Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nyb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A NE1 GLU 24.A OE2 no hydrogen 2.906 N/A ILE 6.A N TYR 3.A O no hydrogen 2.826 N/A LEU 7.A N PRO 4.A O no hydrogen 3.037 N/A HIS 9.A N ILE 6.A O no hydrogen 2.755 N/A HIS 11.A NE2 ASP 27.A OD2 no hydrogen 2.896 N/A SER 12.A N ASP 10.A OD1 no hydrogen 3.275 N/A SER 12.A OG ASP 10.A OD1 no hydrogen 2.885 N/A SER 12.A OG ASP 10.A OD2 no hydrogen 3.129 N/A LYS 13.A NZ SER 12.A OG no hydrogen 3.409 N/A GLN 14.A N HIS 11.A O no hydrogen 3.121 N/A ASP 19.A N GLU 16.A O no hydrogen 2.873 N/A TRP 20.A N GLU 16.A O no hydrogen 3.311 N/A LEU 21.A N ILE 17.A O no hydrogen 2.896 N/A THR 22.A OG1 SER 18.A O no hydrogen 2.994 N/A PHE 23.A N ASP 19.A O no hydrogen 2.794 N/A GLU 24.A N TRP 20.A O no hydrogen 2.938 N/A ILE 25.A N LEU 21.A O no hydrogen 2.859 N/A LYS 26.A N THR 22.A O no hydrogen 3.220 N/A LYS 26.A NZ LYS 211.A O no hydrogen 2.641 N/A ASP 27.A N PHE 23.A O no hydrogen 3.030 N/A PHE 28.A N GLU 24.A O no hydrogen 3.001 N/A VAL 29.A N ILE 25.A O no hydrogen 2.974 N/A ALA 30.A N LYS 26.A O no hydrogen 3.084 N/A TYR 31.A N ASP 27.A O no hydrogen 2.829 N/A ILE 32.A N PHE 28.A O no hydrogen 2.821 N/A SER 33.A N ALA 30.A O no hydrogen 3.003 N/A SER 33.A OG VAL 29.A O no hydrogen 2.267 N/A SER 35.A N GLU 38.A OE1 no hydrogen 2.887 N/A SER 35.A OG GLU 38.A OE1 no hydrogen 3.479 N/A ARG 36.A NH1 GLU 40.A OE2 no hydrogen 3.008 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.622 N/A GLU 38.A N SER 35.A OG no hydrogen 3.071 N/A ILE 39.A N SER 35.A O no hydrogen 2.854 N/A GLU 40.A N ARG 36.A O no hydrogen 2.858 N/A ILE 41.A N GLU 37.A O no hydrogen 3.006 N/A ARG 42.A N GLU 38.A O no hydrogen 3.115 N/A ARG 42.A NH2 TYR 73.A OH no hydrogen 3.063 N/A ASN 43.A N ILE 39.A O no hydrogen 2.933 N/A GLN 44.A N GLU 40.A O no hydrogen 3.018 N/A THR 45.A N ILE 41.A O no hydrogen 2.941 N/A THR 45.A OG1 ARG 42.A O no hydrogen 3.297 N/A ILE 46.A N ARG 42.A O no hydrogen 2.993 N/A SER 47.A N ASN 43.A O no hydrogen 2.835 N/A THR 48.A N GLN 44.A O no hydrogen 2.710 N/A THR 48.A OG1 GLN 44.A O no hydrogen 3.098 N/A ILE 49.A N THR 45.A O no hydrogen 2.810 N/A ARG 50.A N ILE 46.A O no hydrogen 2.803 N/A ARG 50.A NE ASP 61.A OD1 no hydrogen 2.993 N/A ARG 50.A NE LEU 62.A O no hydrogen 3.356 N/A ARG 50.A NH2 LEU 62.A O no hydrogen 2.836 N/A GLU 51.A N SER 47.A O no hydrogen 2.798 N/A ALA 52.A N THR 48.A O no hydrogen 3.074 N/A VAL 53.A N ILE 49.A O no hydrogen 3.038 N/A VAL 53.A N ARG 50.A O no hydrogen 2.885 N/A LYS 54.A N ARG 50.A O no hydrogen 2.937 N/A GLN 55.A NE2 ALA 52.A O no hydrogen 3.524 N/A LEU 56.A N VAL 53.A O no hydrogen 2.899 N/A TRP 57.A N VAL 53.A O no hydrogen 2.960 N/A ALA 60.A N TRP 57.A O no hydrogen 2.896 N/A ASP 61.A N THR 84.A OG1 no hydrogen 2.790 N/A LEU 62.A N ASP 61.A OD1 no hydrogen 3.013 N/A HIS 63.A N VAL 82.A O no hydrogen 3.079 N/A PHE 65.A N ASP 80.A O no hydrogen 2.983 N/A TYR 68.A OH SER 77.A O no hydrogen 2.948 N/A SER 69.A N GLY 66.A O no hydrogen 2.912 N/A SER 69.A OG GLY 66.A O no hydrogen 3.038 N/A THR 70.A N GLY 66.A O no hydrogen 3.196 N/A THR 70.A OG1 GLY 66.A O no hydrogen 3.376 N/A THR 70.A OG1 SER 67.A O no hydrogen 3.222 N/A LEU 72.A N SER 67.A O no hydrogen 2.996 N/A SER 77.A N LEU 74.A O no hydrogen 2.880 N/A SER 77.A OG LEU 74.A O no hydrogen 2.637 N/A ILE 79.A N HIS 133.A O no hydrogen 2.965 N/A CYS 81.A N ALA 135.A O no hydrogen 2.842 N/A CYS 81.A SG ILE 79.A O no hydrogen 3.812 N/A VAL 82.A N HIS 63.A O no hydrogen 2.997 N/A VAL 83.A N SER 137.A O no hydrogen 2.874 N/A THR 84.A N ASP 61.A O no hydrogen 3.190 N/A GLU 91.A N GLY 88.A O no hydrogen 3.216 N/A SER 92.A N GLY 89.A O no hydrogen 3.058 N/A SER 92.A OG GLY 89.A O no hydrogen 3.045 N/A ASN 94.A ND2 GLU 91.A OE2 no hydrogen 3.515 N/A ASN 95.A N GLU 91.A O no hydrogen 3.138 N/A ASN 95.A ND2 LEU 87.A O no hydrogen 3.069 N/A LEU 96.A N SER 92.A O no hydrogen 3.042 N/A TYR 97.A N ARG 93.A O no hydrogen 2.873 N/A SER 98.A N ASN 94.A O no hydrogen 3.359 N/A SER 98.A OG ASN 94.A O no hydrogen 3.060 N/A LEU 99.A N ASN 95.A O no hydrogen 2.996 N/A ALA 100.A N LEU 96.A O no hydrogen 2.771 N/A SER 101.A N TYR 97.A O no hydrogen 2.913 N/A HIS 102.A N SER 98.A O no hydrogen 2.997 N/A LEU 103.A N LEU 99.A O no hydrogen 2.757 N/A LYS 104.A N ALA 100.A O no hydrogen 3.056 N/A LYS 104.A NZ THR 110.A O no hydrogen 3.336 N/A LYS 105.A N SER 101.A O no hydrogen 3.237 N/A LYS 106.A N HIS 102.A O no hydrogen 2.920 N/A LYS 106.A NZ GLN 55.A OE1 no hydrogen 3.386 N/A ASN 107.A N LYS 104.A O no hydrogen 3.081 N/A LEU 108.A N LEU 103.A O no hydrogen 2.933 N/A GLU 111.A N THR 110.A OG1 no hydrogen 2.510 N/A GLU 113.A N LYS 124.A O no hydrogen 2.964 N/A VAL 115.A N ILE 122.A O no hydrogen 2.766 N/A LYS 117.A N VAL 120.A O no hydrogen 2.940 N/A ILE 122.A N VAL 115.A O no hydrogen 2.658 N/A ILE 123.A N VAL 136.A O no hydrogen 2.855 N/A LYS 124.A N GLU 113.A O no hydrogen 2.843 N/A PHE 125.A N ILE 134.A O no hydrogen 2.876 N/A GLU 127.A N ILE 132.A O no hydrogen 2.974 N/A HIS 129.A N GLU 127.A OE1 no hydrogen 2.783 N/A SER 130.A N GLU 127.A OE2 no hydrogen 3.025 N/A SER 130.A OG GLU 127.A OE2 no hydrogen 2.863 N/A GLY 131.A N GLU 127.A O no hydrogen 2.615 N/A ILE 132.A N SER 130.A OG no hydrogen 3.273 N/A ILE 134.A N PHE 125.A O no hydrogen 2.909 N/A ALA 135.A N ILE 79.A O no hydrogen 3.155 N/A VAL 136.A N ILE 123.A O no hydrogen 2.794 N/A SER 137.A N CYS 81.A O no hydrogen 2.978 N/A SER 137.A OG GLU 139.A O no hydrogen 2.809 N/A LYS 148.A N ILE 144.A O no hydrogen 3.267 N/A LEU 149.A N GLU 145.A O no hydrogen 3.024 N/A ILE 150.A N ALA 146.A O no hydrogen 3.092 N/A ARG 151.A N ALA 147.A O no hydrogen 3.255 N/A GLU 152.A N LYS 148.A O no hydrogen 3.027 N/A TRP 153.A N LEU 149.A O no hydrogen 2.612 N/A LEU 154.A N ILE 150.A O no hydrogen 2.986 N/A ASP 155.A N ARG 151.A O no hydrogen 3.163 N/A ASP 155.A N GLU 152.A O no hydrogen 2.817 N/A ASP 156.A N GLU 152.A O no hydrogen 3.157 N/A THR 157.A OG1 TRP 153.A O no hydrogen 2.690 N/A THR 157.A OG1 ASP 156.A OD2 no hydrogen 3.207 N/A LEU 160.A N THR 157.A O no hydrogen 3.277 N/A ARG 161.A NE ASP 71.A O no hydrogen 2.779 N/A ARG 161.A NH2 SER 33.A OG no hydrogen 2.972 N/A GLU 162.A N GLU 162.A OE2 no hydrogen 2.570 N/A LEU 163.A N GLY 159.A O no hydrogen 3.073 N/A VAL 164.A N LEU 160.A O no hydrogen 2.971 N/A LEU 165.A N ARG 161.A O no hydrogen 2.905 N/A ILE 166.A N GLU 162.A O no hydrogen 3.161 N/A VAL 167.A N LEU 163.A O no hydrogen 2.915 N/A LYS 168.A N VAL 164.A O no hydrogen 2.705 N/A LYS 168.A NZ LEU 72.A O no hydrogen 3.263 N/A GLN 169.A N LEU 165.A O no hydrogen 2.820 N/A PHE 170.A N ILE 166.A O no hydrogen 2.783 N/A LEU 171.A N VAL 167.A O no hydrogen 2.961 N/A HIS 172.A N LYS 168.A O no hydrogen 2.968 N/A HIS 172.A N GLN 169.A O no hydrogen 3.021 N/A ALA 173.A N GLN 169.A O no hydrogen 3.053 N/A ARG 174.A N PHE 170.A O no hydrogen 3.484 N/A LEU 176.A N LEU 171.A O no hydrogen 2.841 N/A THR 181.A N ASN 178.A O no hydrogen 3.123 N/A THR 181.A OG1 ASN 178.A O no hydrogen 3.341 N/A GLY 182.A N VAL 179.A O no hydrogen 2.772 N/A GLY 183.A N ASN 178.A O no hydrogen 2.654 N/A LEU 184.A N LEU 176.A O no hydrogen 3.084 N/A ILE 189.A N GLY 185.A O no hydrogen 3.216 N/A ILE 190.A N GLY 186.A O no hydrogen 3.078 N/A CYS 191.A N PHE 187.A O no hydrogen 2.809 N/A LEU 192.A N SER 188.A O no hydrogen 3.064 N/A VAL 193.A N ILE 189.A O no hydrogen 3.226 N/A PHE 194.A N ILE 190.A O no hydrogen 2.865 N/A SER 195.A N CYS 191.A O no hydrogen 2.773 N/A PHE 196.A N LEU 192.A O no hydrogen 3.001 N/A LEU 197.A N VAL 193.A O no hydrogen 2.861 N/A HIS 198.A N PHE 194.A O no hydrogen 2.967 N/A MET 199.A N SER 195.A O no hydrogen 3.046 N/A HIS 200.A NE2 GLU 220.A OE1 no hydrogen 2.624 N/A ARG 202.A N HIS 200.A ND1 no hydrogen 3.040 N/A ARG 202.A NH1 GLU 207.A OE2 no hydrogen 3.207 N/A ILE 203.A N HIS 200.A O no hydrogen 2.516 N/A ILE 204.A N HIS 200.A O no hydrogen 2.949 N/A THR 205.A OG1 PRO 201.A O no hydrogen 2.695 N/A ASN 206.A N ILE 203.A O no hydrogen 2.968 N/A GLU 207.A N ARG 202.A O no hydrogen 2.973 N/A ILE 208.A N ARG 202.A O no hydrogen 2.959 N/A ASP 212.A N ASP 209.A O no hydrogen 2.759 N/A ASN 213.A N PRO 210.A O no hydrogen 2.585 N/A ASN 213.A ND2 ASP 209.A O no hydrogen 2.884 N/A GLY 215.A N THR 22.A OG1 no hydrogen 2.770 N/A LEU 217.A N ASN 213.A O no hydrogen 3.184 N/A LEU 218.A N LEU 214.A O no hydrogen 2.951 N/A ILE 219.A N GLY 215.A O no hydrogen 3.240 N/A GLU 220.A N VAL 216.A O no hydrogen 2.718 N/A PHE 221.A N LEU 217.A O no hydrogen 2.694 N/A PHE 222.A N LEU 218.A O no hydrogen 3.219 N/A GLU 223.A N ILE 219.A O no hydrogen 2.956 N/A LEU 224.A N GLU 220.A O no hydrogen 2.861 N/A TYR 225.A N PHE 221.A O no hydrogen 3.120 N/A TYR 225.A OH LEU 192.A O no hydrogen 2.562 N/A LYS 227.A N GLU 223.A O no hydrogen 3.031 N/A ASN 228.A N LEU 224.A O no hydrogen 3.206 N/A PHE 229.A N LEU 224.A O no hydrogen 2.945 N/A TYR 231.A N PHE 229.A O no hydrogen 2.799 N/A TYR 231.A OH TYR 225.A O no hydrogen 2.724 N/A ASP 233.A N GLY 230.A O no hydrogen 3.014 N/A VAL 234.A N GLY 230.A O no hydrogen 2.674 N/A ALA 235.A N PHE 246.A O no hydrogen 2.848 N/A LEU 236.A N ALA 264.A O no hydrogen 2.948 N/A GLY 237.A N VAL 244.A O no hydrogen 3.008 N/A SER 238.A OG GLY 237.A O no hydrogen 3.360 N/A SER 239.A N TYR 242.A O no hydrogen 3.270 N/A VAL 244.A N GLY 237.A O no hydrogen 3.004 N/A PHE 246.A N ALA 235.A O no hydrogen 3.132 N/A LYS 248.A N ASP 233.A O no hydrogen 2.838 N/A LYS 248.A NZ TYR 231.A O no hydrogen 2.728 N/A LYS 248.A NZ ASP 232.A O no hydrogen 3.340 N/A LYS 248.A NZ SER 262.A O no hydrogen 3.374 N/A THR 250.A N PRO 247.A O no hydrogen 3.125 N/A THR 250.A OG1 PRO 247.A O no hydrogen 3.143 N/A TRP 251.A N LYS 248.A O no hydrogen 2.793 N/A SER 252.A OG THR 250.A O no hydrogen 3.429 N/A GLN 255.A N SER 252.A O no hydrogen 3.127 N/A SER 262.A OG ASN 259.A O no hydrogen 3.321 N/A GLN 266.A N LEU 236.A O no hydrogen 2.724 N/A GLN 266.A NE2 GLU 271.A O no hydrogen 3.154 N/A ASP 267.A N ASN 273.A O no hydrogen 2.858 N/A GLY 269.A N ASP 267.A OD1 no hydrogen 3.283 N/A ASP 270.A N ASP 267.A O no hydrogen 3.005 N/A ASN 273.A N ASP 270.A O no hydrogen 3.350 N/A ASN 273.A ND2 ASP 267.A OD2 no hydrogen 3.095 N/A ASN 273.A ND2 ASP 270.A O no hydrogen 3.431 N/A ASN 273.A ND2 ASP 270.A OD2 no hydrogen 2.946 N/A ILE 275.A N ILE 265.A O no hydrogen 3.041 N/A SER 279.A N SER 276.A O no hydrogen 3.099 N/A SER 279.A OG GLY 183.A O no hydrogen 2.759 N/A PHE 280.A N GLY 278.A O no hydrogen 2.957 N/A ASN 281.A N GLY 182.A O no hydrogen 3.047 N/A ILE 285.A N ASN 281.A O no hydrogen 3.180 N/A LYS 286.A N ILE 282.A O no hydrogen 3.067 N/A LYS 287.A N ARG 283.A O no hydrogen 3.243 N/A ALA 288.A N ASP 284.A O no hydrogen 2.935 N/A PHE 289.A N ILE 285.A O no hydrogen 3.041 N/A ALA 290.A N LYS 286.A O no hydrogen 3.149 N/A GLY 291.A N LYS 287.A O no hydrogen 2.900 N/A ALA 292.A N ALA 288.A O no hydrogen 2.784 N/A PHE 293.A N PHE 289.A O no hydrogen 2.824 N/A ASP 294.A N ALA 290.A O no hydrogen 2.769 N/A LEU 295.A N GLY 291.A O no hydrogen 2.845 N/A LEU 296.A N ALA 292.A O no hydrogen 2.867 N/A THR 297.A N PHE 293.A O no hydrogen 2.928 N/A THR 297.A OG1 PHE 293.A O no hydrogen 2.925 N/A THR 297.A OG1 ASP 294.A O no hydrogen 3.199 N/A ASN 298.A N ASP 294.A O no hydrogen 2.908 N/A ARG 299.A N LEU 295.A O no hydrogen 2.939 N/A ARG 299.A NE SER 315.A O no hydrogen 3.226 N/A ARG 299.A NH1 GLU 302.A OE1 no hydrogen 3.090 N/A ARG 299.A NH2 SER 315.A O no hydrogen 2.881 N/A CYS 300.A N LEU 296.A O no hydrogen 2.920 N/A CYS 300.A SG LEU 296.A O no hydrogen 3.339 N/A PHE 301.A N THR 297.A O no hydrogen 3.015 N/A GLU 302.A N ASN 298.A O no hydrogen 2.910 N/A LEU 303.A N ARG 299.A O no hydrogen 2.994 N/A HIS 304.A N CYS 300.A O no hydrogen 2.999 N/A SER 305.A OG PHE 301.A O no hydrogen 2.820 N/A SER 305.A OG GLU 302.A O no hydrogen 3.399 N/A ALA 306.A N LEU 303.A O no hydrogen 2.979 N/A ASP 310.A N THR 307.A O no hydrogen 2.656 N/A ARG 311.A N THR 307.A O no hydrogen 3.236 N/A ARG 311.A N PHE 308.A O no hydrogen 3.183 N/A ARG 311.A NH2 GLN 14.A O no hydrogen 3.426 N/A LEU 312.A N PHE 308.A O no hydrogen 3.212 N/A GLY 313.A N ASP 10.A OD2 no hydrogen 2.870 N/A LYS 314.A N ARG 311.A O no hydrogen 2.852 N/A LYS 314.A NZ ASP 310.A O no hydrogen 3.197 N/A SER 315.A OG GLU 24.A OE2 no hydrogen 2.518 N/A ILE 316.A N GLU 24.A OE1 no hydrogen 2.819 N/A LEU 317.A N GLU 24.A OE1 no hydrogen 3.128 N/A GLY 318.A N SER 315.A OG no hydrogen 2.849 N/A VAL 320.A N LEU 317.A O no hydrogen 2.729 N/A ILE 321.A N LEU 317.A O no hydrogen 3.248 N/A