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

* TRANSPORT PROTEIN 21-OCT-10 3APU *

B-factor analysis for ID 240110225702578652

Overall B-factor prediction

Correlation= 0.410 for 347 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 GLN 1 0.4858 262.2728 67.1000
11 CA ILE 2 0.1781 119.4754 57.2200
19 CA PRO 3 0.0969 81.8268 52.8800
26 CA LEU 4 0.0523 61.1252 46.8200
34 CA CYS 5 0.0424 56.5078 42.1300
40 CA ALA 6 0.0486 59.3999 39.1500
45 CA ASN 7 0.0253 48.5834 34.2900
53 CA LEU 8 0.0225 47.2749 31.6100
61 CA VAL 9 0.0394 55.1331 34.5100
68 CA PRO 10 0.0276 49.6424 33.5000
75 CA VAL 11 0.0296 50.5582 36.6100
82 CA PRO 12 0.0328 52.0804 39.3200
89 CA ILE 13 0.0251 48.4914 36.9600
97 CA THR 14 0.0352 53.1938 45.5500
104 CA ASN 15 0.0401 55.4391 49.2200
112 CA ALA 16 0.0419 56.3019 46.4300
117 CA THR 17 0.0229 47.4695 38.5000
124 CA LEU 18 0.0204 46.3155 38.5300
132 CA ASP 19 0.0288 50.1909 46.4200
140 CA ARG 20 0.0220 47.0566 41.7700
151 CA ILE 21 0.0130 42.8705 34.3700
159 CA THR 22 0.0163 44.4175 39.3800
166 CA GLY 23 0.0142 43.4259 41.7300
170 CA LYS 24 0.0110 41.9272 38.2600
179 CA TRP 25 0.0091 41.0750 34.2900
193 CA PHE 26 0.0091 41.0434 34.7500
204 CA TYR 27 0.0086 40.8378 29.9600
216 CA ILE 28 0.0095 41.2449 30.0000
224 CA ALA 29 0.0110 41.9330 28.5400
229 CA SER 30 0.0118 42.3103 26.6500
235 CA ALA 31 0.0174 44.8991 29.5800
240 CA PHE 32 0.0212 46.6630 30.3200
251 CA ARG 33 0.0334 52.3353 38.7700
262 CA ASN 34 0.0370 53.9890 37.4900
270 CA GLU 35 0.0567 63.1476 45.3400
279 CA GLU 36 0.0581 63.7887 42.8000
288 CA TYR 37 0.0287 50.1619 34.9100
300 CA ASN 38 0.0290 50.2918 38.6900
308 CA LYS 39 0.0504 60.2214 46.6500
317 CA SER 40 0.0394 55.1209 45.2500
323 CA VAL 41 0.0227 47.3820 43.1700
330 CA GLN 42 0.0305 50.9923 52.2000
339 CA GLU 43 0.0242 48.0644 54.2100
348 CA ILE 44 0.0184 45.3713 44.0600
356 CA GLN 45 0.0195 45.8706 46.7500
365 CA ALA 46 0.0138 43.2602 39.5600
370 CA THR 47 0.0099 41.4503 34.3300
377 CA PHE 48 0.0093 41.1613 35.0000
388 CA PHE 49 0.0086 40.8448 33.6300
399 CA TYR 50 0.0103 41.6062 35.5000
411 CA PHE 51 0.0105 41.7156 34.9200
422 CA THR 52 0.0141 43.3814 41.8000
429 CA PRO 53 0.0192 45.7513 43.3300
436 CA ASN 54 0.0285 50.0621 50.7400
444 CA LYS 55 0.0372 54.0873 53.8700
453 CA THR 56 0.0670 67.9246 61.7300
460 CA GLU 57 0.0497 59.9229 54.9300
469 CA ASP 58 0.0291 50.3337 45.7800
477 CA THR 59 0.0193 45.7743 39.3600
484 CA ILE 60 0.0140 43.3224 36.3000
492 CA PHE 61 0.0123 42.5632 38.2600
503 CA LEU 62 0.0106 41.7760 33.7900
511 CA ARG 63 0.0108 41.8689 37.8400
522 CA GLU 64 0.0096 41.2977 34.7700
531 CA TYR 65 0.0107 41.7900 39.1600
543 CA GLN 66 0.0116 42.2102 37.6200
552 CA THR 67 0.0154 43.9738 45.4300
559 CA ARG 68 0.0200 46.1306 49.6500
570 CA GLN 69 0.0348 52.9894 60.8800
579 CA ASN 70 0.0377 54.3562 64.8800
587 CA GLN 71 0.0239 47.9247 60.9500
596 CA CYS 72 0.0185 45.4039 53.2400
602 CA PHE 73 0.0135 43.1007 45.4900
613 CA TYR 74 0.0120 42.3915 41.5800
625 CA ASN 75 0.0118 42.3000 39.2500
633 CA SER 76 0.0119 42.3429 38.6900
639 CA SER 77 0.0128 42.7633 37.2500
645 CA TYR 78 0.0131 42.9371 35.3600
657 CA LEU 79 0.0144 43.5015 30.3200
665 CA ASN 80 0.0167 44.6054 35.5100
673 CA VAL 81 0.0195 45.8970 34.9900
680 CA GLN 82 0.0246 48.2416 40.3500
689 CA ARG 83 0.0307 51.0788 42.7300
700 CA GLU 84 0.0490 59.5863 46.8600
709 CA ASN 85 0.0367 53.8769 40.4500
717 CA GLY 86 0.0217 46.9210 34.1900
721 CA THR 87 0.0165 44.4959 29.8500
728 CA VAL 88 0.0142 43.4234 30.8300
735 CA SER 89 0.0163 44.4229 33.9700
741 CA ARG 90 0.0159 44.1961 40.3400
752 CA TYR 91 0.0215 46.8115 53.0400
764 CA GLU 92 0.0287 50.1479 60.1000
773 CA GLY 93 0.0484 59.2771 66.3700
777 CA GLY 94 0.0419 56.2876 69.8300
781 CA ARG 95 0.0413 56.0252 64.4300
792 CA GLU 96 0.0283 49.9845 55.6300
801 CA HIS 97 0.0219 46.9992 42.1300
811 CA VAL 98 0.0185 45.4387 32.2500
818 CA ALA 99 0.0146 43.6230 24.9500
823 CA HIS 100 0.0136 43.1647 25.9700
833 CA LEU 101 0.0110 41.9423 24.6900
841 CA LEU 102 0.0112 42.0239 25.1800
849 CA PHE 103 0.0137 43.1928 30.6000
860 CA LEU 104 0.0162 44.3667 36.2000
868 CA ARG 105 0.0322 51.7705 45.0100
879 CA ASP 106 0.0273 49.5161 45.9700
887 CA THR 107 0.0265 49.1523 45.0600
894 CA LYS 108 0.0225 47.3034 40.7300
903 CA THR 109 0.0112 42.0150 31.0700
910 CA LEU 110 0.0087 40.8671 27.0500
918 CA MET 111 0.0074 40.2609 23.6000
926 CA PHE 112 0.0085 40.7638 22.2400
937 CA GLY 113 0.0123 42.5416 23.6900
941 CA SER 114 0.0173 44.8735 27.9000
947 CA TYR 115 0.0282 49.9042 34.9100
959 CA LEU 116 0.0274 49.5404 36.3300
967 CA ASP 117 0.0737 71.0339 45.9200
975 CA ASP 118 0.0577 63.6091 45.4800
983 CA GLU 119 0.0588 64.1306 46.7500
992 CA LYS 120 0.0692 68.9358 45.7700
1001 CA ASN 121 0.0385 54.7173 36.9400
1009 CA TRP 122 0.0269 49.3403 31.6000
1023 CA GLY 123 0.0164 44.4495 27.6300
1027 CA LEU 124 0.0113 42.0792 24.0000
1035 CA SER 125 0.0088 40.9439 22.8100
1041 CA PHE 126 0.0075 40.3183 23.9300
1052 CA TYR 127 0.0073 40.2247 25.4300
1064 CA ALA 128 0.0098 41.3679 30.8700
1069 CA ASP 129 0.0172 44.8211 40.1900
1077 CA LYS 130 0.0224 47.2166 45.5100
1086 CA PRO 131 0.0182 45.2776 47.1100
1093 CA GLU 132 0.0306 51.0475 53.2000
1102 CA THR 133 0.0311 51.2517 48.1600
1109 CA THR 134 0.0451 57.7827 49.1900
1116 CA LYS 135 0.0720 70.2723 45.0400
1125 CA GLU 136 0.0543 62.0354 40.8700
1134 CA GLN 137 0.0218 46.9622 34.5800
1143 CA LEU 138 0.0221 47.1171 33.8800
1151 CA GLY 139 0.0288 50.1990 35.6300
1155 CA GLU 140 0.0222 47.1358 31.3200
1164 CA PHE 141 0.0151 43.8405 29.0300
1175 CA TYR 142 0.0215 46.8162 34.3700
1187 CA GLU 143 0.0269 49.3120 36.6000
1196 CA ALA 144 0.0202 46.2329 31.6000
1201 CA LEU 145 0.0215 46.8383 35.7200
1209 CA ASP 146 0.0329 52.0837 42.8200
1217 CA CYS 147 0.0339 52.5563 41.4400
1223 CA LEU 148 0.0306 51.0382 36.3500
1231 CA ARG 149 0.0423 56.4657 42.2400
1242 CA ILE 150 0.0327 52.0337 38.0400
1250 CA PRO 151 0.0442 57.3498 43.0900
1257 CA ARG 152 0.0358 53.4708 40.4500
1268 CA SER 153 0.0533 61.5891 46.4600
1274 CA ASP 154 0.0393 55.0667 42.6600
1282 CA VAL 155 0.0209 46.5389 36.0100
1289 CA MET 156 0.0204 46.2965 37.1300
1297 CA TYR 157 0.0155 44.0229 36.2800
1309 CA THR 158 0.0162 44.3572 38.2900
1316 CA ASP 159 0.0297 50.6301 49.9000
1324 CA TRP 160 0.0241 48.0014 53.4900
1338 CA LYS 161 0.0545 62.1327 66.6700
1347 CA LYS 162 0.0315 51.4511 62.1500
1356 CA ASP 163 0.0203 46.2684 57.8900
1364 CA LYS 164 0.0237 47.8230 63.0900
1373 CA CYS 165 0.0186 45.4483 57.4700
1379 CA GLU 166 0.0247 48.2928 65.4900
1388 CA PRO 167 0.0362 53.6555 73.9300
1395 CA LEU 168 0.0243 48.1304 65.5900
1403 CA GLU 169 0.0223 47.2061 64.0100
1412 CA LYS 170 0.0415 56.0786 80.0800
1421 CA GLN 171 0.0458 58.0782 86.5700
1430 CA HIS 172 0.0372 54.0810 81.0400
1440 CA GLU 173 0.0731 70.7399 88.4900
1449 CA LYS 174 0.1224 93.6377 103.6800
1458 CA GLU 175 0.1754 118.2290 99.7800
1467 CA ILE 2 0.1841 122.2748 85.9000
1475 CA PRO 3 0.1435 103.4333 81.9900
1482 CA LEU 4 0.0547 62.2290 71.2900
1490 CA CYS 5 0.0468 58.5547 69.0300
1496 CA ALA 6 0.0486 59.3947 69.9100
1501 CA ASN 7 0.0280 49.8208 58.8200
1509 CA LEU 8 0.0238 47.8714 54.1500
1517 CA VAL 9 0.0387 54.8200 60.9700
1524 CA PRO 10 0.0251 48.4898 58.9700
1531 CA VAL 11 0.0251 48.5072 62.8800
1538 CA PRO 12 0.0334 52.3325 70.6900
1545 CA ILE 13 0.0237 47.8514 65.8800
1553 CA THR 14 0.0355 53.3309 79.0600
1560 CA ASN 15 0.0361 53.5730 81.2600
1568 CA ALA 16 0.0388 54.8474 81.8300
1573 CA THR 17 0.0243 48.1349 65.6600
1580 CA LEU 18 0.0198 46.0210 61.0800
1588 CA ASP 19 0.0282 49.9035 70.5400
1596 CA ARG 20 0.0190 45.6629 64.9800
1607 CA ILE 21 0.0132 42.9700 54.5500
1615 CA THR 22 0.0155 44.0267 60.6000
1622 CA GLY 23 0.0155 44.0117 59.9700
1626 CA LYS 24 0.0112 42.0221 55.8700
1635 CA TRP 25 0.0085 40.7830 46.7300
1649 CA PHE 26 0.0087 40.8896 44.7000
1660 CA TYR 27 0.0079 40.5053 37.9900
1672 CA ILE 28 0.0100 41.4783 42.2400
1680 CA ALA 29 0.0113 42.0777 40.4600
1685 CA SER 30 0.0124 42.5934 38.9500
1691 CA ALA 31 0.0166 44.5335 43.0800
1696 CA PHE 32 0.0219 46.9832 45.6500
1707 CA ARG 33 0.0317 51.5444 55.5000
1718 CA ASN 34 0.0367 53.8588 53.9000
1726 CA GLU 35 0.0489 59.5469 60.6100
1735 CA GLU 36 0.0494 59.7564 56.9600
1744 CA TYR 37 0.0297 50.6220 48.2900
1756 CA ASN 38 0.0290 50.2821 53.8200
1764 CA LYS 39 0.0507 60.3732 62.1600
1773 CA SER 40 0.0354 53.2834 56.4500
1779 CA VAL 41 0.0226 47.3493 50.9000
1786 CA GLN 42 0.0263 49.0615 58.7900
1795 CA GLU 43 0.0258 48.7934 60.1600
1804 CA ILE 44 0.0179 45.1242 48.4700
1812 CA GLN 45 0.0187 45.5069 53.0600
1821 CA ALA 46 0.0127 42.7422 47.5700
1826 CA THR 47 0.0098 41.4061 40.5600
1833 CA PHE 48 0.0089 40.9811 43.3100
1844 CA PHE 49 0.0087 40.8865 41.2200
1855 CA TYR 50 0.0094 41.1888 46.1800
1867 CA PHE 51 0.0099 41.4514 45.9300
1878 CA THR 52 0.0151 43.8696 54.7400
1885 CA PRO 53 0.0177 45.0690 57.5100
1892 CA ASN 54 0.0304 50.9507 65.2400
1900 CA LYS 55 0.0323 51.8071 77.1600
1909 CA THR 56 0.0853 76.4024 86.3300
1916 CA GLU 57 0.0581 63.7914 72.3100
1925 CA ASP 58 0.0265 49.1392 62.7300
1933 CA THR 59 0.0202 46.2130 52.0600
1940 CA ILE 60 0.0121 42.4412 46.8600
1948 CA PHE 61 0.0112 42.0338 45.2300
1959 CA LEU 62 0.0101 41.5343 40.0900
1967 CA ARG 63 0.0102 41.5917 43.2900
1978 CA GLU 64 0.0102 41.5619 40.1000
1987 CA TYR 65 0.0109 41.9091 43.3000
1999 CA GLN 66 0.0125 42.6331 42.6800
2008 CA THR 67 0.0156 44.0648 52.3600
2015 CA ARG 68 0.0223 47.2062 56.5400
2026 CA GLN 69 0.0370 53.9940 71.1500
2035 CA ASN 70 0.0370 54.0152 77.4300
2043 CA GLN 71 0.0292 50.4094 70.3500
2052 CA CYS 72 0.0177 45.0593 58.9300
2058 CA PHE 73 0.0164 44.4593 47.1500
2069 CA TYR 74 0.0124 42.6150 42.8700
2081 CA ASN 75 0.0121 42.4376 38.9600
2089 CA SER 76 0.0116 42.2396 39.8400
2095 CA SER 77 0.0119 42.3557 38.0000
2101 CA TYR 78 0.0120 42.4249 40.0700
2113 CA LEU 79 0.0126 42.6872 39.1300
2121 CA ASN 80 0.0171 44.7750 48.2900
2129 CA VAL 81 0.0170 44.7288 54.3800
2136 CA GLN 82 0.0253 48.5926 64.8800
2145 CA ARG 83 0.0268 49.2963 73.2300
2156 CA GLU 84 0.0482 59.2135 84.0000
2165 CA ASN 85 0.0382 54.5814 73.0400
2173 CA GLY 86 0.0200 46.1303 65.0000
2177 CA THR 87 0.0175 44.9591 57.0500
2184 CA VAL 88 0.0130 42.8699 51.8800
2191 CA SER 89 0.0161 44.2945 51.5900
2197 CA ARG 90 0.0147 43.6411 52.6800
2208 CA TYR 91 0.0179 45.1631 59.9100
2220 CA GLU 92 0.0280 49.8499 63.7600
2229 CA GLY 93 0.0385 54.7076 69.3000
2233 CA GLY 94 0.0402 55.5156 70.4800
2237 CA ARG 95 0.0315 51.4485 68.2900
2248 CA GLU 96 0.0256 48.7354 62.1400
2257 CA HIS 97 0.0224 47.2225 52.9200
2267 CA VAL 98 0.0171 44.7593 49.0100
2274 CA ALA 99 0.0143 43.4815 42.8900
2279 CA HIS 100 0.0135 43.1196 45.6700
2289 CA LEU 101 0.0108 41.8489 44.3500
2297 CA LEU 102 0.0124 42.6003 46.8200
2305 CA PHE 103 0.0141 43.3665 52.6700
2316 CA LEU 104 0.0203 46.2421 56.1700
2324 CA ARG 105 0.0391 54.9908 67.8400
2335 CA ASP 106 0.0269 49.3416 67.3800
2343 CA THR 107 0.0270 49.3533 66.9700
2350 CA LYS 108 0.0260 48.9053 61.1700
2359 CA THR 109 0.0125 42.6406 50.0500
2366 CA LEU 110 0.0081 40.6221 45.2800
2374 CA MET 111 0.0079 40.5101 39.2900
2382 CA PHE 112 0.0084 40.7254 38.2000
2393 CA GLY 113 0.0115 42.1917 42.5600
2397 CA SER 114 0.0195 45.8797 44.3300
2403 CA TYR 115 0.0277 49.6867 53.2400
2415 CA LEU 116 0.0295 50.5097 55.4800
2423 CA ASP 117 0.0663 67.5836 67.5800
2431 CA ASP 118 0.0582 63.8500 67.9300
2439 CA GLU 119 0.0616 65.4036 70.2600
2448 CA LYS 120 0.0694 69.0363 69.6700
2457 CA ASN 121 0.0387 54.8029 56.6500
2465 CA TRP 122 0.0259 48.8751 49.5800
2479 CA GLY 123 0.0182 45.2717 42.6700
2483 CA LEU 124 0.0109 41.8978 39.3200
2491 CA SER 125 0.0087 40.8917 37.9500
2497 CA PHE 126 0.0076 40.3764 38.1300
2508 CA TYR 127 0.0073 40.2102 39.0100
2520 CA ALA 128 0.0101 41.5196 47.0700
2525 CA ASP 129 0.0159 44.1953 57.0600
2533 CA LYS 130 0.0222 47.1425 63.2100
2542 CA PRO 131 0.0186 45.4887 62.7400
2549 CA GLU 132 0.0299 50.7272 67.4700
2558 CA THR 133 0.0253 48.5790 64.2500
2565 CA THR 134 0.0611 65.1813 70.3500
2572 CA LYS 135 0.0743 71.3039 70.1100
2581 CA GLU 136 0.0413 56.0178 67.5200
2590 CA GLN 137 0.0245 48.2000 57.4200
2599 CA LEU 138 0.0235 47.7268 53.0200
2607 CA GLY 139 0.0295 50.5420 54.5600
2611 CA GLU 140 0.0218 46.9760 50.5600
2620 CA PHE 141 0.0151 43.8584 44.1000
2631 CA TYR 142 0.0234 47.6829 48.8500
2643 CA GLU 143 0.0285 50.0757 54.1400
2652 CA ALA 144 0.0214 46.7873 50.3600
2657 CA LEU 145 0.0213 46.7161 51.1700
2665 CA ASP 146 0.0343 52.7690 60.9900
2673 CA CYS 147 0.0367 53.8599 62.9600
2679 CA LEU 148 0.0314 51.4132 59.6000
2687 CA ARG 149 0.0425 56.5692 64.5000
2698 CA ILE 150 0.0329 52.1004 58.0700
2706 CA PRO 151 0.0440 57.2547 62.3700
2713 CA ARG 152 0.0387 54.8207 59.3500
2724 CA SER 153 0.0562 62.9384 66.7100
2730 CA ASP 154 0.0368 53.9254 60.5200
2738 CA VAL 155 0.0245 48.2251 52.3000
2745 CA MET 156 0.0190 45.6668 51.5600
2753 CA TYR 157 0.0176 44.9997 50.4600
2765 CA THR 158 0.0167 44.5694 50.4100
2772 CA ASP 159 0.0248 48.3602 63.4800
2780 CA TRP 160 0.0251 48.4787 67.6600
2794 CA LYS 161 0.0407 55.7304 82.6100
2803 CA LYS 162 0.0291 50.3576 76.5800
2812 CA ASP 163 0.0208 46.4745 69.3300
2820 CA LYS 164 0.0241 48.0050 73.9400
2829 CA CYS 165 0.0195 45.9070 66.8300
2835 CA GLU 166 0.0254 48.6165 77.4100
2844 CA PRO 167 0.0377 54.3412 87.6600
2851 CA LEU 168 0.0245 48.2061 75.7000
2859 CA GLU 169 0.0204 46.3119 72.5000
2868 CA LYS 170 0.0529 61.3701 90.5800
2877 CA GLN 171 0.0548 62.2800 92.7700
2886 CA HIS 172 0.0434 56.9576 82.2000
2896 CA GLU 173 0.0942 80.5727 93.2300

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.