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

* Mak_Prdx1_Model *

B-factor analysis for ID 23011808392224348

Overall B-factor prediction

Correlation= 0.684 for 346 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 SER 3 0.0159 35.2644 83.3400
8 CA GLY 4 0.0254 40.7686 69.6600
12 CA ASN 5 0.0273 41.8549 50.8500
20 CA ALA 6 0.0127 33.4300 39.0300
25 CA LYS 7 0.0133 33.7567 37.7000
34 CA ILE 8 0.0092 31.4143 36.5900
42 CA GLY 9 0.0191 37.1122 35.6900
46 CA HIS 10 0.0205 37.9294 38.3400
56 CA PRO 11 0.0167 35.7529 39.2100
63 CA ALA 12 0.0124 33.2519 30.2100
68 CA PRO 13 0.0149 34.6827 28.8100
75 CA SER 14 0.0162 35.4237 32.7200
81 CA PHE 15 0.0173 36.0781 37.7100
92 CA LYS 16 0.0227 39.2100 45.1700
101 CA ALA 17 0.0185 36.7435 42.4600
106 CA THR 18 0.0176 36.2618 40.4000
113 CA ALA 19 0.0137 34.0222 31.9200
118 CA VAL 20 0.0139 34.1054 31.8100
125 CA MET 21 0.0193 37.2080 26.3000
133 CA PRO 22 0.0274 41.8776 31.2200
140 CA ASP 23 0.0906 78.2507 40.7100
148 CA GLY 24 0.0614 61.4691 39.4600
152 CA GLN 25 0.0451 52.0674 46.9100
161 CA PHE 26 0.0291 42.8703 45.3100
172 CA LYS 27 0.0313 44.1368 43.3800
181 CA ASP 28 0.0313 44.1465 46.6600
189 CA ILE 29 0.0174 36.1410 42.0600
197 CA SER 30 0.0189 36.9841 36.0300
203 CA LEU 31 0.0139 34.1295 33.9400
211 CA SER 32 0.0237 39.7812 39.7800
217 CA ASP 33 0.0224 39.0317 32.4600
225 CA TYR 34 0.0170 35.8849 31.1200
237 CA LYS 35 0.0239 39.8713 39.0800
246 CA GLY 36 0.0274 41.9169 34.7200
250 CA LYS 37 0.0136 33.9546 38.2700
259 CA TYR 38 0.0093 31.4714 31.0500
271 CA VAL 39 0.0064 29.8131 29.3300
278 CA VAL 40 0.0054 29.2364 25.4200
285 CA PHE 41 0.0044 28.6489 22.2100
296 CA PHE 42 0.0039 28.3454 27.0500
307 CA PHE 43 0.0049 28.9286 25.9800
318 CA TYR 44 0.0052 29.1114 28.9600
330 CA PRO 45 0.0078 30.6308 32.2900
337 CA LEU 46 0.0090 31.2818 32.9800
345 CA ASP 47 0.0108 32.3351 33.3100
353 CA PHE 48 0.0172 35.9950 31.3700
364 CA THR 49 0.0254 40.7345 38.8200
371 CA PHE 50 0.0563 58.5366 54.1500
382 CA VAL 51 0.0450 51.9940 49.0700
389 CA CYS 52 0.0262 41.1915 45.5900
395 CA PRO 53 0.0140 34.1876 35.4100
402 CA THR 54 0.0089 31.2601 26.5100
409 CA GLU 55 0.0054 29.2483 27.2500
418 CA ILE 56 0.0048 28.8803 28.8100
426 CA ILE 57 0.0091 31.3391 33.2200
434 CA ALA 58 0.0110 32.4579 30.2000
439 CA PHE 59 0.0083 30.8907 25.7600
450 CA SER 60 0.0111 32.5209 30.3500
456 CA ASP 61 0.0187 36.9128 33.3500
464 CA ARG 62 0.0166 35.7065 30.9200
475 CA ALA 63 0.0163 35.5082 28.1300
480 CA GLU 64 0.0295 43.0963 39.3600
489 CA GLU 65 0.0202 37.7532 34.4400
498 CA PHE 66 0.0133 33.8053 37.0700
509 CA LYS 67 0.0279 42.1525 43.8000
518 CA LYS 68 0.0438 51.3489 45.9000
527 CA LEU 69 0.0175 36.1934 34.0700
535 CA ASN 70 0.0171 35.9740 30.9600
543 CA CYS 71 0.0109 32.4126 28.7400
549 CA GLN 72 0.0093 31.4525 30.7500
558 CA VAL 73 0.0059 29.5154 24.4800
565 CA ILE 74 0.0051 29.0372 24.2500
573 CA GLY 75 0.0043 28.5962 25.8500
577 CA ALA 76 0.0047 28.8221 26.9300
582 CA SER 77 0.0071 30.2333 25.6000
588 CA VAL 78 0.0101 31.9135 25.4000
595 CA ASP 79 0.0128 33.4790 28.9300
603 CA SER 80 0.0160 35.3317 34.9900
609 CA HIS 81 0.0169 35.8589 43.5300
619 CA PHE 82 0.0289 42.7721 39.4700
630 CA SER 83 0.0188 36.9348 37.9700
636 CA HIS 84 0.0120 33.0246 37.0200
646 CA LEU 85 0.0200 37.6119 37.0700
654 CA ALA 86 0.0241 39.9726 39.4300
659 CA TRP 87 0.0168 35.7673 38.7500
673 CA ILE 88 0.0176 36.2762 45.6900
681 CA ASN 89 0.0357 46.6820 48.0100
689 CA THR 90 0.0337 45.5439 38.7500
696 CA PRO 91 0.0412 49.8455 44.6800
703 CA LYS 92 0.0358 46.6992 47.6100
712 CA LYS 93 0.1136 91.4858 50.6300
721 CA GLN 94 0.0746 69.0161 49.7300
730 CA GLY 95 0.0297 43.2280 45.7800
734 CA GLY 96 0.0197 37.4379 37.4200
738 CA LEU 97 0.0143 34.3406 41.1200
746 CA GLY 98 0.0238 39.8324 52.2100
750 CA PRO 99 0.0244 40.1746 49.6400
757 CA MET 100 0.0135 33.8770 35.3300
765 CA ASN 101 0.0146 34.5229 26.7000
773 CA ILE 102 0.0102 31.9764 23.8900
781 CA PRO 103 0.0080 30.7486 22.5200
788 CA LEU 104 0.0064 29.8028 27.5800
796 CA VAL 105 0.0074 30.4049 32.7500
803 CA SER 106 0.0094 31.5182 30.7200
809 CA ASP 107 0.0129 33.5702 36.7500
817 CA PRO 108 0.0204 37.8361 39.1400
824 CA LYS 109 0.0437 51.2810 44.7500
833 CA ARG 110 0.0194 37.2876 37.4400
844 CA THR 111 0.0220 38.8051 32.9800
851 CA ILE 112 0.0123 33.2129 30.3200
859 CA ALA 113 0.0110 32.4644 26.5800
864 CA GLN 114 0.0179 36.4396 35.8800
873 CA ASP 115 0.0147 34.5575 33.5800
881 CA TYR 116 0.0106 32.2171 30.4600
893 CA GLY 117 0.0122 33.1547 25.3400
897 CA VAL 118 0.0096 31.6598 26.6300
904 CA LEU 119 0.0165 35.6342 30.0500
912 CA LYS 120 0.0185 36.7931 43.3200
921 CA ALA 121 0.0604 60.8776 60.4200
926 CA ASP 122 0.1122 90.6720 60.8600
934 CA GLU 123 0.0586 59.8257 50.6600
943 CA GLY 124 0.0419 50.2369 38.5400
947 CA ILE 125 0.0161 35.3830 32.5700
955 CA SER 126 0.0103 32.0444 29.7600
961 CA PHE 127 0.0068 30.0610 31.7800
972 CA ARG 128 0.0059 29.5054 27.4300
983 CA GLY 129 0.0050 29.0166 25.6600
987 CA LEU 130 0.0046 28.7799 27.1500
995 CA PHE 131 0.0049 28.9727 26.5700
1006 CA ILE 132 0.0056 29.3283 24.1000
1014 CA ILE 133 0.0076 30.5039 27.8600
1022 CA ASP 134 0.0101 31.9666 34.7500
1030 CA ASP 135 0.0163 35.5275 37.0500
1038 CA LYS 136 0.0275 41.9434 40.5800
1047 CA GLY 137 0.0156 35.0761 35.8200
1051 CA ILE 138 0.0144 34.3898 30.3900
1059 CA LEU 139 0.0084 30.9478 29.2500
1067 CA ARG 140 0.0081 30.7985 27.4600
1078 CA GLN 141 0.0060 29.5968 31.0000
1087 CA ILE 142 0.0059 29.4972 31.9100
1095 CA THR 143 0.0056 29.3372 34.5600
1102 CA ILE 144 0.0057 29.4154 27.1200
1110 CA ASN 145 0.0065 29.8736 30.7400
1118 CA ASP 146 0.0070 30.1508 32.9900
1126 CA LEU 147 0.0083 30.9167 32.5500
1134 CA PRO 148 0.0088 31.1862 40.9700
1141 CA VAL 149 0.0094 31.5152 40.3000
1148 CA GLY 150 0.0088 31.2166 43.8100
1152 CA ARG 151 0.0092 31.4383 43.6500
1163 CA SER 152 0.0108 32.3232 38.3000
1169 CA VAL 153 0.0140 34.2012 33.1900
1176 CA ASP 154 0.0188 36.9234 38.3600
1184 CA GLU 155 0.0119 32.9712 38.8200
1193 CA ILE 156 0.0091 31.3641 28.8300
1201 CA LEU 157 0.0112 32.5980 29.8600
1209 CA ARG 158 0.0114 32.6952 36.0400
1220 CA LEU 159 0.0088 31.1852 30.9000
1228 CA VAL 160 0.0084 30.9859 33.2100
1235 CA GLN 161 0.0131 33.6576 40.5700
1244 CA ALA 162 0.0140 34.1602 30.6800
1249 CA PHE 163 0.0109 32.4274 34.2200
1260 CA GLN 164 0.0142 34.3262 38.9000
1269 CA PHE 165 0.0275 41.9530 43.9900
1280 CA THR 166 0.0221 38.8332 45.9000
1287 CA ASP 167 0.0339 45.6205 51.1900
1295 CA LYS 168 0.0604 60.8463 52.8700
1304 CA HIS 169 0.0628 62.2594 57.6100
1314 CA GLY 170 0.0613 61.3812 71.0900
1318 CA GLU 171 0.1021 84.8764 75.9900
1327 CA VAL 172 0.0593 60.2427 71.8400
1334 CA CYS 173 0.0333 45.2695 69.8600
1340 CA PRO 174 0.0298 43.2779 75.5500
1347 CA ALA 175 0.1358 104.2423 76.6200
1352 CA SER 3 0.0174 36.1512 79.6400
1358 CA GLY 4 0.0249 40.4617 61.6000
1362 CA ASN 5 0.0279 42.1992 47.3900
1370 CA ALA 6 0.0128 33.5070 36.2200
1375 CA LYS 7 0.0133 33.7641 34.7300
1384 CA ILE 8 0.0094 31.5153 29.8500
1392 CA GLY 9 0.0185 36.7996 30.1900
1396 CA HIS 10 0.0202 37.7243 29.3200
1406 CA PRO 11 0.0168 35.7683 27.5200
1413 CA ALA 12 0.0123 33.1892 27.1100
1418 CA PRO 13 0.0148 34.6364 28.4700
1425 CA SER 14 0.0161 35.3903 32.9100
1431 CA PHE 15 0.0175 36.2016 31.4900
1442 CA LYS 16 0.0226 39.1151 34.3300
1451 CA ALA 17 0.0187 36.8693 32.7100
1456 CA THR 18 0.0175 36.2010 33.1900
1463 CA ALA 19 0.0135 33.9184 28.1700
1468 CA VAL 20 0.0138 34.0874 29.3700
1475 CA MET 21 0.0191 37.1406 31.2600
1483 CA PRO 22 0.0269 41.5947 35.9500
1490 CA ASP 23 0.0901 77.9725 39.5900
1498 CA GLY 24 0.0610 61.1938 34.2000
1502 CA GLN 25 0.0444 51.6595 35.8800
1511 CA PHE 26 0.0290 42.7997 37.1600
1522 CA LYS 27 0.0317 44.3564 33.0700
1531 CA ASP 28 0.0314 44.1953 40.9200
1539 CA ILE 29 0.0173 36.0788 31.8600
1547 CA SER 30 0.0189 37.0143 32.4200
1553 CA LEU 31 0.0141 34.2269 30.8100
1561 CA SER 32 0.0237 39.7494 34.9100
1567 CA ASP 33 0.0226 39.1388 34.9700
1575 CA TYR 34 0.0172 36.0057 37.8500
1587 CA LYS 35 0.0238 39.8423 37.9500
1596 CA GLY 36 0.0269 41.6292 39.3500
1600 CA LYS 37 0.0136 33.9281 39.7700
1609 CA TYR 38 0.0092 31.4382 40.5900
1621 CA VAL 39 0.0064 29.8162 31.0300
1628 CA VAL 40 0.0054 29.2411 24.7900
1635 CA PHE 41 0.0044 28.6733 23.5100
1646 CA PHE 42 0.0039 28.3614 20.4000
1657 CA PHE 43 0.0049 28.9372 21.1200
1668 CA TYR 44 0.0052 29.1202 27.0600
1680 CA PRO 45 0.0078 30.6221 32.0500
1687 CA LEU 46 0.0091 31.3477 37.4400
1695 CA ASP 47 0.0108 32.3708 39.0400
1703 CA PHE 48 0.0173 36.0586 38.7700
1714 CA THR 49 0.0257 40.9055 48.1400
1721 CA PHE 50 0.0572 59.0482 59.3000
1732 CA VAL 51 0.0438 51.3212 55.8800
1739 CA CYS 52 0.0259 41.0138 48.1000
1745 CA PRO 53 0.0140 34.1814 41.8900
1752 CA THR 54 0.0090 31.3036 40.1100
1759 CA GLU 55 0.0056 29.3289 36.2000
1768 CA ILE 56 0.0049 28.9383 31.7500
1776 CA ILE 57 0.0092 31.3952 37.3000
1784 CA ALA 58 0.0113 32.6503 40.4900
1789 CA PHE 59 0.0083 30.8989 43.3100
1800 CA SER 60 0.0111 32.5350 39.6300
1806 CA ASP 61 0.0186 36.8187 45.1900
1814 CA ARG 62 0.0165 35.5980 38.7100
1825 CA ALA 63 0.0163 35.5154 43.1900
1830 CA GLU 64 0.0300 43.3954 47.1000
1839 CA GLU 65 0.0199 37.5535 41.6500
1848 CA PHE 66 0.0131 33.6865 38.7000
1859 CA LYS 67 0.0269 41.6190 42.8900
1868 CA LYS 68 0.0437 51.2535 46.1300
1877 CA LEU 69 0.0174 36.1574 45.6900
1885 CA ASN 70 0.0171 35.9543 45.1400
1893 CA CYS 71 0.0109 32.4017 36.8100
1899 CA GLN 72 0.0092 31.3970 28.5900
1908 CA VAL 73 0.0059 29.5271 26.5000
1915 CA ILE 74 0.0051 29.0413 23.7800
1923 CA GLY 75 0.0043 28.6040 24.3900
1927 CA ALA 76 0.0047 28.8396 24.2800
1932 CA SER 77 0.0072 30.2591 28.7400
1938 CA VAL 78 0.0101 31.9435 27.3800
1945 CA ASP 79 0.0129 33.5498 24.6800
1953 CA SER 80 0.0162 35.4336 28.3700
1959 CA HIS 81 0.0173 36.0956 34.8500
1969 CA PHE 82 0.0293 42.9660 37.5900
1980 CA SER 83 0.0189 37.0131 37.7300
1986 CA HIS 84 0.0120 33.0530 34.8800
1996 CA LEU 85 0.0202 37.7322 40.7800
2004 CA ALA 86 0.0245 40.2179 39.9200
2009 CA TRP 87 0.0169 35.8279 37.6000
2023 CA ILE 88 0.0177 36.3155 44.2000
2031 CA ASN 89 0.0358 46.7155 53.7900
2039 CA THR 90 0.0341 45.7711 63.3500
2046 CA PRO 91 0.0410 49.7271 71.4100
2053 CA LYS 92 0.0352 46.3675 69.6100
2062 CA LYS 93 0.1151 92.3507 72.8400
2071 CA GLN 94 0.0740 68.6821 72.9800
2080 CA GLY 95 0.0296 43.1329 66.0000
2084 CA GLY 96 0.0200 37.6285 52.1400
2088 CA LEU 97 0.0146 34.5387 50.6300
2096 CA GLY 98 0.0244 40.1629 52.4300
2100 CA PRO 99 0.0246 40.2763 51.0900
2107 CA MET 100 0.0137 34.0043 47.5500
2115 CA ASN 101 0.0145 34.4728 38.8300
2123 CA ILE 102 0.0102 31.9763 33.1400
2131 CA PRO 103 0.0080 30.7290 28.7300
2138 CA LEU 104 0.0064 29.7997 28.8400
2146 CA VAL 105 0.0076 30.4806 27.2600
2153 CA SER 106 0.0095 31.5734 28.9200
2159 CA ASP 107 0.0129 33.5747 30.9800
2167 CA PRO 108 0.0206 37.9672 28.2400
2174 CA LYS 109 0.0432 50.9899 34.6000
2183 CA ARG 110 0.0191 37.1048 29.9100
2194 CA THR 111 0.0216 38.5414 32.0500
2201 CA ILE 112 0.0123 33.1870 25.0300
2209 CA ALA 113 0.0112 32.5528 23.8400
2214 CA GLN 114 0.0179 36.4113 30.7400
2223 CA ASP 115 0.0147 34.5634 26.1200
2231 CA TYR 116 0.0105 32.1668 19.1600
2243 CA GLY 117 0.0120 33.0195 25.1300
2247 CA VAL 118 0.0095 31.5711 28.8400
2254 CA LEU 119 0.0163 35.4878 34.6500
2262 CA LYS 120 0.0185 36.7643 44.5900
2271 CA ALA 121 0.0595 60.3342 63.9200
2276 CA ASP 122 0.1149 92.2121 66.0900
2284 CA GLU 123 0.0593 60.2352 66.1100
2293 CA GLY 124 0.0417 50.1244 52.7300
2297 CA ILE 125 0.0161 35.3720 40.0200
2305 CA SER 126 0.0102 32.0170 34.0400
2311 CA PHE 127 0.0068 30.0417 29.3100
2322 CA ARG 128 0.0059 29.5102 31.3900
2333 CA GLY 129 0.0050 29.0079 34.1900
2337 CA LEU 130 0.0046 28.7763 25.5700
2345 CA PHE 131 0.0049 28.9661 28.6600
2356 CA ILE 132 0.0055 29.2943 25.0800
2364 CA ILE 133 0.0076 30.5099 26.5400
2372 CA ASP 134 0.0101 31.9261 32.8300
2380 CA ASP 135 0.0163 35.4886 36.8200
2388 CA LYS 136 0.0280 42.2389 28.1900
2397 CA GLY 137 0.0157 35.1568 26.6100
2401 CA ILE 138 0.0145 34.4570 26.0800
2409 CA LEU 139 0.0084 30.9781 24.7000
2417 CA ARG 140 0.0080 30.7563 28.8800
2428 CA GLN 141 0.0060 29.5753 26.0500
2437 CA ILE 142 0.0058 29.4837 26.7500
2445 CA THR 143 0.0056 29.3230 33.7100
2452 CA ILE 144 0.0057 29.4008 30.3300
2460 CA ASN 145 0.0066 29.9117 31.8000
2468 CA ASP 146 0.0070 30.1700 30.6300
2476 CA LEU 147 0.0084 30.9847 30.5500
2484 CA PRO 148 0.0088 31.2076 38.5200
2491 CA VAL 149 0.0093 31.4945 53.7400
2498 CA GLY 150 0.0090 31.2828 56.4900
2502 CA ARG 151 0.0092 31.4203 57.6200
2513 CA SER 152 0.0106 32.2064 50.1200
2519 CA VAL 153 0.0136 33.9570 40.8000
2526 CA ASP 154 0.0182 36.5733 43.6600
2534 CA GLU 155 0.0119 32.9713 40.1400
2543 CA ILE 156 0.0090 31.3037 32.4400
2551 CA LEU 157 0.0110 32.4788 30.5600
2559 CA ARG 158 0.0114 32.6748 32.6100
2570 CA LEU 159 0.0088 31.2018 32.2400
2578 CA VAL 160 0.0084 30.9698 33.2700
2585 CA GLN 161 0.0132 33.6968 36.3900
2594 CA ALA 162 0.0139 34.1372 35.2700
2599 CA PHE 163 0.0110 32.4389 33.5600
2610 CA GLN 164 0.0143 34.3729 38.4600
2619 CA PHE 165 0.0275 41.9541 41.6800
2630 CA THR 166 0.0218 38.6468 43.5000
2637 CA ASP 167 0.0359 46.7968 51.7600
2645 CA LYS 168 0.0598 60.5039 62.2600
2654 CA HIS 169 0.0623 61.9845 61.1800
2664 CA GLY 170 0.0527 56.4581 68.9400
2668 CA GLU 171 0.1023 84.9633 69.3600
2677 CA VAL 172 0.0634 62.5854 63.7200
2684 CA CYS 173 0.0350 46.2725 61.1200
2690 CA PRO 174 0.0341 45.7328 69.3300
2697 CA ALA 175 0.1533 114.2981 77.2500

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.