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

* VIRAL PROTEIN,HYDROLASE 23-DEC-09 3L6P *

B-factor analysis for ID 2402291203161102732

Overall B-factor prediction

Correlation= 0.489 for 199 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 HIS 3 0.6599 53.4513 59.9800
12 CA MET 4 0.2362 45.0009 20.0000
17 CA ALA 5 0.0913 42.1123 20.0000
22 CA ASP 6 0.0792 41.8720 47.5500
30 CA LEU 7 0.0398 41.0847 39.4400
38 CA SER 8 0.0373 41.0365 37.9800
44 CA LEU 9 0.0264 40.8186 40.4900
52 CA GLU 10 0.0332 40.9530 44.9800
61 CA LYS 11 0.0340 40.9696 20.0000
70 CA ALA 12 0.0364 41.0178 20.0000
75 CA ALA 13 0.0430 41.1492 20.0000
80 CA GLU 14 0.0520 41.3294 20.0000
89 CA VAL 15 0.0460 41.2086 47.6200
96 CA SER 16 0.0685 41.6582 52.0400
102 CA TRP 17 0.0764 41.8153 54.9400
116 CA GLU 18 0.0999 42.2847 59.9100
125 CA GLU 19 0.1463 43.2084 63.2400
130 CA GLU 20 0.1916 44.1132 65.2600
135 CA ALA 21 0.0985 42.2563 62.5100
140 CA GLU 22 0.0978 42.2429 59.0400
149 CA HIS 23 0.0883 42.0530 53.4300
159 CA SER 24 0.0795 41.8774 55.8400
165 CA GLY 25 0.0908 42.1017 58.1900
169 CA ALA 26 0.2272 44.8232 61.1900
174 CA SER 27 0.1538 43.3577 59.2600
180 CA HIS 28 0.1251 42.7854 53.3000
190 CA ASN 29 0.1294 42.8716 47.9000
198 CA ILE 30 0.2076 44.4306 43.2300
206 CA LEU 31 0.4574 49.4135 43.0900
214 CA VAL 32 0.2476 45.2291 45.3100
221 CA GLU 33 0.5896 52.0477 51.1700
230 CA VAL 34 1.0516 61.2618 57.1500
237 CA GLN 35 1.8404 76.9905 66.9900
246 CA ASP 36 3.5000 110.0831 73.1100
254 CA ASP 37 3.9746 119.5461 75.6200
262 CA GLY 38 3.8258 116.5795 74.2700
266 CA THR 39 2.5331 90.8029 71.9400
273 CA MET 40 1.3679 67.5675 68.2700
281 CA LYS 41 1.1650 63.5224 64.9600
290 CA ILE 42 0.9365 58.9663 61.4900
298 CA LYS 43 1.4981 70.1653 58.5300
302 CA VAL 63 3.1817 103.7366 47.9700
309 CA LEU 64 1.5377 70.9539 46.5200
317 CA TRP 65 0.5278 50.8158 45.9200
331 CA ASP 66 0.3224 46.7202 50.1900
339 CA THR 67 0.0980 42.2468 51.2100
346 CA PRO 68 0.0497 41.2837 50.0600
353 CA SER 69 0.0542 41.3720 49.9600
359 CA PRO 70 0.0438 41.1659 20.0000
366 CA GLY 71 0.0331 40.9525 40.0900
370 CA ILE 72 0.0213 40.7170 38.0300
378 CA TYR 73 0.0181 40.6527 35.3600
390 CA ARG 74 0.0175 40.6401 33.5900
401 CA ILE 75 0.0157 40.6051 32.1500
409 CA LEU 76 0.0301 40.8919 37.0200
417 CA GLN 77 0.0515 41.3195 43.3900
426 CA ARG 78 0.1083 42.4510 53.2700
437 CA GLY 79 0.1997 44.2732 55.0900
441 CA LEU 80 0.6061 52.3778 57.3600
449 CA LEU 81 0.5704 51.6661 53.6700
457 CA GLY 82 0.2407 45.0911 50.7500
461 CA ARG 83 0.0964 42.2142 47.3000
472 CA SER 84 0.0698 41.6839 40.1200
478 CA GLN 85 0.0262 40.8137 33.6800
487 CA VAL 86 0.0210 40.7105 29.3200
494 CA GLY 87 0.0108 40.5067 29.1100
498 CA VAL 88 0.0081 40.4525 28.9400
505 CA GLY 89 0.0080 40.4507 31.8900
509 CA VAL 90 0.0143 40.5779 33.7600
516 CA PHE 91 0.0223 40.7364 37.0600
527 CA GLN 92 0.0328 40.9464 40.2800
536 CA GLU 93 0.0513 41.3148 41.2300
545 CA GLY 94 0.0394 41.0777 37.4700
549 CA VAL 95 0.0254 40.7977 35.9700
556 CA PHE 96 0.0147 40.5854 33.3600
567 CA HIS 97 0.0104 40.4996 31.5600
577 CA THR 98 0.0069 40.4289 30.6800
584 CA MET 99 0.0088 40.4670 29.1500
585 CA MET 99 0.0088 40.4671 29.9800
597 CA TRP 100 0.0187 40.6651 27.7700
611 CA HIS 101 0.0238 40.7665 30.5500
621 CA VAL 102 0.0155 40.6017 32.7200
628 CA THR 103 0.0237 40.7635 32.9800
635 CA ARG 104 0.0391 41.0723 32.6200
636 CA ARG 104 0.0393 41.0749 32.4800
654 CA GLY 105 0.0363 41.0166 35.9800
658 CA ALA 106 0.0429 41.1477 39.4600
663 CA VAL 107 0.0463 41.2147 42.9500
670 CA LEU 108 0.0331 40.9526 41.8300
678 CA MET 109 0.0505 41.2981 46.4200
686 CA TYR 110 0.0491 41.2701 49.4300
698 CA GLN 111 0.1075 42.4359 53.0700
707 CA GLY 112 0.1504 43.2917 54.0000
711 CA LYS 113 0.0989 42.2649 53.4300
720 CA ARG 114 0.0734 41.7563 52.0600
731 CA LEU 115 0.0418 41.1252 48.4500
739 CA GLU 116 0.0497 41.2827 42.8300
748 CA PRO 117 0.0335 40.9596 36.9100
755 CA SER 118 0.0381 41.0515 37.8800
761 CA TRP 119 0.0336 40.9612 34.7000
775 CA ALA 120 0.0326 40.9412 35.1800
780 CA SER 121 0.0410 41.1093 33.8800
786 CA VAL 122 0.0548 41.3839 37.6300
793 CA LYS 123 0.1025 42.3357 36.8900
798 CA LYS 124 0.0394 41.0778 27.9600
807 CA ASP 125 0.0249 40.7888 24.9300
815 CA LEU 126 0.0159 40.6095 25.0000
823 CA ILE 127 0.0154 40.5991 27.5500
831 CA SER 128 0.0167 40.6253 32.6000
837 CA TYR 129 0.0221 40.7318 35.3700
849 CA GLY 130 0.0342 40.9735 39.7300
853 CA GLY 131 0.0373 41.0348 40.8900
857 CA GLY 132 0.0358 41.0061 40.0900
861 CA TRP 133 0.0275 40.8401 39.5700
875 CA ARG 134 0.0362 41.0134 41.5500
876 CA ARG 134 0.0362 41.0136 41.7300
894 CA PHE 135 0.0367 41.0227 43.6500
905 CA GLN 136 0.0601 41.4907 50.0600
914 CA GLY 137 0.0595 41.4787 47.4800
918 CA SER 138 0.0803 41.8921 46.9900
924 CA TRP 139 0.0703 41.6937 47.4500
938 CA ASN 140 0.1097 42.4787 52.2200
946 CA ALA 141 0.1104 42.4942 53.1000
951 CA GLY 142 0.1128 42.5409 52.0200
955 CA GLU 143 0.0981 42.2475 48.7800
964 CA GLU 144 0.0776 41.8391 43.8900
973 CA VAL 145 0.0587 41.4615 41.7500
980 CA GLN 146 0.0498 41.2845 41.1500
989 CA VAL 147 0.0330 40.9507 37.1800
996 CA ILE 148 0.0315 40.9194 35.8100
1004 CA ALA 149 0.0254 40.7976 35.3700
1009 CA VAL 150 0.0222 40.7342 36.6900
1016 CA GLU 151 0.0270 40.8309 37.7800
1025 CA PRO 152 0.0353 40.9952 41.3100
1032 CA GLY 153 0.0946 42.1779 48.5100
1036 CA LYS 154 0.0674 41.6361 50.3000
1045 CA ASN 155 0.0797 41.8819 48.8300
1053 CA PRO 156 0.0427 41.1431 47.8900
1060 CA LYS 157 0.0504 41.2968 46.0500
1069 CA ASN 158 0.0540 41.3692 43.0200
1077 CA VAL 159 0.0527 41.3420 40.8400
1084 CA GLN 160 0.0648 41.5840 39.7300
1093 CA THR 161 0.0615 41.5176 38.6700
1100 CA ALA 162 0.0735 41.7571 44.7900
1105 CA PRO 163 0.0641 41.5698 47.8000
1112 CA GLY 164 0.0867 42.0200 55.0800
1116 CA THR 165 0.1066 42.4182 62.7100
1123 CA PHE 166 0.1453 43.1901 66.0400
1134 CA LYS 167 0.3920 48.1085 64.0400
1138 CA THR 168 0.6763 53.7782 55.3100
1144 CA GLY 171 1.0292 60.8148 77.4100
1148 CA GLU 172 0.2694 45.6637 74.6400
1153 CA VAL 173 0.1086 42.4567 68.1700
1160 CA GLY 174 0.0634 41.5565 60.2400
1164 CA ALA 175 0.0518 41.3246 54.9500
1169 CA ILE 176 0.0432 41.1532 50.7300
1177 CA ALA 177 0.0533 41.3541 50.6400
1182 CA LEU 178 0.0415 41.1186 48.9700
1190 CA ASP 179 0.0526 41.3404 51.3200
1198 CA PHE 180 0.0330 40.9496 44.1900
1209 CA LYS 181 0.0461 41.2110 41.0400
1218 CA PRO 182 0.0755 41.7978 37.2700
1225 CA GLY 183 0.0191 40.6725 30.7300
1229 CA THR 184 0.0137 40.5659 30.6800
1236 CA SER 185 0.0098 40.4870 32.9900
1242 CA GLY 186 0.0073 40.4366 31.0500
1246 CA SER 187 0.0125 40.5415 30.3500
1252 CA PRO 188 0.0194 40.6786 33.4300
1259 CA ILE 189 0.0300 40.8904 38.2500
1267 CA VAL 190 0.0460 41.2099 40.6300
1274 CA ASN 191 0.0671 41.6289 44.1400
1282 CA ARG 192 0.0971 42.2276 52.4000
1293 CA GLU 193 0.1106 42.4973 55.2900
1302 CA GLY 194 0.0751 41.7902 51.6400
1306 CA LYS 195 0.0660 41.6087 46.5900
1315 CA ILE 196 0.0392 41.0736 39.5000
1323 CA VAL 197 0.0413 41.1152 37.7700
1330 CA GLY 198 0.0258 40.8070 38.0600
1334 CA LEU 199 0.0152 40.5943 34.1100
1342 CA TYR 200 0.0160 40.6110 36.1800
1354 CA GLY 201 0.0159 40.6094 45.9000
1358 CA ASN 202 0.0304 40.8988 53.8600
1366 CA GLY 203 0.0735 41.7569 57.1600
1370 CA VAL 204 0.1518 43.3195 55.5900
1377 CA VAL 205 0.2554 45.3842 49.5400
1383 CA THR 210 0.2935 46.1441 62.0200
1390 CA TYR 211 0.1094 42.4730 57.9800
1395 CA VAL 212 0.0587 41.4628 50.5000
1402 CA SER 213 0.0340 40.9705 45.5100
1408 CA ALA 214 0.0347 40.9835 42.5000
1413 CA ILE 215 0.0307 40.9031 42.0700
1421 CA ALA 216 0.0237 40.7648 38.3800
1426 CA GLN 217 0.0300 40.8895 37.9000
1435 CA ALA 218 0.0379 41.0483 39.1400
1440 CA LYS 219 0.0672 41.6326 47.4300
1449 CA ALA 220 0.0561 41.4108 48.8900
1454 CA SER 221 0.0714 41.7163 55.5600
1460 CA GLN 222 0.3500 47.2705 58.4600
1469 CA GLU 223 1.9433 79.0414 51.7900

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.