Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1uir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A OH ASP 2.A O no hydrogen 2.416 N/A PHE 7.A N ARG 19.A O no hydrogen 2.817 N/A GLU 9.A N LEU 17.A O no hydrogen 2.644 N/A HIS 10.A N LYS 51.A O no hydrogen 3.203 N/A HIS 10.A ND1 ASP 52.A OD1 no hydrogen 2.735 N/A THR 12.A N GLU 15.A O no hydrogen 3.104 N/A THR 12.A OG1 GLU 15.A OE1 no hydrogen 2.506 N/A TYR 14.A N THR 12.A OG1 no hydrogen 2.914 N/A TYR 14.A OH GLU 301.A OE1 no hydrogen 3.374 N/A GLU 15.A N THR 12.A OG1 no hydrogen 2.876 N/A LEU 17.A N GLU 9.A O no hydrogen 2.857 N/A ARG 19.A N PHE 7.A O no hydrogen 2.967 N/A ARG 19.A NE GLU 9.A OE1 no hydrogen 2.899 N/A ARG 19.A NH1 GLY 226.A O no hydrogen 3.037 N/A ARG 19.A NH2 GLU 9.A OE1 no hydrogen 2.886 N/A ARG 19.A NH2 GLY 226.A O no hydrogen 2.792 N/A ARG 20.A NH1 TYR 3.A O no hydrogen 2.806 N/A ARG 20.A NH1 TYR 6.A OH no hydrogen 3.284 N/A MET 21.A N MET 5.A O no hydrogen 2.832 N/A GLU 22.A N GLU 39.A O no hydrogen 2.712 N/A ILE 25.A N LEU 37.A O no hydrogen 2.897 N/A ALA 26.A N LEU 37.A O no hydrogen 3.129 N/A GLY 28.A N TYR 35.A O no hydrogen 2.978 N/A THR 30.A N GLN 33.A O no hydrogen 2.882 N/A THR 30.A OG1 GLN 33.A O no hydrogen 3.145 N/A THR 30.A OG1 ASP 110.A OD1 no hydrogen 2.765 N/A PHE 32.A N THR 30.A OG1 no hydrogen 2.981 N/A GLN 33.A N THR 30.A OG1 no hydrogen 3.042 N/A ASP 34.A N ASP 50.A OD1 no hydrogen 3.072 N/A TYR 35.A N GLY 28.A O no hydrogen 2.994 N/A PHE 36.A N ILE 48.A O no hydrogen 2.925 N/A LEU 37.A N ALA 26.A O no hydrogen 2.666 N/A PHE 38.A N VAL 46.A O no hydrogen 2.948 N/A GLU 39.A N ARG 23.A O no hydrogen 2.859 N/A SER 40.A N GLY 44.A O no hydrogen 2.906 N/A SER 40.A OG GLY 44.A O no hydrogen 2.572 N/A LYS 45.A N GLU 57.A OE1 no hydrogen 2.911 N/A LYS 45.A NZ HIS 120.A O no hydrogen 2.918 N/A LYS 45.A NZ GLU 123.A OE1 no hydrogen 2.689 N/A LYS 45.A NZ GLU 123.A OE2 no hydrogen 3.242 N/A VAL 46.A N PHE 38.A O no hydrogen 2.744 N/A LEU 47.A N SER 55.A O no hydrogen 2.931 N/A ILE 48.A N PHE 36.A O no hydrogen 2.721 N/A LEU 49.A N ASP 52.A O no hydrogen 2.969 N/A ASP 50.A N ASP 34.A O no hydrogen 2.831 N/A ASP 52.A N LEU 49.A O no hydrogen 3.222 N/A VAL 53.A N GLU 9.A OE2 no hydrogen 3.244 N/A GLN 54.A N LEU 47.A O no hydrogen 2.724 N/A GLN 54.A NE2 GLU 88.A OE1 no hydrogen 2.769 N/A SER 55.A N LEU 47.A O no hydrogen 3.400 N/A THR 56.A OG1 ASP 59.A OD2 no hydrogen 2.513 N/A GLU 57.A N LYS 45.A O no hydrogen 2.762 N/A ARG 58.A N PHE 43.A O no hydrogen 2.972 N/A ARG 58.A NH1 LYS 41.A O no hydrogen 2.805 N/A ARG 58.A NH1 GLY 42.A O no hydrogen 3.180 N/A ASP 59.A N THR 56.A OG1 no hydrogen 3.371 N/A GLU 60.A N THR 56.A O no hydrogen 2.945 N/A ILE 62.A N ASP 59.A O no hydrogen 2.996 N/A TYR 63.A OH ASP 158.A OD2 no hydrogen 2.587 N/A HIS 64.A N GLU 60.A O no hydrogen 2.820 N/A GLU 65.A N TYR 61.A O no hydrogen 2.843 N/A THR 66.A N ILE 62.A O no hydrogen 2.998 N/A THR 66.A OG1 ILE 62.A O no hydrogen 2.732 N/A LEU 67.A N TYR 63.A O no hydrogen 2.865 N/A VAL 68.A N HIS 64.A O no hydrogen 3.019 N/A HIS 69.A N GLU 65.A O no hydrogen 3.133 N/A HIS 69.A ND1 HIS 98.A NE2 no hydrogen 2.864 N/A HIS 69.A NE2 GLU 94.A OE1 no hydrogen 2.651 N/A MET 72.A N VAL 68.A O no hydrogen 3.149 N/A LEU 73.A N HIS 69.A O no hydrogen 2.693 N/A THR 74.A N PRO 70.A O no hydrogen 3.004 N/A THR 74.A OG1 PRO 242.A O no hydrogen 3.063 N/A HIS 75.A N MET 72.A O no hydrogen 3.360 N/A GLU 77.A N HIS 75.A ND1 no hydrogen 3.009 N/A LYS 79.A N ASP 153.A OD1 no hydrogen 2.748 N/A ARG 80.A N ASP 153.A OD1 no hydrogen 2.777 N/A VAL 81.A N LYS 103.A O no hydrogen 2.910 N/A LEU 82.A N VAL 154.A O no hydrogen 2.969 N/A ILE 83.A N VAL 105.A O no hydrogen 2.726 N/A VAL 84.A N ILE 156.A O no hydrogen 2.887 N/A GLY 85.A N VAL 107.A O no hydrogen 3.046 N/A GLY 86.A N ASP 158.A O no hydrogen 3.220 N/A GLU 88.A N GLU 88.A OE2 no hydrogen 2.569 N/A GLY 89.A N GLY 86.A O no hydrogen 3.297 N/A THR 91.A OG1 HIS 64.A ND1 no hydrogen 3.385 N/A THR 91.A OG1 ASP 158.A OD1 no hydrogen 2.769 N/A ARG 93.A N GLY 89.A O no hydrogen 3.109 N/A ARG 93.A NE GLU 94.A OE2 no hydrogen 2.983 N/A ARG 93.A NH1 GLU 60.A OE1 no hydrogen 2.893 N/A ARG 93.A NH1 GLU 60.A OE2 no hydrogen 3.548 N/A ARG 93.A NH1 GLU 94.A OE2 no hydrogen 2.899 N/A ARG 93.A NH2 GLU 60.A OE1 no hydrogen 3.343 N/A ARG 93.A NH2 GLU 60.A OE2 no hydrogen 2.758 N/A ARG 93.A NH2 TRP 124.A O no hydrogen 2.803 N/A GLU 94.A N ALA 90.A O no hydrogen 2.988 N/A VAL 95.A N THR 91.A O no hydrogen 3.050 N/A LEU 96.A N LEU 92.A O no hydrogen 2.853 N/A LYS 97.A N GLU 94.A O no hydrogen 3.197 N/A LYS 97.A NZ GLU 94.A OE1 no hydrogen 2.780 N/A LYS 97.A NZ GLU 94.A OE2 no hydrogen 3.191 N/A LYS 97.A NZ ALA 260.A O no hydrogen 3.045 N/A HIS 98.A N VAL 95.A O no hydrogen 3.263 N/A HIS 98.A NE2 HIS 69.A ND1 no hydrogen 2.864 N/A THR 100.A OG1 PRO 78.A O no hydrogen 2.666 N/A VAL 101.A N HIS 98.A O no hydrogen 3.015 N/A GLU 102.A N LYS 79.A O no hydrogen 2.742 N/A LYS 103.A N LYS 79.A O no hydrogen 3.142 N/A LYS 103.A NZ GLU 150.A OE1 no hydrogen 3.474 N/A LYS 103.A NZ GLU 150.A OE2 no hydrogen 3.161 N/A ALA 104.A N ARG 133.A O no hydrogen 2.790 N/A VAL 105.A N VAL 81.A O no hydrogen 2.877 N/A MET 106.A N VAL 135.A O no hydrogen 2.848 N/A VAL 107.A N ILE 83.A O no hydrogen 2.844 N/A ASP 108.A N VAL 137.A O no hydrogen 2.940 N/A ASP 110.A N ASP 108.A OD1 no hydrogen 2.996 N/A LEU 113.A N ASP 110.A OD2 no hydrogen 3.015 N/A VAL 114.A N ASP 110.A O no hydrogen 3.152 N/A GLU 115.A N GLY 111.A O no hydrogen 3.024 N/A VAL 116.A N GLU 112.A O no hydrogen 3.066 N/A ALA 117.A N LEU 113.A O no hydrogen 3.037 N/A LYS 118.A N VAL 114.A O no hydrogen 2.897 N/A ARG 119.A N GLU 115.A O no hydrogen 2.995 N/A HIS 120.A N VAL 116.A O no hydrogen 2.800 N/A MET 121.A N ALA 117.A O no hydrogen 2.672 N/A GLU 123.A N GLU 123.A OE2 no hydrogen 2.712 N/A TRP 124.A N MET 121.A O no hydrogen 3.008 N/A TRP 124.A NE1 SER 55.A OG no hydrogen 2.831 N/A HIS 125.A N MET 121.A O no hydrogen 3.475 N/A HIS 125.A NE2 LYS 118.A O no hydrogen 3.177 N/A GLN 126.A N PRO 122.A O no hydrogen 2.944 N/A GLY 127.A N HIS 125.A ND1 no hydrogen 3.133 N/A ALA 128.A N HIS 125.A O no hydrogen 2.724 N/A ASP 130.A N GLY 127.A O no hydrogen 3.072 N/A ASP 131.A N ALA 128.A O no hydrogen 3.134 N/A ARG 133.A N ASP 131.A OD1 no hydrogen 2.663 N/A ARG 133.A NE ASP 131.A OD1 no hydrogen 3.210 N/A ARG 133.A NH1 LEU 96.A O no hydrogen 3.344 N/A ARG 133.A NH1 VAL 101.A O no hydrogen 2.949 N/A ARG 133.A NH2 LEU 96.A O no hydrogen 2.994 N/A ARG 133.A NH2 ASP 131.A OD2 no hydrogen 2.960 N/A ALA 134.A N ASP 131.A O no hydrogen 2.837 N/A VAL 135.A N ALA 104.A O no hydrogen 2.912 N/A VAL 137.A N MET 106.A O no hydrogen 2.776 N/A ASP 139.A N ASP 108.A O no hydrogen 2.911 N/A ASP 140.A N ASP 139.A OD2 no hydrogen 2.506 N/A ARG 142.A NH1 ASP 292.A OD1 no hydrogen 3.183 N/A ARG 142.A NH2 LEU 171.A O no hydrogen 3.223 N/A ARG 142.A NH2 ASP 292.A OD1 no hydrogen 3.286 N/A ARG 142.A NH2 ASP 292.A OD2 no hydrogen 2.774 N/A ALA 143.A N ASP 140.A OD2 no hydrogen 2.487 N/A TYR 144.A N ASP 140.A O no hydrogen 2.797 N/A TYR 144.A OH TYR 152.A OH no hydrogen 2.851 N/A LEU 145.A N ALA 141.A O no hydrogen 2.823 N/A GLU 146.A N ARG 142.A O no hydrogen 2.675 N/A ARG 147.A N ALA 143.A O no hydrogen 3.040 N/A ARG 147.A NH1 ASP 139.A OD1 no hydrogen 3.132 N/A THR 148.A N TYR 144.A O no hydrogen 2.839 N/A GLU 150.A N THR 148.A OG1 no hydrogen 3.285 N/A TYR 152.A N HIS 184.A O no hydrogen 2.681 N/A ASP 153.A N ARG 80.A O no hydrogen 2.827 N/A VAL 154.A N ARG 80.A O no hydrogen 3.394 N/A VAL 155.A N VAL 190.A O no hydrogen 3.132 N/A ILE 156.A N LEU 82.A O no hydrogen 2.801 N/A ILE 157.A N GLY 192.A O no hydrogen 2.826 N/A ASP 158.A N VAL 84.A O no hydrogen 2.806 N/A THR 160.A OG1 ASP 161.A O no hydrogen 3.565 N/A VAL 163.A N ASP 161.A O no hydrogen 2.921 N/A GLY 164.A N VAL 298.A O no hydrogen 2.918 N/A ASN 167.A N GLY 164.A O no hydrogen 3.165 N/A ASN 167.A ND2 VAL 163.A O no hydrogen 3.259 N/A ALA 169.A N ASN 167.A OD1 no hydrogen 2.663 N/A ARG 170.A N ASN 167.A O no hydrogen 3.249 N/A ARG 170.A NE PRO 295.A O no hydrogen 3.298 N/A ARG 170.A NH1 PRO 295.A O no hydrogen 2.637 N/A ARG 170.A NH2 GLU 165.A O no hydrogen 2.668 N/A LEU 171.A N PRO 168.A O no hydrogen 3.218 N/A LEU 172.A N ALA 169.A O no hydrogen 2.817 N/A TYR 173.A N ARG 170.A O no hydrogen 3.170 N/A TYR 173.A OH THR 160.A O no hydrogen 3.063 N/A THR 174.A OG1 GLU 176.A OE2 no hydrogen 3.511 N/A THR 174.A OG1 ASP 292.A OD2 no hydrogen 2.767 N/A VAL 175.A N SER 290.A O no hydrogen 2.731 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.757 N/A PHE 177.A N THR 174.A OG1 no hydrogen 3.163 N/A TYR 178.A N THR 174.A O no hydrogen 3.251 N/A ARG 179.A N VAL 175.A O no hydrogen 3.011 N/A LEU 180.A N GLU 176.A O no hydrogen 2.858 N/A VAL 181.A N PHE 177.A O no hydrogen 2.867 N/A LYS 182.A N TYR 178.A O no hydrogen 2.880 N/A LYS 182.A NZ ASP 238.A OD1 no hydrogen 2.881 N/A ALA 183.A N ARG 179.A O no hydrogen 2.908 N/A HIS 184.A N VAL 181.A O no hydrogen 2.860 N/A HIS 184.A ND1 LEU 180.A O no hydrogen 2.895 N/A HIS 184.A NE2 THR 148.A O no hydrogen 3.280 N/A LEU 185.A N LYS 182.A O no hydrogen 3.132 N/A ASN 186.A N TYR 152.A O no hydrogen 2.749 N/A GLY 189.A N ASN 186.A O no hydrogen 2.911 N/A VAL 190.A N ASP 153.A O no hydrogen 2.946 N/A MET 191.A N ALA 236.A O no hydrogen 2.906 N/A GLY 192.A N VAL 155.A O no hydrogen 2.840 N/A MET 193.A N LEU 234.A O no hydrogen 3.122 N/A GLN 194.A N ILE 157.A O no hydrogen 3.259 N/A THR 195.A N GLY 232.A O no hydrogen 2.721 N/A THR 195.A OG1 MET 193.A O no hydrogen 3.423 N/A ILE 198.A N ASN 230.A O no hydrogen 2.803 N/A ARG 201.A NE GLU 286.A OE2 no hydrogen 2.707 N/A ARG 201.A NH2 GLU 286.A OE1 no hydrogen 2.716 N/A HIS 203.A ND1 THR 195.A O no hydrogen 2.978 N/A HIS 203.A NE2 SER 219.A OG no hydrogen 2.740 N/A VAL 205.A N ARG 201.A O no hydrogen 2.919 N/A VAL 206.A N VAL 202.A O no hydrogen 2.920 N/A HIS 207.A N HIS 203.A O no hydrogen 2.913 N/A HIS 207.A ND1 SER 219.A OG no hydrogen 2.725 N/A ARG 208.A N PRO 204.A O no hydrogen 2.934 N/A ARG 208.A NH1 GLU 212.A OE2 no hydrogen 3.188 N/A ARG 208.A NH2 ARG 208.A O no hydrogen 2.899 N/A ARG 208.A NH2 GLU 212.A OE2 no hydrogen 2.870 N/A THR 209.A N VAL 205.A O no hydrogen 2.852 N/A THR 209.A OG1 VAL 205.A O no hydrogen 2.906 N/A VAL 210.A N VAL 206.A O no hydrogen 2.858 N/A ARG 211.A N HIS 207.A O no hydrogen 3.013 N/A ARG 211.A NH1 ARG 211.A O no hydrogen 2.925 N/A GLU 212.A N THR 209.A O no hydrogen 3.026 N/A ALA 213.A N VAL 210.A O no hydrogen 2.827 N/A PHE 214.A N VAL 210.A O no hydrogen 2.899 N/A ARG 215.A N ASP 238.A OD2 no hydrogen 2.547 N/A ARG 215.A NH1 ARG 215.A O no hydrogen 3.462 N/A TYR 216.A N SER 237.A O no hydrogen 2.895 N/A ARG 218.A N LEU 235.A O no hydrogen 2.829 N/A ARG 218.A NH1 ASP 241.A OD2 no hydrogen 2.957 N/A ARG 218.A NH2 VAL 217.A O no hydrogen 3.454 N/A SER 219.A OG HIS 203.A NE2 no hydrogen 2.740 N/A SER 219.A OG HIS 207.A ND1 no hydrogen 2.725 N/A TYR 220.A N PHE 233.A O no hydrogen 2.821 N/A TYR 220.A OH THR 66.A O no hydrogen 2.720 N/A LYS 221.A N MET 272.A O no hydrogen 3.142 N/A ASN 222.A N PHE 231.A O no hydrogen 3.047 N/A ASN 222.A ND2 THR 66.A OG1 no hydrogen 2.792 N/A ASN 222.A ND2 HIS 263.A NE2 no hydrogen 3.093 N/A ILE 224.A N LEU 229.A O no hydrogen 2.941 N/A GLY 226.A N ASP 59.A OD1 no hydrogen 2.557 N/A PHE 227.A N ILE 224.A O no hydrogen 2.898 N/A PHE 228.A N ILE 224.A O no hydrogen 3.089 N/A PHE 228.A N PRO 225.A O no hydrogen 3.150 N/A PHE 231.A N ASN 222.A O no hydrogen 2.881 N/A GLY 232.A N GLY 196.A O no hydrogen 2.815 N/A PHE 233.A N TYR 220.A O no hydrogen 2.688 N/A LEU 234.A N MET 193.A O no hydrogen 3.073 N/A LEU 235.A N ARG 218.A O no hydrogen 2.952 N/A ALA 236.A N MET 191.A O no hydrogen 2.905 N/A SER 237.A N TYR 216.A O no hydrogen 2.971 N/A SER 237.A OG GLY 189.A O no hydrogen 2.790 N/A ALA 239.A N SER 237.A OG no hydrogen 3.236 N/A ALA 243.A N ASP 241.A OD1 no hydrogen 2.903 N/A ALA 244.A N ASP 241.A O no hydrogen 3.133 N/A VAL 249.A N SER 246.A O no hydrogen 3.070 N/A ALA 252.A N GLY 248.A O no hydrogen 2.981 N/A ARG 253.A N VAL 249.A O no hydrogen 3.112 N/A ARG 253.A NH1 LEU 73.A O no hydrogen 2.823 N/A ILE 254.A N ILE 250.A O no hydrogen 3.059 N/A ARG 255.A N GLU 251.A O no hydrogen 3.193 N/A GLU 256.A N ALA 252.A O no hydrogen 2.852 N/A ARG 257.A N ARG 253.A O no hydrogen 2.830 N/A ARG 257.A NH1 MET 72.A O no hydrogen 2.872 N/A ARG 257.A NH1 HIS 98.A ND1 no hydrogen 3.072 N/A ARG 257.A NH2 HIS 75.A O no hydrogen 2.734 N/A ASN 258.A N ARG 255.A O no hydrogen 3.066 N/A LEU 259.A N ILE 254.A O no hydrogen 3.295 N/A ARG 262.A N GLU 65.A OE2 no hydrogen 2.663 N/A HIS 263.A N GLU 65.A OE1 no hydrogen 2.887 N/A HIS 263.A N GLU 65.A OE2 no hydrogen 3.327 N/A LEU 264.A N GLU 65.A OE1 no hydrogen 2.813 N/A TYR 268.A N THR 265.A OG1 no hydrogen 2.923 N/A TYR 268.A OH ASN 222.A OD1 no hydrogen 2.729 N/A LEU 269.A N THR 265.A O no hydrogen 2.922 N/A GLU 270.A N ALA 266.A O no hydrogen 3.210 N/A ALA 271.A N PRO 267.A O no hydrogen 2.970 N/A MET 272.A N TYR 268.A O no hydrogen 3.157 N/A MET 272.A N LEU 269.A O no hydrogen 3.164 N/A PHE 273.A N GLU 270.A O no hydrogen 3.208 N/A VAL 274.A N ALA 271.A O no hydrogen 2.965 N/A LEU 279.A N ASP 278.A OD1 no hydrogen 2.934 N/A LEU 280.A N PRO 276.A O no hydrogen 3.057 N/A GLU 281.A N LYS 277.A O no hydrogen 3.098 N/A ALA 282.A N ASP 278.A O no hydrogen 3.105 N/A LEU 283.A N LEU 279.A O no hydrogen 2.923 N/A GLU 284.A N LEU 280.A O no hydrogen 2.858 N/A LYS 285.A N GLU 281.A O no hydrogen 2.901 N/A GLU 286.A N ALA 282.A O no hydrogen 3.204 N/A GLU 286.A N LEU 283.A O no hydrogen 3.352 N/A THR 287.A N GLU 286.A OE1 no hydrogen 3.176 N/A MET 288.A N GLU 286.A OE1 no hydrogen 2.972 N/A SER 290.A N THR 209.A OG1 no hydrogen 2.908 N/A SER 290.A OG TYR 173.A O no hydrogen 3.286 N/A THR 291.A N ASN 294.A O no hydrogen 3.345 N/A ASP 292.A N GLU 176.A OE2 no hydrogen 2.734 N/A ASN 294.A N THR 291.A OG1 no hydrogen 2.803 N/A PHE 296.A N SER 290.A OG no hydrogen 2.891 N/A TYR 297.A N ARG 305.A O no hydrogen 2.962 N/A VAL 298.A N PRO 162.A O no hydrogen 2.894 N/A THR 299.A N GLU 303.A O no hydrogen 2.865 N/A GLY 302.A N THR 299.A O no hydrogen 2.634 N/A GLU 303.A N THR 299.A OG1 no hydrogen 2.839 N/A ARG 305.A N TYR 297.A O no hydrogen 2.891 N/A ARG 305.A NH2 GLU 303.A OE1 no hydrogen 2.771 N/A GLN 306.A NE2 VAL 289.A O no hydrogen 2.593 N/A GLN 306.A NE2 ASN 294.A O no hydrogen 2.778 N/A TYR 309.A OH ASP 166.A O no hydrogen 3.273 N/A