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

* TPPP_av_complex *

B-factor analysis for ID 2403081621082348546

Overall B-factor prediction

Correlation= 0.437 for 219 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
5 CA MET 1 0.0707 949.7335 1536.4000
22 CA ALA 2 0.0610 787.2495 972.6100
32 CA ASP 3 0.0907 1284.4701 885.5700
44 CA LYS 4 0.1489 2257.7058 1304.4000
66 CA ALA 5 0.1655 2535.0416 864.8200
76 CA LYS 6 0.1810 2795.1484 1361.1000
97 CA PRO 7 0.1824 2817.6310 828.7100
112 CA ALA 8 0.1265 1882.3291 422.8600
122 CA LYS 9 0.1124 1646.5744 529.3500
144 CA ALA 10 0.1011 1458.4099 385.3200
154 CA ALA 11 0.1125 1648.2223 445.2500
164 CA ASN 12 0.0936 1332.9552 416.8700
178 CA ARG 13 0.0538 667.5328 149.4700
202 CA THR 14 0.0387 414.2432 164.4800
215 CA PRO 15 0.0368 382.8221 152.4500
229 CA PRO 16 0.0227 147.2380 118.5200
244 CA LYS 17 0.0209 115.9933 254.4600
266 CA SER 18 0.0185 75.3239 196.3600
276 CA PRO 19 0.0261 203.4620 272.6100
291 CA GLY 20 0.0264 208.6979 214.2900
298 CA ASP 21 0.0350 352.7137 173.9700
309 CA PRO 22 0.0337 331.2590 252.3500
324 CA SER 23 0.0291 253.5372 439.7100
335 CA LYS 24 0.0256 194.4449 739.6600
357 CA ASP 25 0.0379 400.7244 675.5300
369 CA ARG 26 0.0431 487.5820 681.7000
393 CA ALA 27 0.0517 631.3091 630.5700
403 CA ALA 28 0.1024 1479.6879 769.6300
413 CA LYS 29 0.1275 1899.5893 954.8800
435 CA ARG 30 0.1034 1496.6679 927.3400
459 CA LEU 31 0.0661 872.8672 446.4000
478 CA SER 32 0.0451 521.5523 272.4500
489 CA LEU 33 0.0243 173.7794 231.9800
508 CA GLU 34 0.0352 356.2624 81.4200
523 CA SER 35 0.0272 221.4908 53.5100
534 CA GLU 36 0.0303 272.9030 71.2200
549 CA GLY 37 0.0175 58.6715 49.5200
556 CA ALA 38 0.0174 58.4471 63.4200
566 CA GLY 39 0.0222 138.3669 90.9800
573 CA GLU 40 0.0246 178.6517 163.1600
588 CA GLY 41 0.0284 241.3825 138.7900
595 CA ALA 42 0.0264 209.1339 140.4700
605 CA ALA 43 0.0148 13.8933 109.2200
615 CA ALA 44 0.0183 73.4229 189.7100
625 CA SER 45 0.0163 38.8819 137.3500
635 CA PRO 46 0.0180 67.8113 159.2500
650 CA GLU 47 0.0220 135.1212 324.4200
665 CA LEU 48 0.0194 91.9794 459.2300
684 CA SER 49 0.0273 222.8270 232.1400
695 CA ALA 50 0.0168 47.4190 230.7700
705 CA LEU 51 0.0087 -88.0277 121.4400
724 CA GLU 52 0.0109 -50.6804 249.3100
739 CA GLU 53 0.0119 -34.5975 371.4500
754 CA ALA 54 0.0090 -82.7419 128.1400
764 CA PHE 55 0.0075 -107.5870 163.0300
784 CA ARG 56 0.0126 -22.1497 275.7900
808 CA ARG 57 0.0114 -42.4086 205.1200
832 CA PHE 58 0.0108 -52.8442 145.1000
852 CA ALA 59 0.0094 -75.7991 155.3500
862 CA VAL 60 0.0141 3.2350 250.3200
878 CA HIS 61 0.0177 62.4669 77.7500
895 CA GLY 62 0.0221 136.9255 82.3200
902 CA ASP 63 0.0332 322.7657 197.8600
914 CA ALA 64 0.0302 271.3679 204.8100
924 CA ARG 65 0.0247 180.3202 217.8300
948 CA ALA 66 0.0233 157.0834 325.7900
958 CA THR 67 0.0391 421.6189 480.7700
972 CA GLY 68 0.0384 409.3110 381.5500
979 CA ARG 69 0.0203 106.4976 424.2700
1003 CA GLU 70 0.0168 47.6161 333.5900
1018 CA MET 71 0.0127 -21.4909 171.8900
1035 CA HIS 72 0.0190 84.4798 283.3800
1052 CA GLY 73 0.0216 128.7301 187.7400
1059 CA LYS 74 0.0294 258.5950 284.1800
1081 CA ASN 75 0.0201 103.2108 105.8800
1095 CA TRP 76 0.0152 20.4979 160.9800
1119 CA SER 77 0.0269 216.3086 168.4100
1130 CA LYS 78 0.0310 285.4091 332.9300
1152 CA LEU 79 0.0206 110.5635 218.4600
1171 CA CYS 80 0.0205 108.9410 262.2700
1182 CA LYS 81 0.0338 331.8602 289.6500
1204 CA ASP 82 0.0372 389.4035 243.2700
1216 CA CYS 83 0.0274 224.3420 172.8300
1227 CA GLN 84 0.0340 336.0628 298.4900
1244 CA VAL 85 0.0268 214.5525 174.0400
1260 CA ILE 86 0.0363 374.4755 153.8700
1279 CA ASP 87 0.0568 716.9335 251.4800
1291 CA GLY 88 0.0675 895.1618 244.2200
1298 CA ARG 89 0.0793 1093.6102 471.8300
1322 CA ASN 90 0.0563 708.3470 233.1500
1336 CA VAL 91 0.0391 421.0053 134.6200
1352 CA THR 92 0.0460 536.8957 146.4100
1366 CA VAL 93 0.0412 455.8388 168.0800
1382 CA THR 94 0.0413 456.9622 150.5100
1396 CA ASP 95 0.0289 249.8220 114.0400
1408 CA VAL 96 0.0197 96.1613 103.4400
1424 CA ASP 97 0.0233 155.9323 130.9300
1436 CA ILE 98 0.0256 195.2650 118.0000
1455 CA VAL 99 0.0155 26.5661 70.1300
1471 CA PHE 100 0.0121 -31.0755 115.9100
1491 CA SER 101 0.0209 116.3942 145.9400
1502 CA LYS 102 0.0250 185.1376 316.8700
1524 CA ILE 103 0.0195 92.7199 192.8700
1543 CA LYS 104 0.0273 223.1288 524.3000
1565 CA GLY 105 0.0461 538.4679 435.7400
1572 CA LYS 106 0.0385 410.3150 549.3300
1594 CA SER 107 0.0317 296.8041 337.8800
1605 CA CYS 108 0.0281 237.1282 296.6300
1616 CA ARG 109 0.0217 130.1957 551.7900
1640 CA THR 110 0.0199 99.7836 266.7500
1654 CA ILE 111 0.0125 -24.3465 141.0700
1673 CA THR 112 0.0133 -10.0212 150.9000
1687 CA PHE 113 0.0095 -73.7004 158.3500
1707 CA GLU 114 0.0128 -19.9178 200.1700
1722 CA GLN 115 0.0100 -66.8394 132.5300
1739 CA PHE 116 0.0054 -142.2831 72.7000
1759 CA GLN 117 0.0069 -118.1156 128.5200
1776 CA GLU 118 0.0095 -74.3324 78.8200
1791 CA ALA 119 0.0078 -103.3342 26.0400
1801 CA LEU 120 0.0074 -109.7802 41.9900
1820 CA GLU 121 0.0123 -27.5111 94.7800
1835 CA GLU 122 0.0153 22.7664 68.1600
1850 CA LEU 123 0.0160 34.3807 63.9100
1869 CA ALA 124 0.0195 93.5423 70.5200
1879 CA LYS 125 0.0274 225.2980 149.7300
1901 CA LYS 126 0.0321 303.8710 146.0100
1923 CA ARG 127 0.0369 384.7007 192.5400
1947 CA PHE 128 0.0410 452.7751 151.4200
1967 CA LYS 129 0.0575 728.6075 307.3200
1989 CA ASP 130 0.0842 1174.6516 380.5300
2001 CA LYS 131 0.1073 1561.3578 605.1800
2023 CA SER 132 0.1170 1724.3295 403.9900
2034 CA SER 133 0.0634 826.8592 257.1800
2045 CA GLU 134 0.0557 698.7121 288.5900
2060 CA GLU 135 0.0471 555.0759 265.7600
2075 CA ALA 136 0.0322 305.0353 129.0700
2085 CA VAL 137 0.0247 179.6953 151.6400
2101 CA ARG 138 0.0273 223.4988 256.9400
2125 CA GLU 139 0.0223 140.4587 176.6200
2140 CA VAL 140 0.0129 -16.9636 85.6200
2156 CA HIS 141 0.0123 -26.9952 127.1000
2173 CA ARG 142 0.0210 117.5800 401.7900
2197 CA LEU 143 0.0157 28.8005 89.7800
2216 CA ILE 144 0.0115 -40.5535 72.2600
2235 CA GLU 145 0.0167 46.4447 99.1700
2250 CA GLY 146 0.0173 55.8526 97.5600
2257 CA LYS 147 0.0205 109.4955 317.3000
2279 CA ALA 148 0.0151 19.6117 97.1400
2288 CA PRO 149 0.0165 43.2683 84.0500
2303 CA ILE 150 0.0151 20.0690 76.9900
2322 CA ILE 151 0.0173 55.9874 85.7800
2341 CA SER 152 0.0177 62.4107 83.8900
2352 CA GLY 153 0.0199 99.2673 89.8300
2359 CA VAL 154 0.0162 37.1048 111.1200
2375 CA THR 155 0.0132 -12.4398 116.3400
2389 CA LYS 156 0.0134 -9.4445 122.8400
2411 CA ALA 157 0.0151 19.4183 116.2700
2421 CA ILE 158 0.0147 12.1022 137.2900
2440 CA SER 159 0.0262 205.2812 161.2500
2451 CA SER 160 0.0244 175.4813 173.0000
2461 CA PRO 161 0.0222 137.5078 155.0600
2476 CA THR 162 0.0360 368.6239 231.5900
2490 CA VAL 163 0.0363 373.8974 177.3100
2506 CA SER 164 0.0508 616.6512 163.4900
2517 CA ARG 165 0.0550 686.7906 225.2200
2541 CA LEU 166 0.0785 1080.3113 329.4900
2560 CA THR 167 0.0987 1418.1652 719.1700
2574 CA ASP 168 0.1004 1446.9193 654.7300
2586 CA THR 169 0.0983 1411.5815 787.9200
2600 CA THR 170 0.1013 1461.6241 852.4900
2614 CA LYS 171 0.0692 924.8853 762.9200
2636 CA PHE 172 0.0537 665.8432 334.1300
2656 CA THR 173 0.0630 820.6438 422.0200
2670 CA GLY 174 0.0552 689.4127 247.1300
2677 CA SER 175 0.0369 384.4839 168.2300
2688 CA HIS 176 0.0211 120.0795 212.5800
2705 CA LYS 177 0.0232 155.3933 156.2700
2727 CA GLU 178 0.0238 164.8064 152.2400
2742 CA ARG 179 0.0141 1.7438 136.5700
2766 CA PHE 180 0.0105 -57.1290 141.9300
2786 CA ASP 181 0.0163 39.9265 102.8000
2797 CA PRO 182 0.0204 108.6864 111.6300
2812 CA SER 183 0.0249 183.6826 117.9300
2823 CA GLY 184 0.0163 38.7579 113.8300
2830 CA LYS 185 0.0123 -27.7280 123.3200
2852 CA GLY 186 0.0099 -68.0096 100.0000
2859 CA LYS 187 0.0114 -42.3644 141.3500
2881 CA GLY 188 0.0131 -14.3326 113.6100
2888 CA LYS 189 0.0197 96.4037 275.2500
2910 CA ALA 190 0.0130 -15.0572 257.7400
2920 CA GLY 191 0.0183 72.2420 177.3300
2927 CA ARG 192 0.0162 37.3499 526.9500
2951 CA VAL 193 0.0222 137.8505 481.0700
2967 CA ASP 194 0.0165 42.6883 268.7600
2979 CA LEU 195 0.0110 -49.2362 282.8100
2998 CA VAL 196 0.0142 4.2918 388.8800
3014 CA ASP 197 0.0203 106.1923 313.9700
3026 CA GLU 198 0.0328 315.0398 444.3800
3041 CA SER 199 0.0393 424.3245 279.9400
3052 CA GLY 200 0.0325 310.6594 353.9400
3059 CA TYR 201 0.0305 277.6862 473.6000
3080 CA VAL 202 0.0227 147.1067 579.4900
3096 CA SER 203 0.0215 126.9144 434.5000
3107 CA GLY 204 0.0307 279.9509 320.1200
3114 CA TYR 205 0.0500 603.4362 721.7300
3135 CA LYS 206 0.0560 703.5041 1122.8000
3157 CA HIS 207 0.0658 867.6458 1239.0000
3174 CA ALA 208 0.0829 1153.4381 1467.2000
3184 CA GLY 209 0.0688 917.4943 1572.5000
3191 CA THR 210 0.0600 770.0080 2288.2000
3205 CA TYR 211 0.0677 899.7654 2318.6000
3226 CA ASP 212 0.0634 827.2195 1002.3000
3238 CA GLN 213 0.0554 692.8738 802.1600
3255 CA LYS 214 0.0608 784.0214 900.4300
3277 CA VAL 215 0.0552 690.4356 1125.1000
3293 CA GLN 216 0.0461 537.2540 1723.0000
3310 CA GLY 217 0.0426 479.7625 2710.2000
3317 CA GLY 218 0.0459 535.2639 3490.4000
3324 CA LYS 219 0.0566 713.9451 4545.5000

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.