Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r39_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 PRO 89.A O no hydrogen 2.946 N/A TYR 6.A N VAL 17.A O no hydrogen 2.987 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.848 N/A GLN 8.A N TRP 15.A O no hydrogen 2.950 N/A LEU 10.A N THR 13.A O no hydrogen 2.872 N/A THR 13.A N LEU 10.A O no hydrogen 3.190 N/A TRP 15.A N GLN 8.A O no hydrogen 2.675 N/A GLU 16.A N TYR 100.A OH no hydrogen 3.046 N/A VAL 17.A N TYR 6.A O no hydrogen 3.283 N/A GLU 19.A N THR 4.A O no hydrogen 3.009 N/A ARG 20.A NE ASP 40.A OD1 no hydrogen 2.953 N/A ARG 20.A NH2 ASP 40.A OD1 no hydrogen 3.331 N/A ARG 20.A NH2 ASP 40.A OD2 no hydrogen 2.644 N/A TYR 21.A N PRO 18.A O no hydrogen 3.169 N/A TYR 21.A OH ASP 85.A OD2 no hydrogen 2.420 N/A GLN 22.A N PHE 39.A O no hydrogen 2.851 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.708 N/A SER 25.A N ALA 37.A O no hydrogen 2.837 N/A VAL 27.A N VAL 35.A O no hydrogen 2.870 N/A VAL 35.A N GLY 28.A O no hydrogen 3.018 N/A CYS 36.A N VAL 49.A O no hydrogen 2.916 N/A ALA 37.A N SER 25.A O no hydrogen 2.751 N/A ALA 38.A N VAL 47.A O no hydrogen 2.836 N/A PHE 39.A N GLN 22.A O no hydrogen 2.860 N/A ASP 40.A N LEU 45.A O no hydrogen 2.989 N/A THR 41.A N ARG 20.A O no hydrogen 2.851 N/A THR 41.A OG1 ARG 20.A O no hydrogen 2.703 N/A LYS 42.A N ASP 40.A OD1 no hydrogen 2.810 N/A THR 43.A N ASP 40.A OD1 no hydrogen 3.274 N/A THR 43.A OG1 ASP 40.A OD2 no hydrogen 2.665 N/A GLY 44.A N ASP 40.A O no hydrogen 2.659 N/A LEU 45.A N THR 43.A OG1 no hydrogen 3.323 N/A VAL 47.A N ALA 38.A O no hydrogen 2.748 N/A ALA 48.A N THR 103.A O no hydrogen 2.758 N/A VAL 49.A N CYS 36.A O no hydrogen 2.823 N/A LYS 50.A N LEU 101.A O no hydrogen 2.916 N/A LYS 51.A N SER 34.A O no hydrogen 2.949 N/A LYS 51.A NZ TYR 100.A OH no hydrogen 3.376 N/A LEU 52.A N VAL 99.A O no hydrogen 2.973 N/A SER 53.A N TYR 32.A O no hydrogen 3.269 N/A SER 53.A OG TYR 32.A O no hydrogen 2.908 N/A GLN 57.A N ARG 54.A O no hydrogen 3.345 N/A HIS 61.A N SER 58.A OG no hydrogen 3.272 N/A ALA 62.A N SER 58.A O no hydrogen 2.776 N/A LYS 63.A N ILE 59.A O no hydrogen 3.045 N/A LYS 63.A NZ GLU 322.A O no hydrogen 3.136 N/A LYS 63.A NZ GLU 322.A OE1 no hydrogen 2.704 N/A ARG 64.A N ILE 60.A O no hydrogen 3.008 N/A THR 65.A N HIS 61.A O no hydrogen 2.810 N/A THR 65.A OG1 PRO 55.A O no hydrogen 2.612 N/A THR 65.A OG1 HIS 61.A O no hydrogen 2.934 N/A TYR 66.A N ALA 62.A O no hydrogen 3.122 N/A ARG 67.A N LYS 63.A O no hydrogen 2.759 N/A ARG 67.A NE GLU 322.A OE1 no hydrogen 3.452 N/A ARG 67.A NE GLU 322.A OE2 no hydrogen 2.872 N/A ARG 67.A NH2 GLU 322.A OE1 no hydrogen 2.873 N/A GLU 68.A N ARG 64.A O no hydrogen 2.917 N/A LEU 69.A N THR 65.A O no hydrogen 3.165 N/A ARG 70.A N TYR 66.A O no hydrogen 2.875 N/A ARG 70.A NH1 TYR 66.A OH no hydrogen 2.831 N/A ARG 70.A NH2 ASP 318.A O no hydrogen 2.655 N/A LEU 71.A N ARG 67.A O no hydrogen 2.937 N/A LEU 72.A N GLU 68.A O no hydrogen 2.843 N/A LYS 73.A N LEU 69.A O no hydrogen 2.956 N/A LYS 73.A NZ GLU 338.A O no hydrogen 2.713 N/A LYS 73.A NZ GLU 338.A OE1 no hydrogen 3.178 N/A HIS 74.A N ARG 70.A O no hydrogen 3.177 N/A HIS 74.A NE2 ASP 315.A O no hydrogen 2.775 N/A MET 75.A N LEU 71.A O no hydrogen 3.356 N/A LYS 76.A N TYR 137.A OH no hydrogen 2.932 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.975 N/A ASN 79.A ND2 GLN 130.A OE1 no hydrogen 3.601 N/A ASN 79.A ND2 LEU 161.A O no hydrogen 3.041 N/A VAL 80.A N HIS 77.A O no hydrogen 3.043 N/A ILE 81.A N ILE 163.A O no hydrogen 3.025 N/A LEU 84.A N VAL 102.A O no hydrogen 2.773 N/A ASP 85.A N VAL 102.A O no hydrogen 3.337 N/A PHE 87.A N TYR 100.A O no hydrogen 3.032 N/A THR 88.A OG1 ASP 98.A O no hydrogen 2.858 N/A ALA 90.A N THR 88.A OG1 no hydrogen 3.311 N/A ARG 91.A N GLU 95.A OE1 no hydrogen 3.401 N/A SER 92.A OG GLU 94.A OE1 no hydrogen 3.077 N/A SER 92.A OG GLU 95.A OE2 no hydrogen 3.397 N/A GLU 95.A N SER 92.A O no hydrogen 3.100 N/A PHE 96.A N SER 92.A O no hydrogen 2.911 N/A ASN 97.A ND2 GLU 95.A O no hydrogen 3.201 N/A TYR 100.A N PHE 87.A O no hydrogen 2.914 N/A LEU 101.A N LYS 50.A O no hydrogen 3.032 N/A VAL 102.A N ASP 85.A O no hydrogen 2.784 N/A THR 103.A N ALA 48.A O no hydrogen 2.978 N/A HIS 104.A ND1 ARG 46.A O no hydrogen 3.042 N/A LEU 105.A N ARG 46.A O no hydrogen 3.219 N/A LEU 110.A N PRO 150.A O no hydrogen 3.094 N/A LEU 110.A N LEU 153.A O no hydrogen 2.753 N/A ASN 112.A N ASP 109.A OD1 no hydrogen 2.927 N/A ILE 113.A N ASP 109.A O no hydrogen 3.226 N/A ILE 113.A N LEU 110.A O no hydrogen 3.151 N/A VAL 114.A N LEU 110.A O no hydrogen 3.273 N/A LYS 115.A NZ ASN 112.A O no hydrogen 3.138 N/A CYS 116.A SG ASN 112.A O no hydrogen 3.578 N/A GLN 117.A NE2 ILE 113.A O no hydrogen 2.927 N/A THR 120.A N HIS 123.A ND1 no hydrogen 3.238 N/A THR 120.A OG1 HIS 123.A ND1 no hydrogen 3.115 N/A HIS 123.A N THR 120.A OG1 no hydrogen 3.151 N/A VAL 124.A N THR 120.A O no hydrogen 3.045 N/A GLN 125.A N ASP 121.A O no hydrogen 2.846 N/A GLN 125.A NE2 ASP 121.A OD2 no hydrogen 3.106 N/A PHE 126.A N ASP 122.A O no hydrogen 3.285 N/A LEU 127.A N HIS 123.A O no hydrogen 2.964 N/A ILE 128.A N VAL 124.A O no hydrogen 2.990 N/A TYR 129.A N GLN 125.A O no hydrogen 2.757 N/A TYR 129.A OH GLU 311.A OE2 no hydrogen 2.642 N/A GLN 130.A N PHE 126.A O no hydrogen 3.108 N/A GLN 130.A NE2 PHE 126.A O no hydrogen 3.179 N/A GLN 130.A NE2 CYS 159.A O no hydrogen 2.791 N/A ILE 131.A N LEU 127.A O no hydrogen 3.185 N/A LEU 132.A N ILE 128.A O no hydrogen 2.880 N/A ARG 133.A N TYR 129.A O no hydrogen 2.805 N/A ARG 133.A NE ASP 310.A O no hydrogen 2.686 N/A ARG 133.A NH1 ASN 79.A OD1 no hydrogen 2.572 N/A ARG 133.A NH2 GLU 78.A OE2 no hydrogen 2.874 N/A ARG 133.A NH2 ASP 310.A O no hydrogen 2.741 N/A ARG 133.A NH2 ASP 310.A OD1 no hydrogen 3.396 N/A GLY 134.A N GLN 130.A O no hydrogen 2.931 N/A LEU 135.A N ILE 131.A O no hydrogen 2.854 N/A LYS 136.A N LEU 132.A O no hydrogen 2.927 N/A LYS 136.A NZ GLU 311.A O no hydrogen 2.855 N/A TYR 137.A N ARG 133.A O no hydrogen 3.410 N/A TYR 137.A OH HIS 74.A O no hydrogen 3.372 N/A ILE 138.A N GLY 134.A O no hydrogen 2.956 N/A HIS 139.A N LEU 135.A O no hydrogen 2.815 N/A HIS 139.A NE2 ASP 199.A OD2 no hydrogen 2.799 N/A SER 140.A N LYS 136.A O no hydrogen 2.858 N/A SER 140.A OG LYS 136.A O no hydrogen 3.381 N/A SER 140.A OG TYR 137.A O no hydrogen 2.485 N/A ALA 141.A N ILE 138.A O no hydrogen 3.152 N/A ASP 142.A N HIS 139.A O no hydrogen 2.842 N/A ILE 143.A N ILE 138.A O no hydrogen 3.153 N/A HIS 145.A N ASP 199.A OD2 no hydrogen 3.004 N/A HIS 145.A NE2 LEU 164.A O no hydrogen 2.964 N/A ARG 146.A N ASP 199.A OD1 no hydrogen 3.063 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.075 N/A LYS 149.A NZ ASP 147.A OD2 no hydrogen 2.854 N/A ASN 152.A N LYS 149.A O no hydrogen 2.813 N/A LEU 153.A N PRO 150.A O no hydrogen 3.290 N/A ALA 154.A N LYS 162.A O no hydrogen 3.064 N/A VAL 155.A N ALA 108.A O no hydrogen 2.767 N/A ASN 156.A N GLU 160.A O no hydrogen 3.078 N/A ASN 156.A ND2 GLU 160.A OE1 no hydrogen 3.067 N/A ASP 158.A N ASN 156.A OD1 no hydrogen 2.594 N/A CYS 159.A N ASN 156.A O no hydrogen 2.794 N/A GLU 160.A N ASN 156.A OD1 no hydrogen 3.073 N/A LEU 161.A N GLN 130.A OE1 no hydrogen 2.984 N/A LYS 162.A N ALA 154.A O no hydrogen 3.053 N/A LYS 162.A NZ GLU 78.A O no hydrogen 2.739 N/A ILE 163.A N ASN 79.A O no hydrogen 2.826 N/A LEU 164.A N ASN 152.A O no hydrogen 2.730 N/A GLY 167.A N HIS 145.A O no hydrogen 2.566 N/A MET 173.A N ASP 170.A O no hydrogen 2.397 N/A THR 174.A N ASP 171.A O no hydrogen 3.345 N/A THR 174.A OG1 ASP 171.A O no hydrogen 3.028 N/A VAL 177.A N GLY 175.A O no hydrogen 2.836 N/A THR 179.A OG1 GLU 172.A O no hydrogen 2.584 N/A ARG 180.A N VAL 177.A O no hydrogen 3.291 N/A ARG 180.A NE GLN 225.A OE1 no hydrogen 2.689 N/A ARG 180.A NH1 MET 173.A O no hydrogen 2.505 N/A ARG 180.A NH1 GLY 175.A O no hydrogen 2.863 N/A ARG 180.A NH2 GLY 175.A O no hydrogen 3.154 N/A ARG 180.A NH2 GLN 225.A OE1 no hydrogen 3.028 N/A TRP 181.A N ALA 178.A O no hydrogen 3.192 N/A TRP 181.A NE1 GLY 219.A O no hydrogen 3.190 N/A TYR 182.A OH GLU 209.A OE1 no hydrogen 2.879 N/A ARG 183.A N ARG 180.A O no hydrogen 3.073 N/A ARG 183.A NH1 ARG 146.A O no hydrogen 2.863 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.771 N/A ILE 187.A N ALA 184.A O no hydrogen 3.250 N/A MET 188.A N ALA 184.A O no hydrogen 3.040 N/A LEU 189.A N PRO 185.A O no hydrogen 2.950 N/A ASN 190.A N ILE 187.A O no hydrogen 3.107 N/A TRP 191.A N GLU 186.A O no hydrogen 2.783 N/A GLN 196.A NE2 HIS 139.A O no hydrogen 3.574 N/A THR 197.A OG1 ASN 195.A OD1 no hydrogen 2.623 N/A VAL 198.A N ASN 195.A O no hydrogen 2.912 N/A ASP 199.A N GLN 196.A O no hydrogen 2.971 N/A TRP 201.A N THR 197.A O no hydrogen 3.246 N/A SER 202.A N VAL 198.A O no hydrogen 3.350 N/A SER 202.A OG TYR 182.A O no hydrogen 2.822 N/A SER 202.A OG VAL 198.A O no hydrogen 3.487 N/A VAL 203.A N ASP 199.A O no hydrogen 3.005 N/A GLY 204.A N ILE 200.A O no hydrogen 3.130 N/A CYS 205.A N TRP 201.A O no hydrogen 3.200 N/A CYS 205.A SG TRP 201.A O no hydrogen 3.440 N/A ILE 206.A N SER 202.A O no hydrogen 2.980 N/A MET 207.A N VAL 203.A O no hydrogen 2.771 N/A ALA 208.A N GLY 204.A O no hydrogen 2.873 N/A GLU 209.A N CYS 205.A O no hydrogen 3.217 N/A LEU 210.A N ILE 206.A O no hydrogen 2.956 N/A LEU 211.A N MET 207.A O no hydrogen 3.039 N/A THR 212.A N ALA 208.A O no hydrogen 2.941 N/A THR 212.A OG1 ALA 208.A O no hydrogen 3.189 N/A GLY 213.A N GLU 209.A O no hydrogen 2.558 N/A ARG 214.A N THR 212.A OG1 no hydrogen 3.025 N/A GLY 219.A N PHE 217.A O no hydrogen 2.799 N/A THR 220.A N ASP 224.A OD2 no hydrogen 2.808 N/A THR 220.A OG1 ASP 221.A OD2 no hydrogen 3.318 N/A ASP 224.A N ASP 221.A OD1 no hydrogen 2.859 N/A GLN 225.A N ASP 221.A O no hydrogen 2.881 N/A GLN 225.A NE2 ARG 180.A O no hydrogen 2.911 N/A LEU 226.A N HIS 222.A O no hydrogen 2.952 N/A LYS 227.A N ILE 223.A O no hydrogen 3.027 N/A LEU 228.A N ASP 224.A O no hydrogen 3.156 N/A ILE 229.A N GLN 225.A O no hydrogen 3.015 N/A LEU 230.A N LEU 226.A O no hydrogen 2.849 N/A ARG 231.A N LYS 227.A O no hydrogen 3.054 N/A LEU 232.A N LEU 228.A O no hydrogen 3.345 N/A VAL 233.A N ILE 229.A O no hydrogen 2.971 N/A THR 235.A N MET 259.A O no hydrogen 3.065 N/A THR 235.A OG1 MET 259.A O no hydrogen 3.357 N/A LEU 241.A N GLY 237.A O no hydrogen 3.030 N/A LYS 242.A N ALA 238.A O no hydrogen 3.152 N/A LYS 243.A N LEU 240.A O no hydrogen 3.209 N/A LYS 243.A NZ ASP 286.A OD1 no hydrogen 3.436 N/A LYS 243.A NZ ASP 286.A OD2 no hydrogen 2.829 N/A LYS 243.A NZ ASP 288.A OD2 no hydrogen 2.742 N/A ILE 244.A N LEU 241.A O no hydrogen 3.210 N/A ALA 249.A N SER 246.A OG no hydrogen 3.249 N/A ARG 250.A N SER 246.A O no hydrogen 3.323 N/A ARG 250.A NH1 ILE 244.A O no hydrogen 2.855 N/A ASN 251.A N GLU 247.A O no hydrogen 3.012 N/A TYR 252.A N SER 248.A O no hydrogen 2.743 N/A ILE 253.A N ALA 249.A O no hydrogen 2.749 N/A GLN 254.A N ARG 250.A O no hydrogen 2.768 N/A GLN 254.A NE2 ARG 250.A O no hydrogen 3.435 N/A SER 255.A N TYR 252.A O no hydrogen 2.971 N/A SER 255.A OG TYR 252.A O no hydrogen 2.567 N/A LEU 256.A N ILE 253.A O no hydrogen 3.324 N/A MET 259.A N THR 235.A OG1 no hydrogen 2.848 N/A LYS 261.A NZ GLU 280.A OE2 no hydrogen 2.746 N/A MET 262.A N LEU 232.A O no hydrogen 2.889 N/A ALA 265.A N ASN 263.A OD1 no hydrogen 2.883 N/A ASN 266.A N ASN 263.A O no hydrogen 3.212 N/A VAL 267.A N PHE 264.A O no hydrogen 3.074 N/A PHE 268.A N PHE 264.A O no hydrogen 2.928 N/A ALA 271.A N PHE 268.A O no hydrogen 3.102 N/A ASN 272.A ND2 ASP 121.A OD2 no hydrogen 3.361 N/A LEU 274.A N ASN 272.A OD1 no hydrogen 2.775 N/A VAL 276.A N ASN 272.A O no hydrogen 3.091 N/A ASP 277.A N PRO 273.A O no hydrogen 2.899 N/A LEU 278.A N LEU 274.A O no hydrogen 3.035 N/A LEU 279.A N ALA 275.A O no hydrogen 2.988 N/A GLU 280.A N VAL 276.A O no hydrogen 3.194 N/A GLU 280.A N ASP 277.A O no hydrogen 3.068 N/A LYS 281.A N ASP 277.A O no hydrogen 3.197 N/A MET 282.A N LEU 278.A O no hydrogen 2.940 N/A LEU 283.A N LEU 279.A O no hydrogen 2.866 N/A ASP 288.A N ASP 286.A OD1 no hydrogen 2.930 N/A LYS 289.A N ASP 286.A O no hydrogen 2.947 N/A LYS 289.A NZ GLU 239.A OE2 no hydrogen 2.836 N/A ARG 290.A N SER 287.A O no hydrogen 3.264 N/A ARG 290.A NE VAL 284.A O no hydrogen 2.932 N/A ARG 290.A NH1 GLU 186.A OE2 no hydrogen 2.711 N/A ARG 290.A NH1 THR 197.A O no hydrogen 3.086 N/A ARG 290.A NH2 GLU 186.A OE1 no hydrogen 2.783 N/A ARG 290.A NH2 LEU 285.A O no hydrogen 3.272 N/A ILE 291.A N LYS 281.A O no hydrogen 3.182 N/A GLN 295.A N THR 292.A OG1 no hydrogen 3.125 N/A GLN 295.A NE2 THR 292.A OG1 no hydrogen 3.161 N/A ALA 296.A N THR 292.A O no hydrogen 2.725 N/A LEU 297.A N ALA 293.A O no hydrogen 2.998 N/A ALA 298.A N GLN 295.A O no hydrogen 3.171 N/A HIS 299.A N ALA 296.A O no hydrogen 2.904 N/A HIS 299.A NE2 ASP 277.A OD2 no hydrogen 2.881 N/A TYR 301.A N HIS 299.A ND1 no hydrogen 2.921 N/A TYR 301.A OH ASP 121.A OD1 no hydrogen 2.939 N/A PHE 302.A N HIS 299.A O no hydrogen 3.041 N/A ALA 303.A N ALA 300.A O no hydrogen 3.158 N/A TYR 305.A N PHE 302.A O no hydrogen 2.815 N/A TYR 305.A OH ASP 122.A O no hydrogen 3.376 N/A HIS 306.A N PHE 302.A O no hydrogen 2.755 N/A HIS 306.A ND1 GLU 311.A OE2 no hydrogen 2.776 N/A ASP 307.A N GLU 311.A OE2 no hydrogen 2.877 N/A ASP 309.A N ASP 307.A OD1 no hydrogen 2.932 N/A ASP 310.A N ASP 307.A O no hydrogen 2.790 N/A ALA 314.A N SER 140.A OG no hydrogen 2.624 N/A GLN 319.A NE2 ASP 142.A O no hydrogen 3.182 N/A GLN 319.A NE2 TYR 317.A O no hydrogen 3.359 N/A SER 320.A N ASP 318.A OD1 no hydrogen 3.000 N/A SER 320.A OG ASP 318.A OD1 no hydrogen 2.649 N/A GLU 322.A N GLN 319.A O no hydrogen 2.956 N/A SER 323.A N SER 320.A O no hydrogen 3.304 N/A SER 323.A OG SER 320.A O no hydrogen 3.283 N/A ARG 324.A N PHE 321.A O no hydrogen 3.018 N/A LEU 327.A N GLU 330.A OE1 no hydrogen 2.915 N/A GLU 330.A N LEU 327.A O no hydrogen 3.245 N/A TRP 331.A N LEU 327.A O no hydrogen 3.135 N/A LYS 332.A N ILE 328.A O no hydrogen 2.956 N/A LYS 332.A NZ PHE 96.A O no hydrogen 3.092 N/A SER 333.A N ASP 329.A O no hydrogen 3.208 N/A LEU 334.A N GLU 330.A O no hydrogen 3.068 N/A THR 335.A N TRP 331.A O no hydrogen 2.908 N/A THR 335.A OG1 TRP 331.A O no hydrogen 2.875 N/A TYR 336.A N LYS 332.A O no hydrogen 2.772 N/A ASP 337.A N SER 333.A O no hydrogen 2.811 N/A GLU 338.A N LEU 334.A O no hydrogen 2.973 N/A VAL 339.A N THR 335.A O no hydrogen 3.026 N/A ILE 340.A N TYR 336.A O no hydrogen 3.185 N/A SER 341.A N ASP 337.A O no hydrogen 3.129 N/A SER 341.A OG ASP 337.A O no hydrogen 2.736 N/A SER 341.A OG GLU 338.A O no hydrogen 3.290 N/A PHE 342.A N VAL 339.A O no hydrogen 2.953 N/A