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

* SUGAR BINDING PROTEIN 10-JUL-21 7RDP *

B-factor analysis for ID 2403301821521607471

Overall B-factor prediction

Correlation= 0.818 for 146 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 GLY 112 0.6781 103.7831 84.6600
6 CA PRO 113 0.0764 22.8838 59.4700
13 CA LEU 114 0.0335 17.1165 28.2700
21 CA ILE 115 0.0599 20.6738 27.2500
29 CA VAL 116 0.0259 16.0984 23.2200
36 CA PRO 117 0.0357 17.4187 19.5200
43 CA TYR 118 0.0214 15.4985 18.0500
55 CA ASN 119 0.0237 15.8037 20.4900
63 CA LEU 120 0.0156 14.7141 16.8500
71 CA PRO 121 0.0231 15.7239 16.1800
78 CA LEU 122 0.0150 14.6294 12.3800
86 CA PRO 123 0.0452 18.6893 12.6900
93 CA GLY 124 0.0820 23.6447 11.1700
97 CA GLY 125 0.0175 14.9692 12.6800
101 CA VAL 126 0.0133 14.3988 14.4200
108 CA VAL 127 0.0222 15.6045 16.9700
115 CA PRO 128 0.0194 15.2239 16.5100
122 CA ARG 129 0.0277 16.3336 18.6800
133 CA MET 130 0.0130 14.3612 16.4400
141 CA LEU 131 0.0143 14.5369 14.4000
149 CA ILE 132 0.0092 13.8492 14.1400
157 CA THR 133 0.0141 14.5070 13.7700
164 CA ILE 134 0.0100 13.9541 15.7100
172 CA LEU 135 0.0136 14.4372 15.4500
180 CA GLY 136 0.0179 15.0196 14.1300
184 CA THR 137 0.0171 14.9118 13.6500
191 CA VAL 138 0.0132 14.3872 13.5400
198 CA LYS 139 0.0216 15.5234 20.1700
207 CA PRO 140 0.0522 19.6349 25.5200
214 CA ASN 141 0.0777 23.0563 30.2000
222 CA ALA 142 0.0190 15.1698 18.7900
227 CA ASN 143 0.0206 15.3858 18.1300
228 CA ASN 143 0.0207 15.4010 18.0800
240 CA ARG 144 0.0124 14.2867 17.6300
251 CA ILE 145 0.0078 13.6642 14.6600
259 CA ALA 146 0.0099 13.9457 12.7900
264 CA LEU 147 0.0066 13.5059 13.0600
272 CA ASP 148 0.0080 13.6962 12.0700
280 CA PHE 149 0.0060 13.4181 11.6800
291 CA GLN 150 0.0102 13.9857 12.9900
300 CA ARG 151 0.0145 14.5648 11.0200
311 CA GLY 152 0.0273 16.2865 11.8900
315 CA ASN 153 0.0680 21.7601 11.8400
323 CA ASP 154 0.0186 15.1103 10.9100
331 CA VAL 155 0.0097 13.9189 12.3700
338 CA ALA 156 0.0061 13.4345 10.2000
343 CA PHE 157 0.0054 13.3357 10.2600
354 CA HIS 158 0.0076 13.6338 10.0900
364 CA PHE 159 0.0062 13.4534 11.2400
375 CA ASN 160 0.0085 13.7575 12.5300
383 CA PRO 161 0.0075 13.6237 13.6200
390 CA ARG 162 0.0102 13.9866 15.1100
401 CA PHE 163 0.0115 14.1670 15.8900
412 CA ASN 164 0.0337 17.1518 19.9100
420 CA GLU 165 0.0354 17.3801 20.0300
430 CA ASN 166 0.0970 25.6612 23.5900
431 CA ASN 166 0.0967 25.6162 18.2500
445 CA ASN 167 0.0911 24.8618 19.0100
453 CA ARG 168 0.0597 20.6449 20.8100
464 CA ARG 169 0.0158 14.7347 19.3600
475 CA VAL 170 0.0114 14.1541 16.2400
482 CA ILE 171 0.0090 13.8238 14.9300
490 CA VAL 172 0.0104 14.0124 14.1800
497 CA CYS 173 0.0084 13.7475 13.1500
503 CA ASN 174 0.0095 13.8930 11.7300
511 CA THR 175 0.0100 13.9618 11.3100
518 CA LYS 176 0.0189 15.1573 14.3000
527 CA LEU 177 0.0302 16.6739 15.6000
535 CA ASP 178 0.0791 23.2515 18.5600
543 CA ASN 179 0.0665 21.5555 21.4000
551 CA ASN 180 0.0660 21.4853 21.5400
559 CA TRP 181 0.0322 16.9397 18.0300
573 CA GLY 182 0.0325 16.9837 16.2700
577 CA ARG 183 0.0546 19.9534 21.9900
588 CA GLU 184 0.0210 15.4443 17.4300
597 CA GLU 185 0.0163 14.8012 16.5000
606 CA ARG 186 0.0232 15.7287 20.1300
617 CA GLN 187 0.0196 15.2554 24.6700
626 CA SER 188 0.0394 17.9074 21.6700
632 CA VAL 189 0.0345 17.2517 17.9200
639 CA PHE 190 0.0154 14.6850 15.2400
650 CA PRO 191 0.0171 14.9183 16.4700
657 CA PHE 192 0.0108 14.0610 15.5300
668 CA GLU 193 0.0200 15.3094 17.0000
669 CA GLU 193 0.0200 15.3060 15.2000
683 CA SER 194 0.0226 15.6521 18.1900
689 CA GLY 195 0.0316 16.8633 14.1100
693 CA LYS 196 0.0272 16.2676 12.3200
702 CA PRO 197 0.0272 16.2674 13.3200
709 CA PHE 198 0.0142 14.5224 12.0200
720 CA LYS 199 0.0153 14.6670 12.3200
729 CA ILE 200 0.0087 13.7912 12.2600
737 CA GLN 201 0.0113 14.1331 13.6100
746 CA VAL 202 0.0075 13.6233 10.9300
753 CA LEU 203 0.0110 14.0908 12.3600
761 CA VAL 204 0.0096 13.9116 12.6100
768 CA GLU 205 0.0158 14.7371 15.9600
777 CA PRO 206 0.0387 17.8136 14.5100
784 CA ASP 207 0.0276 16.3268 13.6700
792 CA HIS 208 0.0120 14.2347 14.0600
802 CA PHE 209 0.0075 13.6189 12.8900
813 CA LYS 210 0.0100 13.9582 14.3600
822 CA VAL 211 0.0091 13.8453 11.5200
829 CA ALA 212 0.0138 14.4678 11.1300
834 CA VAL 213 0.0125 14.2934 11.5000
841 CA ASN 214 0.0221 15.5903 14.4200
849 CA ASP 215 0.0593 20.5874 17.8000
857 CA ALA 216 0.0662 21.5213 16.8500
862 CA HIS 217 0.0344 17.2460 15.1600
872 CA LEU 218 0.0162 14.7875 13.3000
880 CA LEU 219 0.0131 14.3734 12.4200
888 CA GLN 220 0.0140 14.5017 14.3700
897 CA TYR 221 0.0102 13.9873 11.6700
909 CA ASN 222 0.0157 14.7282 12.1300
910 CA ASN 222 0.0156 14.7156 12.5300
922 CA HIS 223 0.0133 14.4060 11.6200
932 CA ARG 224 0.0140 14.4956 12.5900
943 CA VAL 225 0.0126 14.3128 13.2300
950 CA LYS 226 0.0316 16.8576 14.4100
959 CA LYS 227 0.0322 16.9451 14.2800
968 CA LEU 228 0.0153 14.6688 15.3100
976 CA ASN 229 0.0265 16.1841 14.6700
984 CA GLU 230 0.0213 15.4733 12.4700
993 CA ILE 231 0.0104 14.0117 11.4600
1002 CA SER 232 0.0148 14.6099 13.3400
1003 CA SER 232 0.0149 14.6152 12.4200
1013 CA LYS 233 0.0122 14.2495 16.2000
1022 CA LEU 234 0.0098 13.9327 13.2400
1030 CA GLY 235 0.0145 14.5695 13.8200
1034 CA ILE 236 0.0121 14.2364 15.7000
1042 CA SER 237 0.0185 15.0958 14.9900
1048 CA GLY 238 0.0204 15.3638 16.5600
1052 CA ASP 239 0.0169 14.8809 16.3700
1060 CA ILE 240 0.0135 14.4271 17.4300
1068 CA ASP 241 0.0230 15.7020 20.4000
1076 CA LEU 242 0.0155 14.6933 17.7300
1084 CA THR 243 0.0246 15.9267 17.4000
1091 CA SER 244 0.0256 16.0554 16.7900
1092 CA SER 244 0.0257 16.0665 15.6300
1100 CA ALA 245 0.0171 14.9166 15.9500
1105 CA SER 246 0.0266 16.1923 17.0400
1111 CA TYR 247 0.0200 15.3031 15.3200
1123 CA THR 248 0.0390 17.8549 18.6400
1130 CA MET 249 0.0385 17.7978 21.7500
1131 CA MET 249 0.0383 17.7659 21.2400
1143 CA ILE 250 0.0621 20.9650 25.2100

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.