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

* HYDROLASE (SULFHYDRYL PROTEINASE) 31-MAR-86 9PAP *

B-factor analysis for ID 240110224427553701

Overall B-factor prediction

Correlation= 0.570 for 211 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 ILE 1 0.0603 31.8736 18.6300
10 CA PRO 2 0.0589 31.1706 20.3600
17 CA GLU 3 0.0477 25.7371 19.6700
26 CA TYR 4 0.0303 17.2996 14.4500
38 CA VAL 5 0.0128 8.8153 12.0500
45 CA ASP 6 0.0126 8.6974 6.6500
53 CA TRP 7 0.0093 7.1139 9.6000
67 CA ARG 8 0.0137 9.2502 11.6800
78 CA GLN 9 0.0394 21.7067 17.2200
87 CA LYS 10 0.0351 19.6161 8.6400
96 CA GLY 11 0.0240 14.2546 7.3500
100 CA ALA 12 0.0121 8.4578 5.1900
105 CA VAL 13 0.0100 7.4545 9.3100
112 CA THR 14 0.0115 8.1900 2.6600
119 CA PRO 15 0.0273 15.8328 7.6000
126 CA VAL 16 0.0151 9.9322 15.9000
133 CA LYS 17 0.0122 8.5208 5.8200
142 CA ASN 18 0.0145 9.6495 10.2700
150 CA GLN 19 0.0157 10.2125 6.6400
159 CA GLY 20 0.0263 15.3597 11.2600
163 CA SER 21 0.0815 42.1467 29.1600
169 CA CYS 22 0.0306 17.4615 4.5200
175 CA GLY 23 0.0225 13.5098 13.1100
179 CA SER 24 0.0121 8.4600 7.8000
185 CA TRP 26 0.0094 7.1431 1.7600
199 CA ALA 27 0.0066 5.8001 8.0500
204 CA PHE 28 0.0054 5.2101 3.5700
215 CA SER 29 0.0058 5.4367 6.3300
221 CA ALA 30 0.0055 5.2619 8.8500
226 CA VAL 31 0.0047 4.8816 11.3500
233 CA VAL 32 0.0049 4.9687 5.9300
240 CA THR 33 0.0050 5.0408 6.2700
247 CA ILE 34 0.0059 5.4562 5.0400
255 CA GLU 35 0.0060 5.5063 7.7600
264 CA GLY 36 0.0076 6.3132 2.2400
268 CA ILE 37 0.0082 6.5883 8.1100
276 CA ILE 38 0.0118 8.3160 15.7100
284 CA LYS 39 0.0135 9.1405 4.2600
293 CA ILE 40 0.0175 11.0938 5.9800
301 CA ARG 41 0.0229 13.7135 10.0400
312 CA THR 42 0.0521 27.8814 9.8100
319 CA GLY 43 0.0522 27.9173 10.4600
323 CA ASN 44 0.0308 17.5525 8.7200
331 CA LEU 45 0.0173 10.9919 12.5400
339 CA ASN 46 0.0130 8.9079 5.1200
347 CA GLN 47 0.0104 7.6306 5.9600
356 CA TYR 48 0.0062 5.5899 9.6500
368 CA SER 49 0.0059 5.4782 5.9000
374 CA GLU 50 0.0057 5.3552 13.4300
383 CA GLN 51 0.0060 5.5374 9.6600
392 CA GLU 52 0.0053 5.1584 12.4200
401 CA LEU 53 0.0051 5.0917 8.3000
409 CA LEU 54 0.0081 6.5575 20.1000
417 CA ASP 55 0.0094 7.1746 13.8700
425 CA CYS 56 0.0094 7.1871 13.7900
431 CA ASP 57 0.0092 7.0460 18.7300
439 CA ARG 58 0.0189 11.7543 34.1800
450 CA ARG 59 0.0202 12.3892 21.6800
461 CA SER 60 0.0179 11.2703 14.9700
467 CA TYR 61 0.0244 14.4668 18.5600
479 CA GLY 62 0.0173 10.9756 20.7400
483 CA CYS 63 0.0221 13.3164 6.7800
489 CA ASN 64 0.0552 29.3813 13.2400
497 CA GLY 65 0.0358 19.9604 14.9500
501 CA GLY 66 0.0179 11.2678 5.8500
505 CA TYR 67 0.0171 10.8888 8.1300
517 CA PRO 68 0.0090 6.9596 9.0900
524 CA TRP 69 0.0113 8.1050 8.8700
538 CA SER 70 0.0119 8.3982 4.0500
544 CA ALA 71 0.0082 6.5830 9.6100
549 CA LEU 72 0.0081 6.5385 7.6900
557 CA GLN 73 0.0112 8.0200 11.6900
566 CA LEU 74 0.0108 7.8251 12.7800
574 CA VAL 75 0.0092 7.0548 6.6700
581 CA ALA 76 0.0175 11.1107 8.5100
586 CA GLN 77 0.0225 13.4999 13.8100
595 CA TYR 78 0.0218 13.2052 6.7900
607 CA GLY 79 0.0149 9.8480 9.7700
611 CA ILE 80 0.0083 6.6248 17.6600
619 CA HIS 81 0.0087 6.8343 7.7600
629 CA TYR 82 0.0100 7.4422 9.5900
641 CA ARG 83 0.0086 6.7868 8.2100
652 CA ASN 84 0.0324 18.3451 17.0900
660 CA THR 85 0.0231 13.8189 9.1600
667 CA TYR 86 0.0107 7.8106 8.2700
679 CA PRO 87 0.0146 9.6815 11.9700
686 CA TYR 88 0.0135 9.1765 11.7900
698 CA GLU 89 0.0166 10.6410 14.1600
707 CA GLY 90 0.0230 13.7471 14.7900
711 CA VAL 91 0.0252 14.8573 11.5300
718 CA GLN 92 0.0201 12.3382 11.2000
727 CA ARG 93 0.0219 13.2219 22.8900
738 CA TYR 94 0.0309 17.6135 24.0200
750 CA CYS 95 0.0193 11.9597 12.6000
756 CA ARG 96 0.0168 10.7695 17.4100
767 CA SER 97 0.0165 10.6018 10.2100
773 CA ARG 98 0.0483 26.0376 25.9500
784 CA GLU 99 0.0550 29.3075 23.7400
793 CA LYS 100 0.0306 17.4657 25.2800
802 CA GLY 101 0.0480 25.8996 14.8700
806 CA PRO 102 0.0494 26.5554 57.2600
813 CA TYR 103 0.0216 13.0990 19.5600
825 CA ALA 104 0.0153 10.0112 8.3800
830 CA ALA 105 0.0144 9.6112 14.5700
835 CA LYS 106 0.0169 10.7981 13.0400
844 CA THR 107 0.0143 9.5357 8.2600
851 CA ASP 108 0.0258 15.1365 11.1300
859 CA GLY 109 0.0225 13.5176 14.2600
863 CA VAL 110 0.0135 9.1334 9.7700
870 CA ARG 111 0.0191 11.8520 10.5200
881 CA GLN 112 0.0183 11.4705 18.6800
890 CA VAL 113 0.0142 9.5180 15.5500
897 CA GLN 114 0.0316 17.9497 17.9400
906 CA PRO 115 0.0194 12.0307 15.0900
913 CA TYR 116 0.0186 11.6179 19.0600
925 CA ASN 117 0.0203 12.4786 12.4500
933 CA GLN 118 0.0138 9.2993 12.5400
942 CA GLY 119 0.0175 11.0841 8.7800
946 CA ALA 120 0.0174 11.0500 8.3200
951 CA LEU 121 0.0104 7.6591 10.3900
959 CA LEU 122 0.0115 8.1999 15.4700
967 CA TYR 123 0.0193 11.9681 10.4700
979 CA SER 124 0.0094 7.1432 5.9100
985 CA ILE 125 0.0073 6.1264 2.0500
993 CA ALA 126 0.0125 8.6850 11.0500
998 CA ASN 127 0.0170 10.8459 10.6500
1006 CA GLN 128 0.0068 5.8864 5.0300
1015 CA PRO 129 0.0063 5.6571 11.4200
1022 CA VAL 130 0.0052 5.1131 8.1600
1029 CA SER 131 0.0052 5.1054 3.6400
1035 CA VAL 132 0.0071 6.0535 9.5000
1042 CA VAL 133 0.0083 6.6273 11.4700
1049 CA LEU 134 0.0103 7.5840 5.5200
1057 CA GLN 135 0.0140 9.3985 5.2800
1066 CA ALA 136 0.0164 10.5581 9.7100
1071 CA ALA 137 0.0369 20.4917 28.0700
1076 CA GLY 138 0.0435 23.7044 7.5900
1080 CA LYS 139 0.0532 28.4222 17.4500
1086 CA ASP 140 0.0284 16.4006 10.5700
1094 CA PHE 141 0.0143 9.5376 6.3300
1105 CA GLN 142 0.0231 13.8090 17.5800
1114 CA LEU 143 0.0368 20.4641 12.3200
1122 CA TYR 144 0.0204 12.4865 15.2100
1134 CA ARG 145 0.0304 17.3601 15.7600
1145 CA GLY 146 0.0241 14.3074 9.1800
1149 CA GLY 147 0.0316 17.9510 18.8600
1153 CA ILE 148 0.0143 9.5388 12.0500
1161 CA PHE 149 0.0117 8.2703 17.9000
1172 CA VAL 150 0.0267 15.5507 13.6500
1179 CA GLY 151 0.0310 17.6433 7.0300
1183 CA PRO 152 0.0423 23.1370 8.1700
1190 CA CYS 153 0.0260 15.2091 15.5400
1196 CA GLY 154 0.0326 18.4171 15.8800
1200 CA ASN 155 0.0245 14.5057 25.0400
1208 CA LYS 156 0.0394 21.7090 13.8200
1217 CA VAL 157 0.0223 13.4424 9.3300
1224 CA ASP 158 0.0259 15.1516 12.3200
1232 CA HIS 159 0.0159 10.3429 3.5700
1242 CA ALA 160 0.0067 5.8489 7.6300
1247 CA VAL 161 0.0061 5.5470 7.4800
1254 CA ALA 162 0.0050 5.0527 4.6000
1259 CA ALA 163 0.0046 4.8258 1.0000
1264 CA VAL 164 0.0058 5.4215 6.4500
1271 CA GLY 165 0.0063 5.6411 6.6100
1275 CA TYR 166 0.0102 7.5424 5.0200
1287 CA GLY 167 0.0130 8.9174 15.3400
1291 CA PRO 168 0.0298 17.0770 20.9700
1298 CA ASN 169 0.0194 12.0166 9.4300
1306 CA TYR 170 0.0086 6.7533 10.7500
1318 CA ILE 171 0.0066 5.8249 9.3300
1326 CA LEU 172 0.0052 5.1201 4.6600
1334 CA ILE 173 0.0052 5.1073 11.1200
1342 CA LYS 174 0.0067 5.8777 2.8000
1351 CA ASN 175 0.0066 5.7848 8.5600
1359 CA SER 176 0.0108 7.8391 5.1700
1365 CA TRP 177 0.0109 7.9083 4.6200
1379 CA GLY 178 0.0219 13.2428 9.6000
1383 CA THR 179 0.0279 16.1310 7.6000
1390 CA GLY 180 0.0287 16.5083 8.8600
1394 CA TRP 181 0.0160 10.3669 11.7000
1408 CA GLY 182 0.0144 9.5936 10.9200
1412 CA GLU 183 0.0157 10.2183 6.8800
1421 CA ASN 184 0.0320 18.1189 10.5800
1429 CA GLY 185 0.0118 8.3105 5.4800
1433 CA TYR 186 0.0070 6.0090 6.4000
1445 CA ILE 187 0.0068 5.8929 6.5200
1453 CA ARG 188 0.0083 6.6196 8.4500
1464 CA ILE 189 0.0072 6.0960 7.3700
1472 CA LYS 190 0.0133 9.0342 7.1600
1481 CA ARG 191 0.0126 8.7417 8.1300
1492 CA GLY 192 0.0403 22.1422 14.5400
1496 CA THR 193 0.0561 29.8333 35.1200
1503 CA GLY 194 0.0740 38.5282 29.7700
1507 CA ASN 195 0.0420 22.9867 34.7600
1515 CA SER 196 0.0298 17.0602 28.1600
1521 CA TYR 197 0.0186 11.6380 12.5000
1533 CA GLY 198 0.0124 8.6063 8.5800
1537 CA VAL 199 0.0113 8.0987 14.5600
1544 CA CYS 200 0.0115 8.1727 21.2700
1550 CA GLY 201 0.0118 8.3256 10.6100
1554 CA LEU 202 0.0080 6.4662 11.5300
1562 CA TYR 203 0.0090 6.9927 3.8100
1574 CA THR 204 0.0120 8.4152 12.8600
1581 CA SER 205 0.0122 8.5145 9.3500
1587 CA SER 206 0.0085 6.7058 6.1100
1593 CA PHE 207 0.0083 6.6244 12.6900
1604 CA TYR 208 0.0083 6.6429 13.3000
1616 CA PRO 209 0.0082 6.5682 12.3600
1623 CA VAL 210 0.0181 11.4037 9.9700
1630 CA LYS 211 0.0174 11.0529 11.7300
1639 CA ASN 212 0.0803 41.5883 22.3400

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.