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

* TRANSPORT PROTEIN 21-OCT-10 3APX *

B-factor analysis for ID 240110225123556539

Overall B-factor prediction

Correlation= 0.673 for 179 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 MET 0 0.2034 33.8011 16.5100
10 CA GLN 1 0.1105 21.7483 14.0900
19 CA ILE 2 0.0962 19.8929 11.0600
27 CA PRO 3 0.0963 19.9067 9.5700
34 CA LEU 4 0.0379 12.3383 7.8000
42 CA CYS 5 0.0276 10.9974 6.7000
48 CA ALA 6 0.0398 12.5845 6.0700
53 CA ASN 7 0.0152 9.3937 5.7600
61 CA LEU 8 0.0140 9.2335 6.1400
69 CA VAL 9 0.0397 12.5687 6.9500
76 CA PRO 10 0.0326 11.6491 7.1400
83 CA VAL 11 0.0457 13.3417 7.4800
90 CA PRO 12 0.0371 12.2313 7.3900
97 CA ILE 13 0.0211 10.1608 7.2600
105 CA THR 14 0.0359 12.0774 8.2900
112 CA ASN 15 0.0331 11.7094 8.6100
120 CA ALA 16 0.0492 13.8012 8.8500
125 CA THR 17 0.0219 10.2580 8.5500
132 CA LEU 18 0.0159 9.4865 7.1700
140 CA ASP 19 0.0281 11.0622 7.6800
148 CA ARG 20 0.0192 9.9097 7.9000
159 CA ILE 21 0.0118 8.9485 6.6700
167 CA THR 22 0.0152 9.3911 7.5600
174 CA GLY 23 0.0124 9.0233 7.5300
178 CA LYS 24 0.0092 8.6183 7.0500
187 CA TRP 25 0.0078 8.4314 6.5100
201 CA PHE 26 0.0076 8.4005 6.0300
212 CA TYR 27 0.0073 8.3722 6.0000
224 CA ILE 28 0.0078 8.4347 5.5700
232 CA ALA 29 0.0073 8.3697 5.7600
237 CA SER 30 0.0078 8.4321 6.8500
243 CA ALA 31 0.0079 8.4513 8.6200
248 CA PHE 32 0.0110 8.8456 10.9500
259 CA ARG 33 0.0179 9.7453 13.7600
270 CA ASN 34 0.0210 10.1432 15.1100
278 CA GLU 35 0.0401 12.6219 19.5100
287 CA GLU 36 0.0466 13.4690 21.0000
296 CA TYR 37 0.0202 10.0358 20.8300
308 CA ASN 38 0.0207 10.1021 22.6100
316 CA LYS 39 0.0443 13.1710 23.4200
325 CA SER 40 0.0361 12.1038 20.9000
331 CA VAL 41 0.0191 9.9012 17.6500
338 CA GLN 42 0.0259 10.7807 17.7600
347 CA GLU 43 0.0314 11.4868 15.9300
356 CA ILE 44 0.0161 9.5102 12.3500
364 CA GLN 45 0.0170 9.6240 11.1800
373 CA ALA 46 0.0103 8.7569 8.8400
378 CA THR 47 0.0075 8.3996 7.6300
385 CA PHE 48 0.0078 8.4278 7.1400
396 CA PHE 49 0.0078 8.4334 7.8200
407 CA TYR 50 0.0096 8.6669 8.3700
419 CA PHE 51 0.0095 8.6532 7.9500
430 CA THR 52 0.0145 9.2996 8.0800
437 CA PRO 53 0.0167 9.5891 7.6300
444 CA ASN 54 0.0308 11.4125 8.5200
452 CA LYS 55 0.0322 11.5973 9.4300
461 CA THR 56 0.0845 18.3810 11.4400
468 CA GLU 57 0.0532 14.3149 11.3700
477 CA ASP 58 0.0233 10.4373 9.7700
485 CA THR 59 0.0194 9.9347 7.7400
492 CA ILE 60 0.0124 9.0354 6.0400
500 CA PHE 61 0.0149 9.3475 6.1800
511 CA LEU 62 0.0122 9.0049 7.3000
519 CA ARG 63 0.0119 8.9596 8.9200
530 CA GLU 64 0.0106 8.8024 9.2500
539 CA TYR 65 0.0093 8.6319 8.6200
551 CA GLN 66 0.0124 9.0236 10.1600
560 CA THR 67 0.0132 9.1357 11.4100
567 CA ARG 68 0.0219 10.2553 15.5900
578 CA GLN 69 0.0485 13.7093 18.5100
587 CA ASN 70 0.0519 14.1456 17.7600
595 CA GLN 71 0.0352 11.9882 15.5300
604 CA CYS 72 0.0179 9.7480 13.0400
610 CA PHE 73 0.0236 10.4840 13.5900
621 CA TYR 74 0.0188 9.8540 13.8200
633 CA ASN 75 0.0293 11.2209 15.2900
641 CA SER 76 0.0260 10.7990 14.4400
647 CA SER 77 0.0216 10.2219 14.0500
653 CA TYR 78 0.0220 10.2694 12.9000
665 CA LEU 79 0.0149 9.3486 11.4600
673 CA ASN 80 0.0163 9.5317 10.8800
681 CA VAL 81 0.0157 9.4620 8.4900
688 CA GLN 82 0.0212 10.1713 9.0600
697 CA ARG 83 0.0244 10.5868 10.6500
708 CA GLU 84 0.0475 13.5843 12.8700
717 CA ASN 85 0.0337 11.7943 10.8500
725 CA GLY 86 0.0174 9.6724 9.2800
729 CA THR 87 0.0153 9.4040 9.5300
736 CA VAL 88 0.0116 8.9198 11.5800
743 CA SER 89 0.0177 9.7186 15.3100
749 CA ARG 90 0.0229 10.3951 19.4800
760 CA TYR 91 0.0533 14.3279 24.1000
772 CA GLU 92 0.0793 17.7028 25.9900
781 CA GLY 93 0.2631 41.5318 27.9700
785 CA GLY 94 0.2025 33.6808 29.2600
789 CA ARG 95 0.0990 20.2527 28.0600
800 CA GLU 96 0.0483 13.6885 25.2700
809 CA HIS 97 0.0329 11.6833 21.0600
819 CA VAL 98 0.0195 9.9527 16.3000
826 CA ALA 99 0.0129 9.0887 12.1700
831 CA HIS 100 0.0103 8.7605 9.0600
841 CA LEU 101 0.0086 8.5339 7.8100
849 CA LEU 102 0.0081 8.4671 7.0200
857 CA PHE 103 0.0097 8.6773 7.6800
868 CA LEU 104 0.0122 8.9993 9.5000
876 CA ARG 105 0.0356 12.0312 12.7300
887 CA ASP 106 0.0204 10.0648 13.4600
895 CA THR 107 0.0207 10.1017 12.8600
902 CA LYS 108 0.0189 9.8710 11.7100
911 CA THR 109 0.0091 8.5955 8.9300
918 CA LEU 110 0.0065 8.2694 7.8300
926 CA MET 111 0.0062 8.2287 6.9400
934 CA PHE 112 0.0070 8.3279 8.1600
945 CA GLY 113 0.0082 8.4863 9.0100
949 CA SER 114 0.0120 8.9806 10.9900
955 CA TYR 115 0.0208 10.1143 12.6900
967 CA LEU 116 0.0178 9.7323 12.8400
975 CA ASP 117 0.0686 16.3148 15.1900
983 CA ASP 118 0.0384 12.3983 14.7700
991 CA GLU 119 0.0342 11.8510 14.6600
1000 CA LYS 120 0.0426 12.9403 13.1200
1009 CA ASN 121 0.0213 10.1871 9.0000
1017 CA TRP 122 0.0143 9.2769 6.7300
1031 CA GLY 123 0.0087 8.5547 5.8600
1035 CA LEU 124 0.0056 8.1481 6.1300
1043 CA SER 125 0.0060 8.2012 6.7800
1049 CA PHE 126 0.0057 8.1640 6.7700
1060 CA TYR 127 0.0064 8.2545 6.0500
1072 CA ALA 128 0.0082 8.4792 7.4800
1077 CA ASP 129 0.0140 9.2381 9.4200
1085 CA LYS 130 0.0207 10.1075 10.1000
1094 CA PRO 131 0.0146 9.3164 10.6500
1101 CA GLU 132 0.0334 11.7586 12.3900
1110 CA THR 133 0.0236 10.4789 11.2100
1117 CA THR 134 0.0490 13.7693 12.2500
1124 CA LYS 135 0.0636 15.6693 12.7300
1133 CA GLU 136 0.0460 13.3887 11.2600
1142 CA GLN 137 0.0158 9.4691 8.8000
1151 CA LEU 138 0.0160 9.4906 7.5000
1159 CA GLY 139 0.0187 9.8464 6.6000
1163 CA GLU 140 0.0132 9.1374 5.9600
1172 CA PHE 141 0.0089 8.5722 5.3500
1183 CA TYR 142 0.0133 9.1420 5.5000
1195 CA GLU 143 0.0161 9.5139 5.9600
1204 CA ALA 144 0.0101 8.7321 6.0500
1209 CA LEU 145 0.0102 8.7473 7.1400
1217 CA ASP 146 0.0168 9.5981 8.1800
1225 CA CYS 147 0.0182 9.7837 7.9800
1231 CA LEU 148 0.0147 9.3235 8.4300
1239 CA ARG 149 0.0272 10.9526 10.4900
1250 CA ILE 150 0.0162 9.5229 8.9000
1258 CA PRO 151 0.0415 12.8032 9.0000
1265 CA ARG 152 0.0236 10.4844 7.5000
1276 CA SER 153 0.0716 16.7095 7.8200
1282 CA ASP 154 0.0252 10.6943 7.0600
1290 CA VAL 155 0.0162 9.5179 4.9900
1297 CA MET 156 0.0134 9.1535 6.8000
1305 CA TYR 157 0.0131 9.1218 7.0900
1317 CA THR 158 0.0128 9.0807 7.8800
1324 CA ASP 159 0.0299 11.2948 10.4800
1332 CA TRP 160 0.0181 9.7707 12.0400
1346 CA LYS 161 0.0458 13.3630 14.7000
1355 CA LYS 162 0.0295 11.2422 13.9800
1364 CA ASP 163 0.0148 9.3354 12.5100
1372 CA LYS 164 0.0192 9.9165 12.7100
1381 CA CYS 165 0.0125 9.0387 10.6000
1387 CA GLU 166 0.0190 9.8794 12.4700
1396 CA PRO 167 0.0369 12.2009 13.1400
1403 CA LEU 168 0.0232 10.4314 13.7900
1411 CA GLU 169 0.0167 9.5855 14.1900
1420 CA LYS 170 0.0373 12.2623 16.4700
1429 CA GLN 171 0.0515 14.0951 17.5600
1438 CA HIS 172 0.0365 12.1487 17.5400
1448 CA GLU 173 0.0544 14.4784 21.0200
1457 CA LYS 174 0.1020 20.6521 24.2500
1466 CA GLU 175 0.1089 21.5464 25.6700
1475 CA ARG 176 0.1150 22.3335 27.8200
1486 CA LYS 177 0.2108 34.7590 30.8500
1495 CA GLN 178 0.3691 55.2855 33.3900

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.