Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8aup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 43.A O no hydrogen 2.844 N/A ARG 5.A N ALA 2.A O no hydrogen 2.928 N/A ARG 5.A NE TYR 264.A OH no hydrogen 3.062 N/A ARG 5.A NH1 GLN 42.A O no hydrogen 3.131 N/A ARG 5.A NH2 TYR 264.A OH no hydrogen 2.736 N/A THR 6.A N LYS 3.A O no hydrogen 3.256 N/A THR 6.A OG1 ALA 2.A O no hydrogen 2.777 N/A ILE 7.A N ASP 45.A O no hydrogen 2.778 N/A GLY 8.A N ILE 92.A O no hydrogen 2.830 N/A ILE 9.A N LYS 47.A O no hydrogen 2.895 N/A ILE 10.A N LEU 94.A O no hydrogen 2.774 N/A GLY 11.A N GLY 50.A O no hydrogen 2.934 N/A ALA 12.A N LEU 96.A O no hydrogen 2.745 N/A PHE 14.A N ALA 12.A O no hydrogen 2.810 N/A SER 15.A OG GLU 24.A OE1 no hydrogen 3.540 N/A LYS 16.A NZ ASP 56.A OD2 no hydrogen 3.545 N/A GLY 17.A N ASP 99.A OD2 no hydrogen 2.933 N/A GLN 18.A N SER 15.A O no hydrogen 3.182 N/A GLN 18.A NE2 ARG 20.A O no hydrogen 2.133 N/A ARG 20.A N GLN 18.A OE1 no hydrogen 3.304 N/A GLY 22.A N GLU 24.A OE1 no hydrogen 2.970 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.823 N/A GLU 25.A N GLY 22.A O no hydrogen 2.996 N/A GLY 26.A N VAL 23.A O no hydrogen 3.004 N/A THR 28.A OG1 GLU 25.A OE2 no hydrogen 3.321 N/A VAL 29.A N GLU 25.A O no hydrogen 3.167 N/A LEU 30.A N GLY 26.A O no hydrogen 3.066 N/A ARG 31.A N PRO 27.A O no hydrogen 3.095 N/A ARG 31.A NE ASP 51.A OD1 no hydrogen 3.089 N/A ARG 31.A NH1 ASP 48.A OD1 no hydrogen 3.446 N/A ARG 31.A NH1 ASP 48.A OD2 no hydrogen 2.788 N/A ARG 31.A NH2 ASP 48.A OD1 no hydrogen 3.249 N/A ARG 31.A NH2 ASP 51.A OD1 no hydrogen 2.745 N/A LYS 32.A N THR 28.A O no hydrogen 2.930 N/A ALA 33.A N VAL 29.A O no hydrogen 3.154 N/A GLY 34.A N ARG 31.A O no hydrogen 2.638 N/A GLU 37.A N GLU 37.A OE2 no hydrogen 2.811 N/A LYS 38.A N GLY 34.A O no hydrogen 2.947 N/A LEU 39.A N LEU 35.A O no hydrogen 2.961 N/A LYS 40.A N LEU 36.A O no hydrogen 2.992 N/A GLU 41.A N GLU 37.A O no hydrogen 2.830 N/A GLN 42.A N LEU 39.A O no hydrogen 3.129 N/A GLN 42.A NE2 LEU 300.A O no hydrogen 3.076 N/A GLN 42.A NE2 PHE 303.A O no hydrogen 3.095 N/A GLU 43.A N LYS 40.A O no hydrogen 3.136 N/A CYS 44.A SG GLN 42.A O no hydrogen 3.902 N/A ASP 45.A N ARG 5.A O no hydrogen 2.838 N/A LYS 47.A N ILE 7.A O no hydrogen 2.974 N/A TYR 49.A N ILE 9.A O no hydrogen 2.876 N/A GLY 50.A N ASP 48.A OD1 no hydrogen 2.914 N/A LEU 52.A N GLY 11.A O no hydrogen 2.730 N/A SER 61.A N ASN 59.A O no hydrogen 2.981 N/A PHE 63.A N VAL 66.A O no hydrogen 2.933 N/A VAL 66.A N PHE 63.A O no hydrogen 2.875 N/A LYS 67.A N GLY 137.A O no hydrogen 3.116 N/A LYS 67.A NZ ASN 138.A OD1 no hydrogen 3.201 N/A ARG 70.A N ASP 60.A OD1 no hydrogen 2.821 N/A SER 71.A N ASP 60.A OD2 no hydrogen 2.838 N/A SER 71.A OG ASP 60.A OD2 no hydrogen 2.335 N/A VAL 72.A N ASN 68.A O no hydrogen 3.149 N/A GLY 73.A N PRO 69.A O no hydrogen 2.879 N/A LYS 74.A N ARG 70.A O no hydrogen 3.111 N/A LYS 74.A NZ.A GLN 78.A OE1 no hydrogen 2.966 N/A LYS 74.A NZ.B GLU 77.A OE1 no hydrogen 3.259 N/A ALA 75.A N SER 71.A O no hydrogen 2.973 N/A SER 76.A N VAL 72.A O no hydrogen 3.117 N/A SER 76.A OG SER 101.A O no hydrogen 3.044 N/A GLU 77.A N GLY 73.A O no hydrogen 3.030 N/A GLN 78.A N LYS 74.A O no hydrogen 2.913 N/A GLN 78.A NE2 PRO 53.A O no hydrogen 3.040 N/A LEU 79.A N ALA 75.A O no hydrogen 2.949 N/A ALA 80.A N SER 76.A O no hydrogen 2.751 N/A GLY 81.A N GLU 77.A O no hydrogen 3.107 N/A LYS 82.A N GLN 78.A O no hydrogen 2.865 N/A VAL 83.A N LEU 79.A O no hydrogen 2.727 N/A ALA 84.A N ALA 80.A O no hydrogen 3.067 N/A GLU 85.A N GLY 81.A O no hydrogen 3.263 N/A VAL 86.A N LYS 82.A O no hydrogen 3.199 N/A LYS 87.A N VAL 83.A O no hydrogen 2.976 N/A LYS 87.A NZ ARG 91.A O no hydrogen 2.753 N/A LYS 87.A NZ SER 270.A O no hydrogen 3.087 N/A LYS 87.A NZ SER 270.A OG no hydrogen 2.953 N/A LYS 88.A N ALA 84.A O no hydrogen 2.833 N/A ASN 89.A N GLU 85.A O no hydrogen 3.054 N/A GLY 90.A N LYS 87.A O no hydrogen 3.080 N/A ARG 91.A N VAL 86.A O no hydrogen 3.233 N/A ARG 91.A NH1 ILE 7.A O no hydrogen 3.178 N/A ARG 91.A NH1 ASP 45.A OD1 no hydrogen 3.040 N/A ARG 91.A NH2 ASP 45.A OD1 no hydrogen 3.311 N/A ILE 92.A N THR 6.A O no hydrogen 2.838 N/A LEU 94.A N GLY 8.A O no hydrogen 2.850 N/A VAL 95.A N LEU 272.A O no hydrogen 2.869 N/A LEU 96.A N ILE 10.A O no hydrogen 2.684 N/A GLY 97.A N ILE 274.A O no hydrogen 2.884 N/A ASP 99.A N PHE 14.A O no hydrogen 3.107 N/A HIS 100.A N GLU 276.A OE2 no hydrogen 2.901 N/A HIS 100.A NE2 SER 229.A OG no hydrogen 2.811 N/A SER 101.A N ASP 99.A OD1 no hydrogen 2.839 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.647 N/A LEU 102.A N ASP 99.A O no hydrogen 3.276 N/A ALA 103.A N HIS 100.A O no hydrogen 3.066 N/A ILE 104.A N SER 101.A O no hydrogen 3.187 N/A GLY 105.A N SER 76.A OG no hydrogen 2.917 N/A GLY 105.A N LEU 102.A O no hydrogen 3.054 N/A SER 106.A N LEU 102.A O no hydrogen 3.019 N/A SER 106.A OG HIS 227.A NE2 no hydrogen 3.067 N/A SER 106.A OG ASP 273.A OD1 no hydrogen 2.732 N/A ILE 107.A N ALA 103.A O no hydrogen 3.071 N/A SER 108.A N ILE 104.A O no hydrogen 3.341 N/A SER 108.A OG ILE 104.A O no hydrogen 2.815 N/A GLY 109.A N GLY 105.A O no hydrogen 2.854 N/A HIS 110.A N SER 106.A O no hydrogen 3.065 N/A HIS 110.A NE2 SER 270.A OG no hydrogen 2.423 N/A ALA 111.A N ILE 107.A O no hydrogen 2.745 N/A ARG 112.A N SER 108.A O no hydrogen 2.943 N/A ARG 112.A N GLY 109.A O no hydrogen 3.194 N/A VAL 113.A N HIS 110.A O no hydrogen 3.199 N/A HIS 114.A N HIS 110.A O no hydrogen 2.858 N/A LEU 117.A N HIS 114.A O no hydrogen 3.289 N/A GLY 118.A N PRO 225.A O no hydrogen 2.751 N/A VAL 119.A N ASP 172.A O no hydrogen 2.876 N/A ILE 120.A N HIS 227.A O no hydrogen 2.754 N/A TRP 121.A N VAL 174.A O no hydrogen 2.873 N/A TRP 121.A NE1 ASP 123.A OD2 no hydrogen 3.143 N/A VAL 122.A N SER 229.A O no hydrogen 2.998 N/A ASP 123.A N ILE 176.A O no hydrogen 3.030 N/A ALA 124.A N ASP 233.A OD1 no hydrogen 3.373 N/A HIS 125.A N ASP 123.A OD1 no hydrogen 2.814 N/A HIS 125.A ND1 ASP 123.A OD1 no hydrogen 3.205 N/A ILE 128.A N GLU 185.A OE2 no hydrogen 3.019 N/A ASN 129.A N GLY 141.A O no hydrogen 3.301 N/A ASN 129.A ND2 ASP 182.A OD2 no hydrogen 2.850 N/A THR 130.A N THR 133.A OG1 no hydrogen 2.719 N/A THR 130.A OG1 THR 133.A OG1 no hydrogen 3.317 N/A LEU 132.A N THR 130.A OG1 no hydrogen 3.123 N/A THR 133.A N THR 130.A O no hydrogen 3.120 N/A THR 133.A N THR 130.A OG1 no hydrogen 3.081 N/A THR 133.A OG1 ASN 129.A OD1 no hydrogen 2.941 N/A THR 133.A OG1 THR 130.A O no hydrogen 3.289 N/A THR 133.A OG1 THR 130.A OG1 no hydrogen 3.317 N/A THR 134.A N THR 130.A O no hydrogen 3.182 N/A GLY 137.A N THR 134.A OG1 no hydrogen 2.717 N/A ASN 138.A N SER 136.A OG no hydrogen 3.093 N/A HIS 140.A N GLY 17.A O no hydrogen 2.769 N/A HIS 140.A ND1 GLU 276.A OE2 no hydrogen 2.968 N/A GLY 141.A N ASN 138.A O no hydrogen 3.137 N/A GLN 142.A N LEU 139.A O no hydrogen 2.926 N/A VAL 144.A N ASP 127.A O no hydrogen 3.012 N/A SER 145.A N GLN 142.A O no hydrogen 3.186 N/A SER 145.A OG ASN 129.A O no hydrogen 2.934 N/A SER 145.A OG GLN 142.A O no hydrogen 2.890 N/A PHE 146.A N PRO 143.A O no hydrogen 3.115 N/A LEU 147.A N VAL 144.A O no hydrogen 3.025 N/A LEU 148.A N VAL 144.A O no hydrogen 3.233 N/A LYS 149.A N ILE 168.A O no hydrogen 2.856 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.687 N/A LEU 151.A N LEU 148.A O no hydrogen 3.270 N/A LYS 152.A N LYS 149.A O no hydrogen 3.095 N/A LYS 154.A N LEU 151.A O no hydrogen 2.968 N/A PHE 161.A N VAL 158.A O no hydrogen 3.164 N/A TRP 163.A NE1 GLY 73.A O no hydrogen 3.122 N/A TRP 163.A NE1 GLY 160.A O no hydrogen 2.971 N/A VAL 164.A N PHE 161.A O no hydrogen 3.359 N/A CYS 167.A N LEU 147.A O no hydrogen 2.947 N/A ILE 168.A N LEU 147.A O no hydrogen 3.124 N/A ALA 170.A N GLU 150.A OE1 no hydrogen 2.945 N/A ALA 170.A N GLU 150.A OE2 no hydrogen 3.064 N/A LYS 171.A NZ ASP 172.A OD1 no hydrogen 2.675 N/A ASP 172.A N SER 169.A O no hydrogen 2.852 N/A VAL 174.A N VAL 119.A O no hydrogen 3.062 N/A TYR 175.A N LYS 195.A O no hydrogen 3.224 N/A TYR 175.A OH THR 126.A O no hydrogen 2.633 N/A ILE 176.A N TRP 121.A O no hydrogen 2.867 N/A GLY 177.A N PHE 197.A O no hydrogen 2.857 N/A ARG 179.A N ALA 124.A O no hydrogen 2.953 N/A ARG 179.A NE VAL 247.A O no hydrogen 2.945 N/A ARG 179.A NH1 GLY 177.A O no hydrogen 3.281 N/A ARG 179.A NH1 GLY 234.A O no hydrogen 2.915 N/A ARG 179.A NH2 ASP 233.A O no hydrogen 2.847 N/A ARG 179.A NH2 LEU 235.A O no hydrogen 3.174 N/A ARG 179.A NH2 VAL 247.A O no hydrogen 2.800 N/A ASP 180.A N ALA 124.A O no hydrogen 3.065 N/A ASP 182.A N GLU 185.A OE1 no hydrogen 3.026 N/A HIS 186.A N ASP 182.A O no hydrogen 2.946 N/A TYR 187.A N PRO 183.A O no hydrogen 2.966 N/A ILE 188.A N GLY 184.A O no hydrogen 2.966 N/A LEU 189.A N GLU 185.A O no hydrogen 2.645 N/A LYS 190.A N HIS 186.A O no hydrogen 2.919 N/A LYS 190.A NZ TYR 196.A OH no hydrogen 2.419 N/A THR 191.A N TYR 187.A O no hydrogen 2.736 N/A THR 191.A OG1 TYR 187.A O no hydrogen 2.796 N/A LEU 192.A N ILE 188.A O no hydrogen 2.954 N/A ILE 194.A N LEU 189.A O no hydrogen 3.414 N/A LYS 195.A NZ GLU 213.A OE2 no hydrogen 2.508 N/A PHE 197.A N TYR 175.A O no hydrogen 2.731 N/A SER 198.A N GLU 201.A OE1 no hydrogen 2.843 N/A SER 198.A OG GLU 201.A OE1 no hydrogen 2.754 N/A MET 199.A N LEU 178.A O no hydrogen 2.940 N/A THR 200.A N SER 198.A OG no hydrogen 3.071 N/A VAL 202.A N SER 198.A O no hydrogen 2.911 N/A ASP 203.A N MET 199.A O no hydrogen 2.778 N/A ARG 204.A N THR 200.A O no hydrogen 2.866 N/A ARG 204.A NH1 GLU 201.A OE2 no hydrogen 3.205 N/A LEU 205.A N GLU 201.A O no hydrogen 2.755 N/A GLY 206.A N VAL 202.A O no hydrogen 2.823 N/A VAL 210.A N GLY 206.A O no hydrogen 3.132 N/A MET 211.A N ILE 207.A O no hydrogen 3.054 N/A GLU 212.A N GLY 208.A O no hydrogen 3.023 N/A GLU 213.A N LYS 209.A O no hydrogen 2.940 N/A THR 214.A N VAL 210.A O no hydrogen 2.850 N/A THR 214.A OG1 VAL 210.A O no hydrogen 2.685 N/A LEU 215.A N MET 211.A O no hydrogen 2.919 N/A SER 216.A N GLU 212.A O no hydrogen 3.034 N/A TYR 217.A N GLU 213.A O no hydrogen 2.959 N/A TYR 217.A OH LYS 171.A O no hydrogen 3.395 N/A LEU 218.A N THR 214.A O no hydrogen 3.149 N/A LEU 219.A N LEU 215.A O no hydrogen 2.812 N/A LYS 222.A NZ LYS 223.A O no hydrogen 3.055 N/A ARG 224.A NE LEU 218.A O no hydrogen 2.580 N/A ARG 224.A NH1 ASP 172.A OD1 no hydrogen 2.557 N/A ARG 224.A NH2 ASP 172.A OD1 no hydrogen 3.232 N/A ARG 224.A NH2 LEU 218.A O no hydrogen 2.909 N/A ILE 226.A N LEU 268.A O no hydrogen 2.977 N/A HIS 227.A N GLY 118.A O no hydrogen 2.733 N/A HIS 227.A NE2 SER 106.A OG no hydrogen 3.067 N/A LEU 228.A N GLY 271.A O no hydrogen 2.832 N/A SER 229.A N ILE 120.A O no hydrogen 2.836 N/A SER 229.A OG HIS 100.A NE2 no hydrogen 2.811 N/A SER 229.A OG ASP 273.A OD2 no hydrogen 2.739 N/A PHE 230.A N ASP 273.A O no hydrogen 2.872 N/A ASP 231.A N VAL 122.A O no hydrogen 2.908 N/A VAL 232.A N MET 275.A O no hydrogen 3.137 N/A ASP 233.A N ASP 231.A OD1 no hydrogen 3.057 N/A GLY 234.A N ASP 231.A O no hydrogen 2.888 N/A LEU 235.A N VAL 232.A O no hydrogen 3.230 N/A ASP 236.A N LEU 251.A O no hydrogen 2.860 N/A SER 238.A N ASP 236.A OD2 no hydrogen 3.089 N/A SER 238.A OG ASP 236.A OD2 no hydrogen 2.580 N/A PHE 239.A N ASP 236.A O no hydrogen 2.805 N/A THR 240.A N ASP 236.A O no hydrogen 3.194 N/A THR 240.A OG1 VAL 232.A O no hydrogen 3.202 N/A THR 240.A OG1 ASP 236.A O no hydrogen 3.490 N/A ALA 242.A N THR 291.A OG1 no hydrogen 2.982 N/A THR 243.A N PRO 241.A O no hydrogen 2.962 N/A THR 243.A OG1 GLU 276.A O no hydrogen 2.725 N/A GLY 250.A N ASP 236.A OD1 no hydrogen 2.847 N/A LEU 251.A N GLY 234.A O no hydrogen 3.200 N/A THR 252.A N GLU 255.A OE1 no hydrogen 2.898 N/A GLU 255.A N THR 252.A OG1 no hydrogen 2.896 N/A GLY 256.A N THR 252.A O no hydrogen 2.904 N/A LEU 257.A N TYR 253.A O no hydrogen 3.011 N/A TYR 258.A N ARG 254.A O no hydrogen 2.793 N/A ILE 259.A N GLU 255.A O no hydrogen 2.969 N/A THR 260.A N GLY 256.A O no hydrogen 3.140 N/A THR 260.A OG1 GLY 256.A O no hydrogen 2.727 N/A THR 260.A OG1 LEU 257.A O no hydrogen 2.826 N/A GLU 261.A N LEU 257.A O no hydrogen 2.602 N/A GLU 262.A N TYR 258.A O no hydrogen 2.853 N/A ILE 263.A N ILE 259.A O no hydrogen 2.986 N/A TYR 264.A N THR 260.A O no hydrogen 3.110 N/A LYS 265.A N GLU 261.A O no hydrogen 3.306 N/A LYS 265.A NZ GLU 262.A OE2 no hydrogen 3.090 N/A THR 266.A OG1 ILE 263.A O no hydrogen 2.912 N/A GLY 267.A N TYR 264.A O no hydrogen 2.738 N/A LEU 268.A N THR 266.A OG1 no hydrogen 3.120 N/A SER 270.A N ILE 226.A O no hydrogen 2.916 N/A SER 270.A OG HIS 110.A NE2 no hydrogen 2.423 N/A GLY 271.A N ILE 226.A O no hydrogen 3.339 N/A LEU 272.A N SER 93.A O no hydrogen 2.784 N/A ASP 273.A N LEU 228.A O no hydrogen 2.883 N/A ILE 274.A N VAL 95.A O no hydrogen 3.017 N/A MET 275.A N PHE 230.A O no hydrogen 3.038 N/A GLU 276.A N GLY 98.A O no hydrogen 2.898 N/A ASN 278.A N ALA 242.A O no hydrogen 2.949 N/A ASN 278.A ND2 ARG 20.A O no hydrogen 3.588 N/A ASN 278.A ND2 GLY 21.A O no hydrogen 3.063 N/A SER 280.A N ASN 278.A OD1 no hydrogen 3.086 N/A SER 280.A OG GLY 21.A O no hydrogen 2.981 N/A SER 280.A OG ASN 278.A OD1 no hydrogen 2.713 N/A LEU 281.A N ASN 278.A O no hydrogen 3.100 N/A LYS 283.A N GLU 287.A OE1 no hydrogen 2.895 N/A GLU 287.A N THR 284.A OG1 no hydrogen 3.121 N/A THR 289.A N PRO 285.A O no hydrogen 3.081 N/A ARG 290.A N GLU 286.A O no hydrogen 2.619 N/A ARG 290.A NE GLU 286.A OE2 no hydrogen 3.070 N/A ARG 290.A NH1 SER 238.A O no hydrogen 3.002 N/A ARG 290.A NH2 GLU 286.A OE1 no hydrogen 2.533 N/A ARG 290.A NH2 GLU 286.A OE2 no hydrogen 3.357 N/A THR 291.A N GLU 287.A O no hydrogen 3.052 N/A THR 291.A OG1 GLU 287.A O no hydrogen 2.692 N/A VAL 292.A N VAL 288.A O no hydrogen 2.943 N/A ASN 293.A N THR 289.A O no hydrogen 2.994 N/A THR 294.A N ARG 290.A O no hydrogen 2.974 N/A THR 294.A OG1 PHE 239.A O no hydrogen 2.992 N/A THR 294.A OG1 ARG 290.A O no hydrogen 2.729 N/A ALA 295.A N THR 291.A O no hydrogen 2.911 N/A VAL 296.A N VAL 292.A O no hydrogen 2.635 N/A ALA 297.A N ASN 293.A O no hydrogen 2.970 N/A ILE 298.A N THR 294.A O no hydrogen 3.032 N/A THR 299.A N ALA 295.A O no hydrogen 3.097 N/A THR 299.A OG1 ALA 295.A O no hydrogen 2.735 N/A LEU 300.A N VAL 296.A O no hydrogen 2.926 N/A ALA 301.A N ALA 297.A O no hydrogen 3.042 N/A CYS 302.A N ILE 298.A O no hydrogen 3.249 N/A CYS 302.A SG ILE 298.A O no hydrogen 3.422 N/A PHE 303.A N LEU 300.A O no hydrogen 3.162 N/A GLY 304.A N ALA 301.A O no hydrogen 3.491 N/A LEU 305.A N LEU 300.A O no hydrogen 3.036 N/A ALA 306.A N ASN 310.A OD1 no hydrogen 3.051 N/A ARG 307.A N GLU 261.A OE2 no hydrogen 3.076 N/A ARG 307.A NE GLU 261.A OE1 no hydrogen 3.211 N/A ARG 307.A NE GLU 261.A OE2 no hydrogen 3.037 N/A ARG 307.A NH2 ARG 254.A O no hydrogen 3.505 N/A ARG 307.A NH2 GLU 261.A OE1 no hydrogen 2.845 N/A GLY 309.A N ALA 306.A O no hydrogen 2.936 N/A ASN 310.A ND2 GLY 304.A O no hydrogen 2.924 N/A HIS 311.A ND1 LYS 312.A O no hydrogen 2.913 N/A LYS 312.A N TYR 315.A OH no hydrogen 3.058 N/A ILE 314.A N LYS 312.A O no hydrogen 2.553 N/A