 2.7100
14 CA VAL 2 0.0053 2.1943 3.9300
30 CA PHE 3 0.0039 2.1620 3.4200
50 CA CYS 4 0.0057 2.2028 2.5200
60 CA ARG 5 0.0062 2.2154 2.9500
84 CA LEU 6 0.0058 2.2052 2.7400
103 CA PRO 7 0.0116 2.3372 3.4400
117 CA ALA 8 0.0053 2.1941 4.1100
127 CA HIS 9 0.0045 2.1762 3.9100
144 CA ASP 10 0.0099 2.2986 4.1300
156 CA LEU 11 0.0084 2.2650 3.9300
175 CA SER 12 0.0225 2.5843 4.2600
186 CA GLY 13 0.0233 2.6044 4.1000
193 CA ARG 14 0.0150 2.4155 4.5600
217 CA LEU 15 0.0287 2.7271 3.9700
236 CA ALA 16 0.0412 3.0107 4.3100
246 CA ARG 17 0.0286 2.7231 4.0300
270 CA LEU 18 0.0131 2.3707 3.0400
289 CA CYS 19 0.0139 2.3886 2.7500
300 CA SER 20 0.0193 2.5116 3.0600
311 CA GLN 21 0.0126 2.3596 2.6300
328 CA MET 22 0.0064 2.2194 2.1200
345 CA GLU 23 0.0090 2.2775 2.4600
360 CA ALA 24 0.0117 2.3399 2.5400
370 CA ARG 25 0.0075 2.2453 1.9500
394 CA GLN 26 0.0049 2.1858 2.4600
411 CA LYS 27 0.0091 2.2805 3.2400
433 CA GLU 28 0.0120 2.3462 2.8200
448 CA CYS 29 0.0074 2.2416 2.8600
459 CA GLY 30 0.0070 2.2329 4.1100
466 CA ALA 31 0.0069 2.2300 5.3000
476 CA SER 32 0.0124 2.3554 5.2100
487 CA PRO 33 0.0185 2.4937 5.5800
501 CA ASP 34 0.0245 2.6298 5.5500
513 CA PHE 35 0.0166 2.4513 4.9000
533 CA SER 36 0.0146 2.4064 3.8900
544 CA ALA 37 0.0257 2.6571 3.1700
554 CA PHE 38 0.0127 2.3617 2.2600
574 CA ALA 39 0.0116 2.3363 1.4400
584 CA LEU 40 0.0107 2.3173 1.0700
603 CA ASP 41 0.0129 2.3664 1.0100
615 CA GLU 42 0.0139 2.3902 1.0100
630 CA VAL 43 0.0174 2.4701 1.0900
646 CA SER 44 0.0124 2.3558 1.0300
657 CA MET 45 0.0095 2.2891 0.9200
674 CA ASN 46 0.0113 2.3313 0.9600
688 CA LYS 47 0.0123 2.3526 1.1300
710 CA VAL 48 0.0083 2.2624 1.1200
726 CA THR 49 0.0068 2.2278 1.0400
740 CA GLU 50 0.0088 2.2739 1.0900
755 CA LYS 51 0.0081 2.2576 1.2000
777 CA THR 52 0.0043 2.1720 1.1700
791 CA HIS 53 0.0052 2.1910 1.1800
808 CA ARG 54 0.0085 2.2658 1.2700
832 CA VAL 55 0.0051 2.1893 1.2300
848 CA LEU 56 0.0033 2.1495 1.3400
867 CA ARG 57 0.0073 2.2399 1.3900
891 CA VAL 58 0.0107 2.3163 1.5100
907 CA MET 59 0.0073 2.2392 1.7300
924 CA GLU 60 0.0105 2.3118 1.7800
939 CA ILE 61 0.0212 2.5557 1.7000
958 CA LYS 62 0.0237 2.6128 2.2900
980 CA GLU 63 0.0208 2.5470 2.1800
995 CA ALA 64 0.0115 2.3350 2.3800
1005 CA VAL 65 0.0125 2.3576 2.6000
1021 CA SER 66 0.0186 2.4975 2.5300
1032 CA SER 67 0.0129 2.3667 1.7100
1043 CA LEU 68 0.0061 2.2118 1.5600
1062 CA PRO 69 0.0083 2.2623 1.5600
1076 CA SER 70 0.0120 2.3476 1.2500
1087 CA TYR 71 0.0062 2.2143 1.1900
1108 CA TRP 72 0.0050 2.1884 1.4700
1132 CA SER 73 0.0111 2.3256 1.6000
1143 CA TRP 74 0.0107 2.3177 1.5000
1167 CA LEU 75 0.0065 2.2222 1.4300
1186 CA ARG 76 0.0105 2.3134 1.8800
1210 CA LYS 77 0.0209 2.5487 2.2700
1232 CA THR 78 0.0121 2.3478 1.9700
1246 CA LYS 79 0.0191 2.5084 2.9000
1268 CA LEU 80 0.0143 2.3990 2.2000
1287 CA PRO 81 0.0238 2.6152 2.9600
1301 CA GLU 82 0.0248 2.6377 2.2500
1316 CA TYR 83 0.0158 2.4317 1.9100
1337 CA THR 84 0.0186 2.4960 2.5700
1351 CA ARG 85 0.0315 2.7888 2.5800
1375 CA GLU 86 0.0260 2.6657 3.0400
1390 CA ALA 87 0.0156 2.4275 2.8300
1400 CA LEU 88 0.0141 2.3941 1.9900
1419 CA CYS 89 0.0139 2.3901 1.7200
1429 CA PRO 90 0.0187 2.4981 2.4700
1443 CA PRO 91 0.0231 2.5989 3.0600
1457 CA ALA 92 0.0567 3.3625 3.2200
1467 CA CYS 93 0.0271 2.6896 3.1800
1477 CA ARG 94 0.0205 2.5396 2.7000
1501 CA GLY 95 0.0188 2.5012 2.1400
1508 CA SER 96 0.0209 2.5483 1.8300
1519 CA THR 97 0.0170 2.4608 1.7400
1533 CA THR 98 0.0160 2.4363 1.4700
1547 CA LEU 99 0.0129 2.3673 0.9900
1566 CA TYR 100 0.0107 2.3170 1.1900
1587 CA ASN 101 0.0111 2.3268 1.2800
1601 CA CYS 102 0.0085 2.2674 1.4300
1611 CA SER 103 0.0111 2.3258 1.4700
1622 CA THR 104 0.0126 2.3611 1.4300
1636 CA CYS 105 0.0091 2.2811 1.4100
1646 CA LYS 106 0.0154 2.4231 1.2900
1668 CA GLY 107 0.0156 2.4280 1.2400
1675 CA THR 108 0.0208 2.5465 1.2800
1689 CA GLU 109 0.0246 2.6327 1.8500
1704 CA VAL 110 0.0171 2.4613 1.3300
1720 CA SER 111 0.0269 2.6848 3.0500
1731 CA CYS 112 0.0161 2.4401 2.5000
1741 CA TRP 113 0.0244 2.6275 3.4600
1765 CA PRO 114 0.0326 2.8138 4.2000
1779 CA ARG 115 0.0654 3.5595 4.5600
1803 CA LYS 116 0.0977 4.2937 6.0500
1825 CA ARG 117 0.1308 5.0477 6.8700
1849 CA CYS 118 0.0878 4.0704 6.3400
1859 CA PHE 119 0.1706 5.9513 8.1800
1879 CA PRO 120 0.2317 7.3399 9.3400
1893 CA GLY 121 0.6357 16.5236 10.8500
1900 CA SER 122 0.6095 15.9288 11.3700

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.