Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASP 1.A OD1 no hydrogen 3.093 N/A SER 3.A OG ASP 1.A OD1 no hydrogen 2.407 N/A SER 3.A OG HIS 4.A ND1 no hydrogen 2.810 N/A HIS 4.A ND1 SER 3.A OG no hydrogen 2.810 N/A HIS 4.A NE2 HIS 230.A ND1 no hydrogen 2.873 N/A THR 8.A N HIS 4.A O no hydrogen 2.797 N/A THR 8.A OG1 HIS 4.A O no hydrogen 2.847 N/A THR 8.A OG1 SER 224.A OG no hydrogen 3.240 N/A LYS 9.A N LYS 5.A O no hydrogen 2.935 N/A LYS 9.A NZ GLU 13.A OE2 no hydrogen 2.524 N/A PHE 10.A N GLU 6.A O no hydrogen 3.039 N/A CYS 11.A N PHE 7.A O no hydrogen 2.760 N/A CYS 11.A SG PHE 7.A O no hydrogen 3.326 N/A TYR 12.A N THR 8.A O no hydrogen 3.027 N/A GLU 13.A N LYS 9.A O no hydrogen 3.147 N/A VAL 14.A N PHE 10.A O no hydrogen 3.064 N/A TYR 15.A N CYS 11.A O no hydrogen 2.891 N/A ASN 16.A N TYR 12.A O no hydrogen 3.069 N/A GLU 17.A N VAL 14.A O no hydrogen 2.925 N/A ILE 18.A N VAL 14.A O no hydrogen 2.992 N/A ILE 18.A N TYR 15.A O no hydrogen 3.205 N/A LYS 19.A N TYR 15.A O no hydrogen 3.033 N/A LYS 19.A NZ ASN 16.A OD1 no hydrogen 2.679 N/A ILE 20.A N ALA 59.A O no hydrogen 3.407 N/A GLU 24.A N SER 21.A OG no hydrogen 3.084 N/A PHE 25.A N SER 21.A O no hydrogen 2.990 N/A LYS 26.A N ASP 22.A O no hydrogen 2.946 N/A GLU 27.A N LYS 23.A O no hydrogen 3.049 N/A LYS 28.A N GLU 24.A O no hydrogen 3.053 N/A ARG 29.A N PHE 25.A O no hydrogen 3.010 N/A ARG 29.A NH2 GLU 55.A OE1 no hydrogen 3.334 N/A ALA 30.A N LYS 26.A O no hydrogen 3.037 N/A ALA 31.A N GLU 27.A O no hydrogen 2.949 N/A LEU 32.A N LYS 28.A O no hydrogen 2.986 N/A ASP 33.A N ARG 29.A O no hydrogen 3.045 N/A THR 34.A N ALA 30.A O no hydrogen 2.955 N/A THR 34.A OG1 ALA 30.A O no hydrogen 3.100 N/A LEU 35.A N ALA 31.A O no hydrogen 2.911 N/A ARG 36.A N LEU 32.A O no hydrogen 2.921 N/A ARG 36.A NE LEU 48.A O no hydrogen 3.367 N/A ARG 36.A NH1 LEU 48.A O no hydrogen 2.751 N/A LEU 37.A N ASP 33.A O no hydrogen 3.181 N/A CYS 38.A N THR 34.A O no hydrogen 3.103 N/A CYS 38.A SG.B THR 34.A O no hydrogen 3.501 N/A LEU 39.A N LEU 35.A O no hydrogen 2.968 N/A LYS 40.A N ARG 36.A O no hydrogen 3.004 N/A LYS 40.A NZ PRO 44.A O no hydrogen 3.413 N/A LYS 40.A NZ ALA 46.A O no hydrogen 2.870 N/A ARG 41.A N LEU 37.A O no hydrogen 3.335 N/A ARG 41.A N CYS 38.A O no hydrogen 3.204 N/A ILE 42.A N LEU 39.A O no hydrogen 2.868 N/A SER 43.A N LEU 39.A O no hydrogen 3.129 N/A ASP 45.A N SER 43.A OG no hydrogen 2.933 N/A GLU 47.A N LEU 70.A O no hydrogen 2.979 N/A VAL 49.A N CYS 68.A O no hydrogen 2.872 N/A PHE 51.A N ASP 66.A O no hydrogen 2.880 N/A GLY 52.A N THR 129.A OG1 no hydrogen 2.796 N/A GLU 55.A N GLY 52.A O no hydrogen 2.946 N/A SER 56.A N GLY 52.A O no hydrogen 3.079 N/A SER 56.A OG GLY 52.A O no hydrogen 3.555 N/A SER 56.A OG SER 53.A O no hydrogen 3.212 N/A LEU 58.A N SER 53.A O no hydrogen 2.780 N/A LEU 58.A N SER 56.A OG no hydrogen 3.348 N/A LYS 61.A N ILE 18.A O no hydrogen 2.821 N/A LYS 61.A NZ GLU 17.A O no hydrogen 2.910 N/A ASN 62.A N GLU 24.A OE2 no hydrogen 3.003 N/A SER 63.A OG LEU 60.A O no hydrogen 3.163 N/A MET 65.A N GLN 115.A O no hydrogen 3.223 N/A LEU 67.A N ALA 117.A O no hydrogen 2.935 N/A CYS 68.A N VAL 49.A O no hydrogen 2.800 N/A CYS 68.A SG VAL 69.A O no hydrogen 3.922 N/A VAL 69.A N GLY 119.A O no hydrogen 2.859 N/A LEU 70.A N GLU 47.A O no hydrogen 2.933 N/A MET 71.A N ASN 121.A OD1 no hydrogen 2.936 N/A PHE 78.A N ILE 74.A O no hydrogen 2.805 N/A TYR 79.A N ALA 75.A O no hydrogen 2.845 N/A TYR 79.A OH GLY 89.A O no hydrogen 2.934 N/A GLU 80.A N LEU 76.A O no hydrogen 2.868 N/A GLU 81.A N GLN 77.A O no hydrogen 3.087 N/A LEU 82.A N PHE 78.A O no hydrogen 2.942 N/A ILE 83.A N TYR 79.A O no hydrogen 3.174 N/A ALA 84.A N GLU 80.A O no hydrogen 3.026 N/A GLU 85.A N GLU 81.A O no hydrogen 2.766 N/A GLY 86.A N ILE 83.A O no hydrogen 2.981 N/A PHE 87.A N LEU 82.A O no hydrogen 3.037 N/A GLU 88.A N SER 104.A O no hydrogen 2.856 N/A LYS 90.A N LYS 101.A O no hydrogen 2.732 N/A ALA 95.A N LEU 92.A O no hydrogen 3.300 N/A ILE 100.A N ILE 118.A O no hydrogen 2.847 N/A LYS 101.A N LYS 90.A O no hydrogen 2.900 N/A LYS 101.A NZ GLN 115.A OE1 no hydrogen 3.001 N/A LEU 102.A N CYS 116.A O no hydrogen 2.666 N/A THR 103.A N GLU 88.A O no hydrogen 2.813 N/A THR 103.A OG1 GLU 88.A O no hydrogen 3.528 N/A THR 103.A OG1 GLU 88.A OE1 no hydrogen 2.994 N/A SER 104.A N GLU 88.A O no hydrogen 3.401 N/A SER 104.A OG ALA 112.A O no hydrogen 3.236 N/A ASP 105.A N GLY 111.A O no hydrogen 3.254 N/A THR 106.A N GLY 86.A O no hydrogen 2.986 N/A THR 106.A OG1 GLY 86.A O no hydrogen 2.744 N/A LYS 107.A N ASP 105.A OD1 no hydrogen 3.226 N/A ASN 108.A N ASP 105.A OD1 no hydrogen 2.844 N/A ASN 108.A ND2 GLU 85.A O no hydrogen 3.340 N/A ASN 108.A ND2 ASP 105.A OD1 no hydrogen 2.662 N/A PHE 110.A N ASP 105.A OD2 no hydrogen 2.690 N/A PHE 114.A N GLY 111.A O no hydrogen 3.340 N/A CYS 116.A N LEU 102.A O no hydrogen 3.018 N/A ALA 117.A N MET 65.A O no hydrogen 3.086 N/A ILE 118.A N ILE 100.A O no hydrogen 2.715 N/A GLY 119.A N LEU 67.A O no hydrogen 2.856 N/A ASN 121.A N VAL 69.A O no hydrogen 2.718 N/A ARG 123.A NH1 ASN 121.A OD1 no hydrogen 3.447 N/A ARG 123.A NH2 MET 71.A O no hydrogen 2.995 N/A ILE 126.A N ASN 122.A O no hydrogen 3.448 N/A HIS 127.A N ARG 123.A O no hydrogen 3.044 N/A ASN 128.A N LEU 124.A O no hydrogen 2.959 N/A THR 129.A N ALA 125.A O no hydrogen 3.101 N/A THR 129.A OG1 ALA 125.A O no hydrogen 2.969 N/A LEU 130.A N ILE 126.A O no hydrogen 3.034 N/A LEU 131.A N HIS 127.A O no hydrogen 3.019 N/A LEU 132.A N ASN 128.A O no hydrogen 2.957 N/A SER 133.A N THR 129.A O no hydrogen 2.767 N/A SER 133.A OG.B GLU 55.A O no hydrogen 3.553 N/A SER 133.A OG.B THR 129.A O no hydrogen 2.943 N/A SER 134.A N LEU 130.A O no hydrogen 3.103 N/A SER 134.A OG LEU 130.A O no hydrogen 3.168 N/A TYR 135.A N LEU 131.A O no hydrogen 3.200 N/A TYR 135.A OH PRO 189.A O no hydrogen 2.965 N/A THR 136.A N LEU 132.A O no hydrogen 3.083 N/A THR 136.A OG1 SER 56.A O no hydrogen 3.219 N/A THR 136.A OG1 SER 133.A O no hydrogen 2.737 N/A LYS 137.A N SER 133.A O no hydrogen 3.141 N/A LEU 138.A N SER 134.A O no hydrogen 2.938 N/A LEU 138.A N TYR 135.A O no hydrogen 3.103 N/A ASP 139.A N TYR 135.A O no hydrogen 3.311 N/A ARG 141.A N ASP 139.A OD1 no hydrogen 2.927 N/A ARG 141.A NE ASP 139.A OD1 no hydrogen 2.953 N/A ARG 141.A NH1 ASN 221.A O no hydrogen 3.175 N/A ARG 141.A NH1 ASN 221.A OD1 no hydrogen 3.360 N/A ARG 141.A NH1 SER 223.A O no hydrogen 2.567 N/A ARG 141.A NH2 ASP 139.A OD2 no hydrogen 3.081 N/A ARG 141.A NH2 ASN 221.A O no hydrogen 2.873 N/A LEU 142.A N ASP 139.A O no hydrogen 3.157 N/A LYS 143.A NZ TYR 15.A OH no hydrogen 3.286 N/A MET 145.A N ARG 141.A O no hydrogen 3.255 N/A VAL 146.A N LEU 142.A O no hydrogen 2.892 N/A LEU 147.A N LYS 143.A O no hydrogen 3.061 N/A LEU 148.A N PRO 144.A O no hydrogen 2.991 N/A VAL 149.A N MET 145.A O no hydrogen 3.040 N/A LYS 150.A N VAL 146.A O no hydrogen 2.884 N/A LYS 150.A NZ LEU 58.A O no hydrogen 2.766 N/A HIS 151.A N LEU 147.A O no hydrogen 2.869 N/A TRP 152.A N LEU 148.A O no hydrogen 2.911 N/A ALA 153.A N VAL 149.A O no hydrogen 2.855 N/A LYS 154.A N LYS 150.A O no hydrogen 3.000 N/A ARG 155.A N HIS 151.A O no hydrogen 2.905 N/A ARG 155.A NH1 PHE 317.A O no hydrogen 2.844 N/A LYS 156.A N TRP 152.A O no hydrogen 2.892 N/A LYS 156.A NZ SER 315.A O no hydrogen 2.861 N/A LYS 156.A NZ GLU 318.A O no hydrogen 2.806 N/A GLN 157.A N LYS 154.A O no hydrogen 3.130 N/A ILE 158.A N ALA 153.A O no hydrogen 2.942 N/A ASN 159.A ND2 LEU 166.A O no hydrogen 2.974 N/A ASN 159.A ND2 SER 168.A OG no hydrogen 3.175 N/A SER 160.A N THR 165.A OG1 no hydrogen 2.846 N/A PHE 163.A N SER 160.A O no hydrogen 2.807 N/A THR 165.A N SER 160.A O no hydrogen 2.995 N/A THR 165.A OG1 SER 160.A O no hydrogen 3.379 N/A LEU 166.A N ILE 158.A O no hydrogen 3.336 N/A SER 168.A OG ASN 159.A OD1 no hydrogen 3.222 N/A TYR 169.A OH ASP 273.A OD1 no hydrogen 2.723 N/A GLY 170.A N SER 167.A OG no hydrogen 3.185 N/A TYR 171.A N SER 167.A O no hydrogen 3.243 N/A TYR 171.A OH ILE 158.A O no hydrogen 2.661 N/A VAL 172.A N SER 168.A O no hydrogen 3.034 N/A LEU 173.A N TYR 169.A O no hydrogen 2.961 N/A MET 174.A N GLY 170.A O no hydrogen 3.043 N/A VAL 175.A N TYR 171.A O no hydrogen 2.911 N/A LEU 176.A N VAL 172.A O no hydrogen 2.902 N/A TYR 177.A N LEU 173.A O no hydrogen 2.872 N/A TYR 177.A OH GLY 254.A O no hydrogen 2.526 N/A TYR 178.A N MET 174.A O no hydrogen 3.160 N/A LEU 179.A N VAL 175.A O no hydrogen 2.979 N/A ILE 180.A N LEU 176.A O no hydrogen 2.876 N/A HIS 181.A N TYR 177.A O no hydrogen 2.794 N/A VAL 182.A N TYR 178.A O no hydrogen 3.170 N/A ILE 183.A N TYR 178.A O no hydrogen 2.985 N/A VAL 187.A N LEU 179.A O no hydrogen 2.894 N/A ASN 190.A ND2 HIS 181.A NE2 no hydrogen 2.923 N/A ASN 190.A ND2 PHE 249.A O no hydrogen 3.006 N/A LEU 191.A N TYR 135.A OH no hydrogen 2.856 N/A LEU 192.A N ASN 190.A OD1 no hydrogen 2.973 N/A LEU 193.A N ASN 190.A O no hydrogen 3.304 N/A LEU 193.A N ASN 190.A OD1 no hydrogen 3.210 N/A SER 194.A OG ASP 210.A OD2 no hydrogen 3.167 N/A LEU 196.A N SER 194.A OG no hydrogen 3.118 N/A LYS 197.A N SER 194.A O no hydrogen 3.051 N/A LYS 197.A NZ ASP 206.A OD2 no hydrogen 2.416 N/A LYS 200.A N ASP 206.A OD1 no hydrogen 2.945 N/A VAL 202.A N PHE 205.A O no hydrogen 2.751 N/A PHE 205.A N VAL 202.A O no hydrogen 2.854 N/A VAL 207.A N LYS 200.A O no hydrogen 2.809 N/A GLY 208.A N ASP 206.A OD1 no hydrogen 2.978 N/A ASP 210.A N LEU 191.A O no hydrogen 2.883 N/A ASP 215.A N LYS 212.A O no hydrogen 3.196 N/A ILE 216.A N LEU 213.A O no hydrogen 3.032 N/A SER 219.A OG PRO 186.A O no hydrogen 3.472 N/A SER 219.A OG VAL 187.A O no hydrogen 2.916 N/A ASN 221.A N SER 219.A OG no hydrogen 2.997 N/A ASN 221.A ND2 PRO 185.A O no hydrogen 2.817 N/A TYR 222.A OH GLN 220.A OE1 no hydrogen 3.196 N/A SER 223.A N ASN 221.A OD1 no hydrogen 2.786 N/A SER 223.A OG ASN 221.A OD1 no hydrogen 2.749 N/A SER 224.A N ASP 1.A OD2 no hydrogen 2.697 N/A SER 224.A OG ASP 1.A OD2 no hydrogen 3.014 N/A SER 224.A OG THR 8.A OG1 no hydrogen 3.240 N/A SER 224.A OG SER 227.A OG no hydrogen 3.135 N/A GLY 226.A N THR 8.A OG1 no hydrogen 2.948 N/A SER 227.A N SER 224.A OG no hydrogen 3.179 N/A SER 227.A OG ASP 1.A OD1 no hydrogen 3.419 N/A SER 227.A OG ASP 1.A OD2 no hydrogen 2.596 N/A SER 227.A OG SER 3.A OG no hydrogen 2.970 N/A SER 227.A OG HIS 4.A ND1 no hydrogen 2.698 N/A SER 227.A OG SER 224.A OG no hydrogen 3.135 N/A LEU 228.A N SER 224.A O no hydrogen 3.005 N/A LEU 229.A N LEU 225.A O no hydrogen 2.976 N/A HIS 230.A N GLY 226.A O no hydrogen 3.044 N/A HIS 230.A ND1 HIS 4.A NE2 no hydrogen 2.873 N/A HIS 230.A NE2 ASN 305.A OD1 no hydrogen 2.572 N/A GLY 231.A N SER 227.A O no hydrogen 3.039 N/A PHE 232.A N LEU 228.A O no hydrogen 2.946 N/A PHE 233.A N LEU 229.A O no hydrogen 2.905 N/A ARG 234.A N HIS 230.A O no hydrogen 2.987 N/A ARG 234.A NH1 ASN 305.A OD1 no hydrogen 3.008 N/A PHE 235.A N GLY 231.A O no hydrogen 2.979 N/A TYR 236.A N PHE 232.A O no hydrogen 3.390 N/A TYR 236.A OH MET 174.A O no hydrogen 2.749 N/A ALA 237.A N PHE 233.A O no hydrogen 2.938 N/A TYR 238.A N ARG 234.A O no hydrogen 2.974 N/A LYS 239.A N PHE 235.A O no hydrogen 2.973 N/A PHE 240.A N PHE 235.A O no hydrogen 2.797 N/A GLU 244.A N GLU 241.A O no hydrogen 3.098 N/A LYS 245.A N GLU 241.A O no hydrogen 2.836 N/A LYS 245.A NZ GLU 241.A OE1 no hydrogen 3.387 N/A VAL 246.A N LEU 256.A O no hydrogen 2.864 N/A VAL 247.A N ALA 270.A O no hydrogen 2.939 N/A THR 248.A OG1 GLU 272.A OE2 no hydrogen 2.614 N/A ARG 250.A N THR 248.A OG1 no hydrogen 2.989 N/A ARG 250.A NH2 ASP 206.A O no hydrogen 3.506 N/A ARG 251.A NH1 GLU 260.A OE1 no hydrogen 2.870 N/A ARG 251.A NH1 GLU 260.A OE2 no hydrogen 2.724 N/A ARG 251.A NH2 GLU 260.A OE1 no hydrogen 2.411 N/A GLY 254.A N ARG 251.A O no hydrogen 2.897 N/A TYR 255.A N ASP 253.A OD1 no hydrogen 3.114 N/A LYS 258.A N GLU 244.A O no hydrogen 2.880 N/A LYS 258.A NZ PRO 242.A O no hydrogen 2.784 N/A LYS 258.A NZ ARG 243.A O no hydrogen 3.530 N/A LYS 258.A NZ TYR 267.A O no hydrogen 2.594 N/A LYS 258.A NZ ILE 268.A O no hydrogen 3.067 N/A GLU 260.A N THR 257.A OG1 no hydrogen 2.997 N/A LYS 261.A N THR 257.A O no hydrogen 3.183 N/A LYS 261.A NZ GLU 272.A OE1 no hydrogen 2.279 N/A LYS 261.A NZ ILE 277.A O no hydrogen 2.754 N/A GLY 262.A N GLN 259.A O no hydrogen 3.072 N/A TRP 263.A N LYS 258.A O no hydrogen 2.799 N/A ARG 266.A NE ARG 283.A O no hydrogen 3.309 N/A ILE 271.A N ASN 280.A OD1 no hydrogen 2.722 N/A GLU 272.A N VAL 247.A O no hydrogen 2.896 N/A ASP 273.A N HIS 279.A O no hydrogen 3.158 N/A PHE 275.A N ASP 273.A OD2 no hydrogen 2.818 N/A GLU 276.A N ASP 273.A OD2 no hydrogen 2.792 N/A HIS 279.A N GLU 276.A O no hydrogen 2.898 N/A ASN 280.A ND2 ARG 266.A O no hydrogen 2.758 N/A ASN 280.A ND2 LEU 269.A O no hydrogen 3.000 N/A VAL 281.A N ILE 271.A O no hydrogen 2.761 N/A GLY 282.A N ASN 280.A OD1 no hydrogen 2.970 N/A ARG 283.A N ASN 280.A O no hydrogen 3.135 N/A THR 284.A OG1 THR 165.A O no hydrogen 2.750 N/A VAL 285.A N GLY 282.A O no hydrogen 3.093 N/A SER 286.A N GLY 164.A O no hydrogen 2.938 N/A SER 286.A OG GLY 164.A O no hydrogen 3.446 N/A SER 286.A OG SER 288.A OG no hydrogen 3.230 N/A SER 288.A OG SER 286.A OG no hydrogen 3.230 N/A GLY 289.A N SER 286.A OG no hydrogen 3.085 N/A LEU 290.A N SER 286.A O no hydrogen 2.763 N/A TYR 291.A N SER 287.A O no hydrogen 3.197 N/A ARG 292.A N SER 288.A O no hydrogen 3.045 N/A ARG 292.A NH1 GLN 157.A O no hydrogen 3.053 N/A ARG 292.A NH2 GLN 157.A O no hydrogen 2.835 N/A ILE 293.A N GLY 289.A O no hydrogen 2.966 N/A ARG 294.A N LEU 290.A O no hydrogen 2.851 N/A GLY 295.A N TYR 291.A O no hydrogen 2.944 N/A GLU 296.A N ARG 292.A O no hydrogen 2.970 N/A PHE 297.A N ILE 293.A O no hydrogen 2.998 N/A MET 298.A N ARG 294.A O no hydrogen 2.998 N/A ALA 299.A N GLY 295.A O no hydrogen 3.010 N/A ALA 300.A N GLU 296.A O no hydrogen 2.952 N/A SER 301.A N PHE 297.A O no hydrogen 2.961 N/A SER 301.A OG PHE 297.A O no hydrogen 2.912 N/A ARG 302.A N MET 298.A O no hydrogen 2.774 N/A LEU 303.A N ALA 299.A O no hydrogen 2.995 N/A LEU 304.A N ALA 300.A O no hydrogen 3.126 N/A ASN 305.A N SER 301.A O no hydrogen 2.787 N/A ASN 305.A N ARG 302.A O no hydrogen 3.269 N/A SER 306.A N LEU 303.A O no hydrogen 3.454 N/A SER 308.A OG TYR 309.A O no hydrogen 3.406 N/A TYR 313.A N ILE 311.A O no hydrogen 2.894 N/A SER 315.A N PRO 312.A O no hydrogen 3.158 N/A SER 315.A OG PRO 312.A O no hydrogen 2.935 N/A LEU 316.A N TYR 313.A O no hydrogen 2.953 N/A PHE 317.A N ASP 314.A O no hydrogen 2.947 N/A GLU 318.A N SER 315.A O no hydrogen 3.256 N/A ALA 320.A N ARG 155.A O no hydrogen 2.943 N/A