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

* TRANSPORT PROTEIN 21-OCT-10 3APV *

B-factor analysis for ID 240110225555577823

Overall B-factor prediction

Correlation= 0.384 for 343 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 PRO 3 0.3660 211.8537 59.9600
9 CA LEU 4 0.1034 85.7178 53.7900
17 CA CYS 5 0.0553 62.6336 43.9100
23 CA ALA 6 0.0851 76.9502 35.7400
28 CA ASN 7 0.0294 50.1795 29.8300
36 CA LEU 8 0.0241 47.6350 29.8300
44 CA VAL 9 0.0445 57.4691 35.3800
51 CA PRO 10 0.0301 50.5278 35.0000
58 CA VAL 11 0.0308 50.8621 36.9200
65 CA PRO 12 0.0343 52.5687 42.0600
72 CA ILE 13 0.0259 48.5055 39.8400
80 CA THR 14 0.0356 53.1922 48.6400
87 CA ASN 15 0.0385 54.5607 52.9900
95 CA ALA 16 0.0422 56.3301 51.6800
100 CA THR 17 0.0232 47.2357 41.2000
107 CA LEU 18 0.0204 45.8818 42.5300
115 CA ASP 19 0.0286 49.7933 48.2100
123 CA ARG 20 0.0217 46.4895 41.1600
134 CA ILE 21 0.0131 42.3542 34.2900
142 CA THR 22 0.0162 43.8765 40.4800
149 CA GLY 23 0.0141 42.8683 41.0100
153 CA LYS 24 0.0111 41.4116 38.2400
162 CA TRP 25 0.0091 40.4637 31.6300
176 CA PHE 26 0.0090 40.4137 31.7000
187 CA TYR 27 0.0085 40.1632 27.6000
199 CA ILE 28 0.0094 40.6040 29.6400
207 CA ALA 29 0.0107 41.2074 28.4400
212 CA SER 30 0.0114 41.5453 26.3900
218 CA ALA 31 0.0168 44.1621 30.0000
223 CA PHE 32 0.0205 45.9338 31.3400
234 CA ARG 33 0.0317 51.3144 38.7800
245 CA ASN 34 0.0339 52.3609 37.7700
253 CA GLU 35 0.0522 61.1585 46.3400
262 CA GLU 36 0.0509 60.5394 43.6200
271 CA TYR 37 0.0263 48.7113 35.5200
283 CA ASN 38 0.0278 49.4310 39.3300
291 CA LYS 39 0.0471 58.7165 46.3000
300 CA SER 40 0.0374 54.0431 40.0600
306 CA VAL 41 0.0219 46.5824 34.9300
313 CA GLN 42 0.0287 49.8834 43.5200
322 CA GLU 43 0.0234 47.3382 45.6200
331 CA ILE 44 0.0184 44.9116 37.6000
339 CA GLN 45 0.0195 45.4453 43.3800
348 CA ALA 46 0.0139 42.7343 38.9600
353 CA THR 47 0.0102 40.9669 33.6200
360 CA PHE 48 0.0095 40.6326 34.4800
371 CA PHE 49 0.0087 40.2538 32.6700
382 CA TYR 50 0.0104 41.0530 35.8100
394 CA PHE 51 0.0105 41.1305 34.0400
405 CA THR 52 0.0139 42.7803 42.9100
412 CA PRO 53 0.0186 45.0235 45.1500
419 CA ASN 54 0.0258 48.4944 57.5400
427 CA LYS 55 0.0352 53.0066 62.7200
436 CA THR 56 0.0625 66.1046 72.8700
443 CA GLU 57 0.0423 56.3922 63.5000
452 CA ASP 58 0.0282 49.6012 51.2600
460 CA THR 59 0.0188 45.1091 41.8400
467 CA ILE 60 0.0138 42.6885 36.5800
475 CA PHE 61 0.0124 42.0514 37.1100
486 CA LEU 62 0.0106 41.1729 31.9900
494 CA ARG 63 0.0110 41.3768 35.9600
505 CA GLU 64 0.0097 40.7498 32.7900
514 CA TYR 65 0.0110 41.3845 37.6400
526 CA GLN 66 0.0123 42.0014 36.4800
535 CA THR 67 0.0160 43.7709 44.3900
542 CA ARG 68 0.0210 46.1896 48.6400
553 CA GLN 69 0.0353 53.0156 62.1300
562 CA ASN 70 0.0373 54.0158 67.1800
570 CA GLN 71 0.0271 49.1056 62.7800
579 CA CYS 72 0.0197 45.5244 55.2100
585 CA PHE 73 0.0147 43.1202 45.0300
596 CA TYR 74 0.0126 42.1176 43.2800
608 CA ASN 75 0.0118 41.7571 39.3000
616 CA SER 76 0.0118 41.7481 39.1100
622 CA SER 77 0.0126 42.1357 36.2900
628 CA TYR 78 0.0128 42.2091 37.7800
640 CA LEU 79 0.0145 43.0424 33.0200
648 CA ASN 80 0.0172 44.3657 37.9900
656 CA VAL 81 0.0200 45.6902 38.1400
663 CA GLN 82 0.0258 48.4661 42.9800
672 CA ARG 83 0.0311 51.0309 46.6000
683 CA GLU 84 0.0508 60.4815 53.0200
692 CA ASN 85 0.0365 53.6271 42.5800
700 CA GLY 86 0.0223 46.7846 34.7800
704 CA THR 87 0.0171 44.3132 30.7000
711 CA VAL 88 0.0150 43.3083 29.4700
718 CA SER 89 0.0187 45.0849 32.3000
724 CA ARG 90 0.0175 44.4823 38.2800
735 CA TYR 91 0.0254 48.2818 47.9500
747 CA GLU 92 0.0330 51.9380 50.4900
756 CA GLY 93 0.0607 65.2267 55.8700
760 CA GLY 94 0.0515 60.8289 59.2300
764 CA ARG 95 0.0386 54.6127 56.0400
775 CA GLU 96 0.0291 50.0341 49.6500
784 CA HIS 97 0.0222 46.7357 37.1700
794 CA VAL 98 0.0208 46.0554 29.5800
801 CA ALA 99 0.0153 43.4128 24.6000
806 CA HIS 100 0.0144 42.9773 26.2100
816 CA LEU 101 0.0115 41.6269 25.0400
824 CA LEU 102 0.0121 41.9009 24.9700
832 CA PHE 103 0.0152 43.3948 25.7200
843 CA LEU 104 0.0178 44.6450 27.8000
851 CA ARG 105 0.0400 55.2682 35.9900
862 CA ASP 106 0.0296 50.3088 39.2800
870 CA THR 107 0.0281 49.5799 40.0300
877 CA LYS 108 0.0239 47.5384 36.6000
886 CA THR 109 0.0119 41.7732 27.1700
893 CA LEU 110 0.0091 40.4602 23.8400
901 CA MET 111 0.0078 39.8048 21.8200
909 CA PHE 112 0.0086 40.2158 21.4800
920 CA GLY 113 0.0125 42.0778 23.6300
924 CA SER 114 0.0165 44.0177 25.5000
930 CA TYR 115 0.0261 48.6368 32.4000
942 CA LEU 116 0.0264 48.7418 35.4400
950 CA ASP 117 0.0747 71.9410 45.2100
958 CA ASP 118 0.0564 63.1685 45.8000
966 CA GLU 119 0.0576 63.7507 47.9700
975 CA LYS 120 0.0665 68.0011 49.1700
984 CA ASN 121 0.0363 53.5003 38.6200
992 CA TRP 122 0.0257 48.4466 32.5900
1006 CA GLY 123 0.0157 43.6204 27.5300
1010 CA LEU 124 0.0111 41.4178 23.6900
1018 CA SER 125 0.0086 40.2081 22.3100
1024 CA PHE 126 0.0076 39.7180 23.2100
1035 CA TYR 127 0.0074 39.6391 24.9400
1047 CA ALA 128 0.0099 40.8473 29.8800
1052 CA ASP 129 0.0170 44.2255 38.6800
1060 CA LYS 130 0.0225 46.8636 43.1200
1069 CA PRO 131 0.0182 44.8444 42.9000
1076 CA GLU 132 0.0290 50.0000 48.0700
1085 CA THR 133 0.0329 51.8978 45.0100
1092 CA THR 134 0.0498 59.9918 44.7300
1099 CA LYS 135 0.0771 73.1239 41.0300
1108 CA GLU 136 0.0572 63.5730 36.2000
1117 CA GLN 137 0.0225 46.8879 31.3700
1126 CA LEU 138 0.0226 46.9315 31.9100
1134 CA GLY 139 0.0296 50.2769 32.7800
1138 CA GLU 140 0.0235 47.3882 28.3100
1147 CA PHE 141 0.0158 43.6704 26.5000
1158 CA TYR 142 0.0221 46.6946 31.0000
1170 CA GLU 143 0.0293 50.1294 33.1400
1179 CA ALA 144 0.0219 46.5847 28.8500
1184 CA LEU 145 0.0221 46.7167 31.6400
1192 CA ASP 146 0.0339 52.3642 38.0900
1200 CA CYS 147 0.0349 52.8631 38.1100
1206 CA LEU 148 0.0312 51.0624 35.7400
1214 CA ARG 149 0.0430 56.7106 42.2500
1225 CA ILE 150 0.0321 51.5038 38.7100
1233 CA PRO 151 0.0439 57.1805 43.7900
1240 CA ARG 152 0.0356 53.1925 40.4500
1251 CA SER 153 0.0526 61.3279 47.9600
1257 CA ASP 154 0.0394 55.0134 42.4200
1265 CA VAL 155 0.0206 45.9931 35.8300
1272 CA MET 156 0.0201 45.7186 38.6900
1280 CA TYR 157 0.0155 43.5069 36.8100
1292 CA THR 158 0.0161 43.8217 38.3600
1299 CA ASP 159 0.0305 50.7107 49.0800
1307 CA TRP 160 0.0244 47.7824 50.4800
1321 CA LYS 161 0.0550 62.4972 66.0800
1330 CA LYS 162 0.0325 51.6976 64.0700
1339 CA ASP 163 0.0220 46.6259 59.5800
1347 CA LYS 164 0.0253 48.2318 64.0000
1356 CA CYS 165 0.0194 45.3784 58.3200
1362 CA GLU 166 0.0251 48.1158 68.1100
1371 CA PRO 167 0.0386 54.6372 80.4600
1378 CA LEU 168 0.0252 48.1862 72.9700
1386 CA GLU 169 0.0224 46.8172 69.8200
1395 CA LYS 170 0.0455 57.9233 86.2100
1404 CA GLN 171 0.0469 58.5911 91.6800
1413 CA HIS 172 0.0471 58.6894 82.9200
1423 CA PRO 3 0.3890 222.9021 89.9800
1430 CA LEU 4 0.1260 96.5665 79.4800
1438 CA CYS 5 0.0551 62.5264 69.2000
1444 CA ALA 6 0.0794 74.2208 73.2300
1449 CA ASN 7 0.0288 49.9019 64.3400
1457 CA LEU 8 0.0233 47.2684 56.6500
1465 CA VAL 9 0.0427 56.5789 62.9500
1472 CA PRO 10 0.0280 49.5169 60.2400
1479 CA VAL 11 0.0280 49.5405 64.3200
1486 CA PRO 12 0.0317 51.2987 68.0900
1493 CA ILE 13 0.0248 47.9920 64.1700
1501 CA THR 14 0.0343 52.5589 73.8700
1508 CA ASN 15 0.0374 54.0392 76.9400
1516 CA ALA 16 0.0408 55.6620 80.0800
1521 CA THR 17 0.0223 46.8104 66.1200
1528 CA LEU 18 0.0196 45.4950 63.2400
1536 CA ASP 19 0.0268 48.9587 75.3700
1544 CA ARG 20 0.0206 45.9705 72.0600
1555 CA ILE 21 0.0125 42.1052 61.1700
1563 CA THR 22 0.0156 43.5740 64.9500
1570 CA GLY 23 0.0137 42.6462 63.2000
1574 CA LYS 24 0.0108 41.2752 59.3600
1583 CA TRP 25 0.0090 40.4081 52.0100
1597 CA PHE 26 0.0090 40.4193 48.1500
1608 CA TYR 27 0.0088 40.3255 40.8700
1620 CA ILE 28 0.0099 40.8423 43.2500
1628 CA ALA 29 0.0114 41.5666 38.6900
1633 CA SER 30 0.0121 41.8824 35.8800
1639 CA ALA 31 0.0177 44.5918 38.3500
1644 CA PHE 32 0.0215 46.3955 40.7100
1655 CA ARG 33 0.0329 51.8723 49.9000
1666 CA ASN 34 0.0356 53.1564 51.1600
1674 CA GLU 35 0.0578 63.8467 55.2000
1683 CA GLU 36 0.0575 63.6827 53.1000
1692 CA TYR 37 0.0283 49.6633 47.9000
1704 CA ASN 38 0.0299 50.4624 52.4100
1712 CA LYS 39 0.0568 63.3592 56.8500
1721 CA SER 40 0.0432 56.8416 50.9100
1727 CA VAL 41 0.0230 47.1250 46.4600
1734 CA GLN 42 0.0295 50.2724 51.9800
1743 CA GLU 43 0.0267 48.9124 55.2800
1752 CA ILE 44 0.0194 45.4207 49.4400
1760 CA GLN 45 0.0204 45.8678 55.4100
1769 CA ALA 46 0.0142 42.8989 52.7200
1774 CA THR 47 0.0102 40.9635 46.5800
1781 CA PHE 48 0.0092 40.5183 48.4200
1792 CA PHE 49 0.0084 40.1379 45.1500
1803 CA TYR 50 0.0098 40.8121 49.5100
1815 CA PHE 51 0.0103 41.0361 49.1800
1826 CA THR 52 0.0137 42.6765 57.6800
1833 CA PRO 53 0.0183 44.8928 60.1000
1840 CA ASN 54 0.0254 48.3029 66.3600
1848 CA LYS 55 0.0356 53.1799 74.3200
1857 CA THR 56 0.0630 66.3517 82.1600
1864 CA GLU 57 0.0445 57.4513 70.9800
1873 CA ASP 58 0.0288 49.9219 64.1000
1881 CA THR 59 0.0181 44.7884 54.7900
1888 CA ILE 60 0.0133 42.4832 50.7300
1896 CA PHE 61 0.0119 41.7967 49.8400
1907 CA LEU 62 0.0103 41.0265 44.7400
1915 CA ARG 63 0.0107 41.2354 48.3200
1926 CA GLU 64 0.0096 40.7121 44.8700
1935 CA TYR 65 0.0108 41.2662 48.8500
1947 CA GLN 66 0.0124 42.0236 47.4300
1956 CA THR 67 0.0164 43.9660 53.3500
1963 CA ARG 68 0.0227 46.9661 54.8100
1974 CA GLN 69 0.0520 61.0764 66.3200
1983 CA ASN 70 0.0431 56.7696 71.3000
1991 CA GLN 71 0.0311 51.0025 66.9400
2000 CA CYS 72 0.0210 46.1768 57.8000
2006 CA PHE 73 0.0151 43.3276 48.8800
2017 CA TYR 74 0.0125 42.0952 43.7200
2029 CA ASN 75 0.0117 41.7098 39.7300
2037 CA SER 76 0.0116 41.6476 40.2100
2043 CA SER 77 0.0126 42.1414 39.3000
2049 CA TYR 78 0.0129 42.2574 41.6100
2061 CA LEU 79 0.0144 42.9803 41.4200
2069 CA ASN 80 0.0167 44.1239 47.5100
2077 CA VAL 81 0.0193 45.3379 51.4000
2084 CA GLN 82 0.0246 47.9170 58.3800
2093 CA ARG 83 0.0308 50.8735 65.8600
2104 CA GLU 84 0.0479 59.0771 74.8500
2113 CA ASN 85 0.0352 52.9659 65.0500
2121 CA GLY 86 0.0213 46.2902 59.5800
2125 CA THR 87 0.0167 44.0818 52.4900
2132 CA VAL 88 0.0146 43.1142 49.1000
2139 CA SER 89 0.0177 44.5715 50.4700
2145 CA ARG 90 0.0171 44.2801 52.7300
2156 CA TYR 91 0.0250 48.1111 58.6000
2168 CA GLU 92 0.0327 51.7668 61.1400
2177 CA GLY 93 0.0663 67.8985 67.0700
2181 CA GLY 94 0.0588 64.3370 72.4200
2185 CA ARG 95 0.0413 55.9175 68.1600
2196 CA GLU 96 0.0279 49.4704 61.1400
2205 CA HIS 97 0.0221 46.6922 52.3700
2215 CA VAL 98 0.0193 45.3282 50.6600
2222 CA ALA 99 0.0146 43.0785 45.7300
2227 CA HIS 100 0.0135 42.5878 48.6300
2237 CA LEU 101 0.0110 41.3695 48.5400
2245 CA LEU 102 0.0117 41.6789 52.3100
2253 CA PHE 103 0.0149 43.2493 58.6500
2264 CA LEU 104 0.0176 44.5205 63.4800
2272 CA ARG 105 0.0522 61.1504 77.5800
2283 CA ASP 106 0.0306 50.7877 78.6400
2291 CA THR 107 0.0283 49.6846 79.7500
2298 CA LYS 108 0.0232 47.2320 74.4100
2307 CA THR 109 0.0121 41.8693 62.2000
2314 CA LEU 110 0.0091 40.4410 53.6700
2322 CA MET 111 0.0076 39.7195 46.0300
2330 CA PHE 112 0.0084 40.1147 41.3300
2341 CA GLY 113 0.0120 41.8269 42.5600
2345 CA SER 114 0.0161 43.8027 41.9300
2351 CA TYR 115 0.0245 47.8716 47.5000
2363 CA LEU 116 0.0246 47.9129 50.6000
2371 CA ASP 117 0.0546 62.3009 60.7800
2379 CA ASP 118 0.0533 61.6828 63.7200
2387 CA GLU 119 0.0594 64.5852 64.5000
2396 CA LYS 120 0.0674 68.4303 64.0600
2405 CA ASN 121 0.0359 53.3322 53.6200
2413 CA TRP 122 0.0255 48.3217 49.1000
2427 CA GLY 123 0.0160 43.7672 43.2100
2431 CA LEU 124 0.0113 41.4933 41.3300
2439 CA SER 125 0.0089 40.3650 40.3700
2445 CA PHE 126 0.0078 39.8410 43.8100
2456 CA TYR 127 0.0074 39.6477 46.1400
2468 CA ALA 128 0.0099 40.8431 55.8200
2473 CA ASP 129 0.0168 44.1653 64.6100
2481 CA LYS 130 0.0216 46.4596 69.2200
2490 CA PRO 131 0.0183 44.8567 66.6400
2497 CA GLU 132 0.0307 50.8132 71.2800
2506 CA THR 133 0.0321 51.4743 69.7900
2513 CA THR 134 0.0506 60.3978 80.0200
2520 CA LYS 135 0.0886 78.6343 79.2100
2529 CA GLU 136 0.0613 65.5144 79.8300
2538 CA GLN 137 0.0235 47.3716 69.1800
2547 CA LEU 138 0.0229 47.0811 62.2100
2555 CA GLY 139 0.0290 49.9888 64.8100
2559 CA GLU 140 0.0231 47.1795 61.2400
2568 CA PHE 141 0.0158 43.6489 52.4500
2579 CA TYR 142 0.0222 46.7348 54.9400
2591 CA GLU 143 0.0288 49.9294 59.3400
2600 CA ALA 144 0.0218 46.5553 52.1600
2605 CA LEU 145 0.0222 46.7356 50.2800
2613 CA ASP 146 0.0338 52.2929 59.7000
2621 CA CYS 147 0.0349 52.8388 60.2900
2627 CA LEU 148 0.0307 50.8317 55.4800
2635 CA ARG 149 0.0470 58.6590 58.8500
2646 CA ILE 150 0.0338 52.2930 52.5700
2654 CA PRO 151 0.0446 57.4956 57.1400
2661 CA ARG 152 0.0374 54.0569 55.1100
2672 CA SER 153 0.0593 64.5503 57.5300
2678 CA ASP 154 0.0417 56.0918 50.6000
2686 CA VAL 155 0.0222 46.7380 46.1700
2693 CA MET 156 0.0213 46.2941 45.9800
2701 CA TYR 157 0.0165 44.0160 48.8400
2713 CA THR 158 0.0168 44.1516 49.3400
2720 CA ASP 159 0.0284 49.7349 60.9900
2728 CA TRP 160 0.0237 47.4617 67.5100
2742 CA LYS 161 0.0486 59.4377 78.7100
2751 CA LYS 162 0.0340 52.4028 71.4400
2760 CA ASP 163 0.0216 46.4777 67.1100
2768 CA LYS 164 0.0251 48.1294 70.3900
2777 CA CYS 165 0.0182 44.8123 62.2800
2783 CA GLU 166 0.0221 46.6888 70.9800
2792 CA PRO 167 0.0332 52.0047 80.8800
2799 CA LEU 168 0.0228 47.0361 70.4800
2807 CA GLU 169 0.0199 45.6442 70.5600
2816 CA LYS 170 0.0364 53.5705 88.1800
2825 CA GLN 171 0.0351 52.9334 89.1100
2834 CA HIS 172 0.0316 51.2394 78.0300
2844 CA GLU 173 0.0698 69.5974 88.1700
2853 CA LYS 174 0.1091 88.4687 103.0500
2862 CA GLU 175 0.1476 106.9441 94.6800

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.