Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yxo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 63.A OE2 no hydrogen 2.632 N/A ARG 3.A NE PRO 62.A O no hydrogen 2.853 N/A ARG 3.A NH2 TRP 61.A O no hydrogen 2.946 N/A PHE 4.A N PRO 30.A O no hydrogen 3.071 N/A ALA 5.A N GLY 113.A O no hydrogen 2.959 N/A LEU 6.A N ILE 32.A O no hydrogen 2.813 N/A THR 7.A N ILE 114.A O no hydrogen 3.026 N/A GLU 10.A N PRO 117.A O no hydrogen 2.970 N/A ALA 12.A N GLU 10.A OE2 no hydrogen 2.915 N/A GLY 13.A N GLU 10.A O no hydrogen 3.016 N/A ILE 14.A N THR 293.A O no hydrogen 2.980 N/A LEU 18.A N ILE 14.A O no hydrogen 2.922 N/A CYS 19.A N GLY 15.A O no hydrogen 3.108 N/A CYS 19.A SG GLY 15.A O no hydrogen 3.323 N/A LEU 20.A N PRO 16.A O no hydrogen 3.018 N/A LEU 21.A N ASP 17.A O no hydrogen 2.934 N/A LEU 22.A N LEU 18.A O no hydrogen 3.081 N/A ALA 23.A N CYS 19.A O no hydrogen 3.197 N/A ALA 23.A N LEU 20.A O no hydrogen 3.179 N/A ARG 24.A N LEU 21.A O no hydrogen 3.186 N/A ARG 24.A NE LEU 21.A O no hydrogen 2.921 N/A SER 25.A N LEU 22.A O no hydrogen 3.306 N/A GLN 27.A NE2 SER 25.A O no hydrogen 3.147 N/A ILE 32.A N PHE 4.A O no hydrogen 2.835 N/A ALA 33.A N TYR 72.A O no hydrogen 2.812 N/A ILE 34.A N LEU 6.A O no hydrogen 2.827 N/A SER 36.A N TYR 94.A OH no hydrogen 2.942 N/A ARG 37.A N ASP 75.A OD2 no hydrogen 2.875 N/A ARG 37.A NH1 LEU 53.A O no hydrogen 2.799 N/A ARG 37.A NH2 LEU 53.A O no hydrogen 2.735 N/A LEU 39.A N SER 36.A OG no hydrogen 2.981 N/A LEU 40.A N SER 36.A O no hydrogen 3.166 N/A GLN 41.A N ARG 37.A O no hydrogen 2.965 N/A GLU 42.A N THR 38.A O no hydrogen 2.891 N/A ARG 43.A N LEU 39.A O no hydrogen 2.928 N/A ARG 43.A NE GLN 46.A OE1 no hydrogen 2.837 N/A ARG 43.A NH1 PRO 11.A O no hydrogen 3.421 N/A ARG 43.A NH1 GLY 13.A O no hydrogen 2.963 N/A ARG 43.A NH1 ASP 17.A OD1 no hydrogen 2.762 N/A ARG 43.A NH2 PRO 11.A O no hydrogen 2.891 N/A ALA 44.A N LEU 40.A O no hydrogen 2.923 N/A GLY 45.A N GLN 41.A O no hydrogen 3.067 N/A GLN 46.A N GLU 42.A O no hydrogen 2.867 N/A LEU 47.A N ARG 43.A O no hydrogen 2.868 N/A GLY 48.A N GLY 45.A O no hydrogen 2.935 N/A LEU 49.A N ALA 44.A O no hydrogen 2.923 N/A ASP 52.A N GLY 69.A O no hydrogen 2.907 N/A LYS 54.A N LEU 71.A O no hydrogen 2.936 N/A VAL 56.A N VAL 73.A O no hydrogen 2.938 N/A ALA 59.A N SER 57.A OG no hydrogen 3.102 N/A ALA 60.A N SER 57.A O no hydrogen 2.837 N/A LYS 67.A N GLN 70.A OE1 no hydrogen 3.097 N/A GLY 69.A N ALA 23.A O no hydrogen 2.821 N/A GLN 70.A N LYS 67.A O no hydrogen 2.804 N/A GLN 70.A NE2 ASP 52.A OD2 no hydrogen 2.704 N/A LEU 71.A N ASP 52.A O no hydrogen 2.841 N/A TYR 72.A OH ARG 64.A O no hydrogen 2.612 N/A VAL 73.A N LYS 54.A O no hydrogen 2.939 N/A TRP 74.A N ALA 33.A O no hydrogen 2.703 N/A THR 76.A N ALA 35.A O no hydrogen 2.917 N/A THR 76.A OG1 TRP 74.A O no hydrogen 3.120 N/A ALA 79.A N ASN 91.A OD1 no hydrogen 2.823 N/A ALA 80.A N ASN 91.A OD1 no hydrogen 3.000 N/A GLY 85.A N ALA 12.A O no hydrogen 2.896 N/A GLN 86.A N ARG 83.A O no hydrogen 2.946 N/A ALA 90.A N ASP 88.A OD1 no hydrogen 2.870 N/A ASN 91.A N ASP 88.A O no hydrogen 2.845 N/A ASN 91.A ND2 ALA 80.A O no hydrogen 3.131 N/A ALA 92.A N ARG 89.A O no hydrogen 3.264 N/A VAL 95.A N ASN 91.A O no hydrogen 3.381 N/A LEU 96.A N ALA 92.A O no hydrogen 3.232 N/A GLU 97.A N ALA 93.A O no hydrogen 2.856 N/A THR 98.A N TYR 94.A O no hydrogen 3.061 N/A THR 98.A OG1 VAL 95.A O no hydrogen 2.694 N/A LEU 99.A N VAL 95.A O no hydrogen 3.141 N/A THR 100.A N LEU 96.A O no hydrogen 2.893 N/A THR 100.A OG1 LEU 96.A O no hydrogen 2.743 N/A ARG 101.A N GLU 97.A O no hydrogen 2.923 N/A ARG 101.A NH1 ASP 75.A O no hydrogen 3.004 N/A ALA 102.A N THR 98.A O no hydrogen 3.034 N/A GLY 103.A N LEU 99.A O no hydrogen 2.859 N/A GLN 104.A N THR 100.A O no hydrogen 2.740 N/A GLN 104.A NE2 ASP 108.A OD1 no hydrogen 2.880 N/A GLY 105.A N ARG 101.A O no hydrogen 2.879 N/A CYS 106.A N ALA 102.A O no hydrogen 3.106 N/A CYS 106.A N GLY 103.A O no hydrogen 3.146 N/A CYS 106.A SG ALA 102.A O no hydrogen 3.471 N/A LEU 107.A N GLY 103.A O no hydrogen 2.981 N/A ASP 108.A N GLN 104.A O no hydrogen 2.732 N/A GLY 109.A N CYS 106.A O no hydrogen 2.906 N/A HIS 110.A N GLY 105.A O no hydrogen 2.924 N/A PHE 111.A N GLY 105.A O no hydrogen 3.115 N/A ALA 112.A N ARG 3.A O no hydrogen 2.608 N/A THR 115.A N THR 287.A O no hydrogen 3.036 N/A THR 115.A OG1 THR 287.A O no hydrogen 3.373 N/A ALA 116.A N THR 7.A O no hydrogen 2.756 N/A LYS 120.A NZ SER 131.A O no hydrogen 3.416 N/A VAL 122.A N HIS 119.A ND1 no hydrogen 2.894 N/A ASN 124.A N LYS 120.A O no hydrogen 3.044 N/A ASN 124.A ND2 ILE 128.A O no hydrogen 2.931 N/A ASN 124.A ND2 PHE 130.A O no hydrogen 3.154 N/A GLU 125.A N GLY 121.A O no hydrogen 2.904 N/A ALA 126.A N VAL 122.A O no hydrogen 3.107 N/A ALA 126.A N ILE 123.A O no hydrogen 3.151 N/A GLY 127.A N ASN 124.A O no hydrogen 2.893 N/A ILE 128.A N ILE 123.A O no hydrogen 3.203 N/A PHE 136.A N GLY 132.A O no hydrogen 3.033 N/A LEU 137.A N HIS 133.A O no hydrogen 3.197 N/A ALA 138.A N THR 134.A O no hydrogen 3.063 N/A ASP 139.A N GLU 135.A O no hydrogen 3.057 N/A LEU 140.A N PHE 136.A O no hydrogen 2.967 N/A THR 141.A N LEU 137.A O no hydrogen 2.965 N/A THR 141.A OG1 LEU 137.A O no hydrogen 2.852 N/A THR 141.A OG1 ALA 138.A O no hydrogen 3.356 N/A THR 141.A OG1 THR 143.A OG1 no hydrogen 2.849 N/A HIS 142.A N ASP 139.A O no hydrogen 3.004 N/A THR 143.A N ALA 138.A O no hydrogen 2.756 N/A THR 143.A OG1 THR 141.A OG1 no hydrogen 2.849 N/A GLN 145.A NE2 VAL 146.A O no hydrogen 2.969 N/A VAL 147.A N LEU 280.A O no hydrogen 2.855 N/A LEU 148.A N VAL 155.A O no hydrogen 2.785 N/A ALA 149.A N VAL 276.A O no hydrogen 2.874 N/A THR 150.A N LEU 153.A O no hydrogen 2.856 N/A THR 150.A OG1 ALA 274.A O no hydrogen 3.435 N/A LEU 153.A N THR 150.A O no hydrogen 2.906 N/A ARG 154.A NH1 ASP 254.A O no hydrogen 2.882 N/A VAL 155.A N LEU 148.A O no hydrogen 2.696 N/A ALA 156.A N VAL 256.A O no hydrogen 2.764 N/A ALA 158.A N ALA 258.A O no hydrogen 2.856 N/A GLU 166.A N PRO 163.A O no hydrogen 3.068 N/A VAL 167.A N LEU 164.A O no hydrogen 3.147 N/A ALA 170.A N VAL 167.A O no hydrogen 2.965 N/A ILE 171.A N ALA 168.A O no hydrogen 3.266 N/A SER 172.A N ALA 170.A O no hydrogen 2.962 N/A ARG 175.A N SER 172.A OG no hydrogen 3.058 N/A ARG 175.A NH1 ALA 170.A O no hydrogen 2.840 N/A LEU 176.A N SER 172.A O no hydrogen 2.910 N/A THR 177.A N ASP 173.A O no hydrogen 2.958 N/A THR 177.A OG1 ASP 173.A O no hydrogen 2.744 N/A THR 177.A OG1 ASP 173.A OD1 no hydrogen 3.550 N/A ARG 178.A N GLU 174.A O no hydrogen 3.056 N/A ARG 178.A NE GLU 174.A O no hydrogen 3.198 N/A VAL 179.A N ARG 175.A O no hydrogen 2.876 N/A ALA 180.A N LEU 176.A O no hydrogen 2.903 N/A ARG 181.A N THR 177.A O no hydrogen 3.067 N/A ARG 181.A NH2 GLU 231.A OE2 no hydrogen 3.067 N/A ILE 182.A N ARG 178.A O no hydrogen 2.943 N/A LEU 183.A N VAL 179.A O no hydrogen 3.047 N/A HIS 184.A N ALA 180.A O no hydrogen 2.971 N/A ALA 185.A N ARG 181.A O no hydrogen 2.912 N/A ASP 186.A N ILE 182.A O no hydrogen 2.937 N/A LEU 187.A N LEU 183.A O no hydrogen 3.035 N/A ARG 188.A N HIS 184.A O no hydrogen 3.070 N/A ARG 188.A NE ASP 189.A OD1 no hydrogen 2.986 N/A ARG 188.A NH2 ASP 189.A OD2 no hydrogen 3.176 N/A ASP 189.A N ALA 185.A O no hydrogen 2.760 N/A LYS 190.A N ASP 186.A O no hydrogen 2.641 N/A LYS 190.A NZ ASP 186.A OD2 no hydrogen 2.908 N/A LYS 190.A NZ LEU 282.A O no hydrogen 3.385 N/A ILE 193.A N LEU 187.A O no hydrogen 3.040 N/A ARG 197.A N ASP 254.A OD2 no hydrogen 2.740 N/A ARG 197.A NE HIS 252.A O no hydrogen 2.802 N/A ILE 198.A N ASP 234.A O no hydrogen 2.960 N/A LEU 199.A N ALA 255.A O no hydrogen 3.041 N/A VAL 200.A N ILE 236.A O no hydrogen 2.739 N/A CYS 201.A N LEU 257.A O no hydrogen 2.921 N/A GLY 202.A N LEU 239.A O no hydrogen 3.121 N/A ASN 204.A N GLU 217.A OE2 no hydrogen 2.850 N/A ASN 204.A ND2 GLU 216.A OE1 no hydrogen 3.009 N/A ASN 204.A ND2 GLU 217.A OE1 no hydrogen 2.920 N/A GLY 208.A N PRO 205.A O no hydrogen 3.057 N/A GLU 209.A N HIS 206.A O no hydrogen 3.009 N/A HIS 212.A N GLU 209.A O no hydrogen 2.970 N/A LEU 213.A N GLY 208.A O no hydrogen 2.715 N/A ARG 215.A NE GLU 219.A OE2 no hydrogen 3.507 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.724 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.717 N/A GLU 219.A N ARG 215.A O no hydrogen 2.905 N/A VAL 220.A N GLU 216.A O no hydrogen 2.801 N/A ILE 221.A N GLU 216.A O no hydrogen 3.038 N/A GLU 222.A N GLU 217.A O no hydrogen 2.735 N/A CYS 224.A N VAL 220.A O no hydrogen 3.116 N/A CYS 224.A SG ASP 173.A O no hydrogen 3.654 N/A CYS 224.A SG ASP 173.A OD2 no hydrogen 2.778 N/A CYS 224.A SG THR 177.A OG1 no hydrogen 3.661 N/A CYS 224.A SG VAL 220.A O no hydrogen 3.376 N/A LEU 225.A N ILE 221.A O no hydrogen 2.993 N/A GLU 226.A N GLU 222.A O no hydrogen 2.891 N/A ARG 227.A N PRO 223.A O no hydrogen 2.972 N/A ARG 227.A NE GLU 231.A OE1 no hydrogen 2.617 N/A LEU 228.A N CYS 224.A O no hydrogen 3.045 N/A ARG 229.A N LEU 225.A O no hydrogen 2.775 N/A ARG 229.A NH1 LEU 235.A O no hydrogen 2.726 N/A ARG 229.A NH1 GLY 237.A O no hydrogen 3.217 N/A ARG 229.A NH2 GLY 237.A O no hydrogen 3.430 N/A GLY 230.A N GLU 226.A O no hydrogen 3.055 N/A GLU 231.A N LEU 228.A O no hydrogen 2.855 N/A GLY 232.A N ARG 229.A O no hydrogen 3.071 N/A LEU 233.A N LEU 228.A O no hydrogen 3.233 N/A LEU 235.A N LEU 233.A O no hydrogen 2.909 N/A ILE 236.A N ILE 198.A O no hydrogen 2.816 N/A LEU 239.A N VAL 200.A O no hydrogen 2.925 N/A THR 243.A N PRO 240.A O no hydrogen 2.873 N/A LEU 244.A N PRO 240.A O no hydrogen 3.044 N/A PHE 245.A N ALA 241.A O no hydrogen 3.114 N/A THR 246.A OG1 THR 243.A O no hydrogen 2.811 N/A HIS 249.A N THR 246.A O no hydrogen 2.868 N/A HIS 249.A ND1 THR 246.A OG1 no hydrogen 2.627 N/A LEU 250.A N THR 246.A O no hydrogen 3.064 N/A GLU 251.A N PRO 247.A O no hydrogen 2.980 N/A HIS 252.A N HIS 249.A O no hydrogen 3.038 N/A CYS 253.A N LEU 250.A O no hydrogen 3.369 N/A CYS 253.A SG LEU 250.A O no hydrogen 3.771 N/A ASP 254.A N ARG 197.A O no hydrogen 2.708 N/A VAL 256.A N ARG 154.A O no hydrogen 2.858 N/A LEU 257.A N LEU 199.A O no hydrogen 2.754 N/A ALA 258.A N ALA 156.A O no hydrogen 2.931 N/A HIS 260.A ND1 ASP 261.A OD1 no hydrogen 2.772 N/A GLN 262.A N TYR 259.A O no hydrogen 3.063 N/A GLN 262.A NE2 GLY 202.A O no hydrogen 2.961 N/A GLY 263.A N HIS 260.A O no hydrogen 3.413 N/A LEU 264.A N HIS 260.A O no hydrogen 3.145 N/A LYS 268.A N LEU 264.A O no hydrogen 2.774 N/A LYS 268.A NZ ASP 290.A OD2 no hydrogen 2.891 N/A TYR 269.A N PRO 265.A O no hydrogen 2.841 N/A LYS 270.A N VAL 266.A O no hydrogen 2.949 N/A GLY 271.A N LEU 267.A O no hydrogen 2.816 N/A PHE 272.A N LYS 268.A O no hydrogen 3.000 N/A ALA 274.A N GLY 271.A O no hydrogen 3.011 N/A VAL 276.A N ALA 149.A O no hydrogen 2.855 N/A ASN 277.A N SER 288.A O no hydrogen 2.738 N/A THR 279.A N ARG 286.A O no hydrogen 3.250 N/A LEU 280.A N VAL 147.A O no hydrogen 2.794 N/A GLY 281.A N ASP 186.A OD2 no hydrogen 2.970 N/A ARG 286.A NE THR 115.A OG1 no hydrogen 3.178 N/A ARG 286.A NH1 THR 279.A OG1 no hydrogen 2.794 N/A ARG 286.A NH2 THR 115.A OG1 no hydrogen 2.895 N/A THR 287.A OG1 ALA 311.A O no hydrogen 2.894 N/A SER 288.A OG THR 115.A O no hydrogen 3.080 N/A SER 288.A OG THR 115.A OG1 no hydrogen 2.923 N/A SER 288.A OG VAL 289.A O no hydrogen 2.912 N/A HIS 291.A ND1 GLY 292.A O no hydrogen 2.858 N/A LEU 297.A N ALA 294.A O no hydrogen 2.869 N/A ALA 298.A N LEU 295.A O no hydrogen 3.288 N/A GLY 299.A N ASP 17.A OD2 no hydrogen 2.769 N/A SER 300.A N LEU 297.A O no hydrogen 3.006 N/A SER 300.A OG LEU 297.A O no hydrogen 2.628 N/A ARG 302.A N SER 300.A OG no hydrogen 3.123 N/A GLY 306.A N ASP 304.A OD1 no hydrogen 2.714 N/A SER 307.A OG ALA 275.A O no hydrogen 3.131 N/A GLN 309.A N SER 305.A O no hydrogen 2.957 N/A GLN 309.A NE2 GLU 313.A OE2 no hydrogen 3.106 N/A VAL 310.A N GLY 306.A O no hydrogen 3.032 N/A ALA 311.A N SER 307.A O no hydrogen 2.908 N/A LEU 312.A N LEU 308.A O no hydrogen 2.863 N/A GLU 313.A N GLN 309.A O no hydrogen 3.001 N/A THR 314.A N VAL 310.A O no hydrogen 2.804 N/A THR 314.A OG1 VAL 310.A O no hydrogen 2.645 N/A ALA 315.A N ALA 311.A O no hydrogen 3.056 N/A TYR 316.A N LEU 312.A O no hydrogen 2.988 N/A TYR 316.A OH GLN 27.A OE1 no hydrogen 2.968 N/A GLN 317.A N GLU 313.A O no hydrogen 2.982 N/A ALA 319.A N TYR 316.A O no hydrogen 3.040 N/A SER 320.A N GLN 317.A O no hydrogen 2.875 N/A SER 320.A OG ASP 189.A O no hydrogen 3.134 N/A CYS 322.A SG PRO 283.A O no hydrogen 3.310 N/A