Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d96_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N MET 1.A O no hydrogen 3.154 N/A HIS 4.A ND1 MET 1.A O no hydrogen 2.876 N/A LEU 6.A N LEU 3.A O no hydrogen 3.024 N/A THR 7.A N HIS 4.A O no hydrogen 3.330 N/A THR 7.A OG1 HIS 4.A O no hydrogen 2.733 N/A ARG 8.A N HIS 5.A O no hydrogen 3.092 N/A PHE 9.A N LEU 6.A O no hydrogen 3.171 N/A ARG 11.A NH1 LEU 12.A O no hydrogen 3.368 N/A LEU 12.A N GLU 56.A O no hydrogen 2.864 N/A PHE 14.A N GLU 56.A OE2 no hydrogen 2.800 N/A ILE 15.A N GLU 56.A OE2 no hydrogen 3.413 N/A THR 19.A N GLU 175.A OE2 no hydrogen 3.175 N/A THR 19.A OG1 ASP 40.A OD1 no hydrogen 2.666 N/A GLU 22.A N ILE 37.A O no hydrogen 2.919 N/A LEU 24.A N ILE 35.A O no hydrogen 2.961 N/A ARG 26.A N GLU 279.A OE1 no hydrogen 2.704 N/A ARG 26.A NE LEU 278.A O no hydrogen 3.059 N/A ARG 26.A NH2 SER 277.A O no hydrogen 3.240 N/A LEU 27.A N GLU 279.A OE1 no hydrogen 2.938 N/A SER 28.A N LEU 24.A O no hydrogen 2.941 N/A SER 28.A OG LEU 24.A O no hydrogen 2.766 N/A ASP 29.A N PRO 25.A O no hydrogen 3.149 N/A TYR 30.A N ARG 26.A O no hydrogen 3.134 N/A LEU 31.A N LEU 27.A O no hydrogen 2.874 N/A GLY 32.A N SER 28.A O no hydrogen 2.915 N/A ARG 33.A N SER 28.A O no hydrogen 3.311 N/A ILE 35.A N SER 28.A OG no hydrogen 2.824 N/A TYR 36.A N ILE 310.A O no hydrogen 2.859 N/A ILE 37.A N GLU 22.A O no hydrogen 2.842 N/A LYS 38.A N PHE 312.A O no hydrogen 2.831 N/A LYS 38.A NZ THR 19.A O no hydrogen 2.597 N/A LYS 38.A NZ THR 19.A OG1 no hydrogen 2.935 N/A LYS 38.A NZ GLU 175.A OE2 no hydrogen 2.878 N/A LYS 38.A NZ GLN 179.A OE1 no hydrogen 2.846 N/A ARG 39.A N PRO 20.A O no hydrogen 2.836 N/A ARG 39.A NE ASP 41.A OD1 no hydrogen 2.795 N/A ARG 39.A NE ASP 41.A OD2 no hydrogen 3.432 N/A ARG 39.A NH1 ASP 41.A OD2 no hydrogen 2.972 N/A ARG 39.A NH2 GLU 22.A OE1 no hydrogen 2.959 N/A ASP 40.A N LYS 38.A O no hydrogen 3.113 N/A VAL 42.A N ARG 39.A O no hydrogen 3.267 N/A THR 43.A OG1 ASP 40.A O no hydrogen 3.379 N/A THR 43.A OG1 GLY 49.A O no hydrogen 3.142 N/A GLY 48.A N ILE 45.A O no hydrogen 2.707 N/A GLY 49.A N ASP 40.A O no hydrogen 3.162 N/A GLY 49.A N THR 43.A OG1 no hydrogen 2.848 N/A ASN 50.A N THR 315.A O no hydrogen 2.952 N/A ASN 50.A ND2 THR 198.A OG1 no hydrogen 2.964 N/A LYS 51.A NZ GLY 159.A O no hydrogen 2.688 N/A ARG 53.A NE ASP 40.A OD2 no hydrogen 2.816 N/A ARG 53.A NH1 ASP 40.A OD1 no hydrogen 2.824 N/A ARG 53.A NH1 ASP 40.A OD2 no hydrogen 3.431 N/A ARG 53.A NH1 GLU 175.A OE1 no hydrogen 3.529 N/A ARG 53.A NH1 GLU 175.A OE2 no hydrogen 2.990 N/A ARG 53.A NH2 GLU 175.A OE1 no hydrogen 2.872 N/A LYS 54.A NZ THR 198.A OG1 no hydrogen 2.752 N/A LEU 55.A N LYS 51.A O no hydrogen 2.874 N/A GLU 56.A N LEU 52.A O no hydrogen 3.069 N/A PHE 57.A N LYS 54.A O no hydrogen 3.173 N/A LEU 58.A N LYS 54.A O no hydrogen 3.025 N/A VAL 59.A N LEU 55.A O no hydrogen 2.769 N/A ASP 61.A N PHE 57.A O no hydrogen 3.035 N/A ALA 62.A N LEU 58.A O no hydrogen 2.800 N/A LEU 63.A N VAL 59.A O no hydrogen 2.948 N/A ARG 64.A N ALA 60.A O no hydrogen 3.275 N/A GLU 65.A N ASP 61.A O no hydrogen 3.206 N/A GLU 65.A N ALA 62.A O no hydrogen 3.136 N/A GLY 66.A N LEU 63.A O no hydrogen 2.942 N/A ALA 67.A N ALA 62.A O no hydrogen 3.109 N/A ASP 68.A N ARG 152.A O no hydrogen 2.641 N/A THR 69.A N ARG 152.A O no hydrogen 3.263 N/A THR 69.A OG1 ASP 68.A OD1 no hydrogen 2.930 N/A LEU 70.A N HIS 94.A O no hydrogen 2.710 N/A ILE 71.A N TYR 154.A O no hydrogen 3.021 N/A THR 72.A N VAL 96.A O no hydrogen 3.150 N/A THR 72.A OG1 HIS 80.A NE2 no hydrogen 2.713 N/A THR 72.A OG1 ILE 156.A O no hydrogen 2.891 N/A THR 72.A OG1 PRO 157.A O no hydrogen 3.466 N/A GLY 74.A N LEU 98.A O no hydrogen 3.109 N/A ILE 76.A N GLU 100.A O no hydrogen 2.775 N/A GLN 77.A NE2 TYR 110.A O no hydrogen 2.638 N/A GLN 77.A NE2 ASN 113.A O no hydrogen 2.865 N/A SER 78.A N ALA 75.A O no hydrogen 3.037 N/A HIS 80.A NE2 THR 72.A OG1 no hydrogen 2.713 N/A VAL 81.A N SER 78.A OG no hydrogen 3.072 N/A ARG 82.A N SER 78.A O no hydrogen 3.470 N/A ARG 82.A NE ASN 115.A OD1 no hydrogen 2.690 N/A ARG 82.A NH1 ALA 46.A O no hydrogen 2.939 N/A ARG 82.A NH1 GLY 48.A O no hydrogen 2.769 N/A ARG 82.A NH2 ASN 79.A OD1 no hydrogen 3.053 N/A ARG 82.A NH2 ASN 115.A OD1 no hydrogen 3.416 N/A GLN 83.A N ASN 79.A O no hydrogen 2.836 N/A THR 84.A N HIS 80.A O no hydrogen 2.748 N/A THR 84.A OG1 HIS 80.A O no hydrogen 2.881 N/A ALA 85.A N VAL 81.A O no hydrogen 2.721 N/A ALA 86.A N ARG 82.A O no hydrogen 2.989 N/A VAL 87.A N GLN 83.A O no hydrogen 3.033 N/A ALA 88.A N THR 84.A O no hydrogen 2.919 N/A ALA 89.A N ALA 85.A O no hydrogen 3.104 N/A LYS 90.A N ALA 86.A O no hydrogen 3.044 N/A LEU 91.A N VAL 87.A O no hydrogen 3.152 N/A LEU 91.A N ALA 88.A O no hydrogen 3.243 N/A GLY 92.A N ALA 89.A O no hydrogen 2.985 N/A LEU 93.A N ALA 88.A O no hydrogen 2.784 N/A HIS 94.A N ASP 68.A O no hydrogen 2.844 N/A CYS 95.A SG LEU 70.A O no hydrogen 3.695 N/A VAL 96.A N LEU 70.A O no hydrogen 2.854 N/A ALA 97.A N GLN 125.A O no hydrogen 2.926 N/A LEU 98.A N THR 72.A O no hydrogen 2.873 N/A LEU 99.A N GLU 127.A O no hydrogen 2.820 N/A GLU 100.A N GLY 74.A O no hydrogen 3.023 N/A ASN 101.A ND2 THR 105.A O no hydrogen 2.968 N/A ILE 103.A N ASN 101.A OD1 no hydrogen 3.208 N/A ALA 107.A N THR 105.A OG1 no hydrogen 2.916 N/A ASN 109.A ND2 HIS 325.A O no hydrogen 2.698 N/A LEU 111.A N ALA 107.A O no hydrogen 3.069 N/A THR 112.A N GLU 108.A O no hydrogen 2.756 N/A THR 112.A OG1 GLU 108.A O no hydrogen 2.383 N/A ASN 113.A N ASN 109.A O no hydrogen 2.854 N/A ASN 113.A ND2 ASN 109.A OD1 no hydrogen 3.150 N/A GLY 114.A N ASN 113.A OD1 no hydrogen 2.757 N/A ASN 115.A N GLN 77.A OE1 no hydrogen 2.727 N/A ASN 115.A ND2 GLN 77.A O no hydrogen 2.945 N/A ASN 115.A ND2 ASN 79.A OD1 no hydrogen 2.728 N/A ARG 116.A NH1 ARG 116.A O no hydrogen 2.960 N/A ARG 116.A NH1 ASP 120.A OD1 no hydrogen 3.112 N/A ARG 116.A NH1 ASP 120.A OD2 no hydrogen 2.954 N/A LEU 117.A N ASN 113.A O no hydrogen 3.438 N/A LEU 118.A N GLY 114.A O no hydrogen 3.434 N/A LEU 119.A N ASN 115.A O no hydrogen 3.317 N/A ASP 120.A N LEU 117.A O no hydrogen 3.155 N/A PHE 122.A N LEU 118.A O no hydrogen 3.082 N/A ASN 123.A N ASP 120.A O no hydrogen 3.149 N/A THR 124.A N LEU 119.A O no hydrogen 3.041 N/A THR 124.A OG1 LEU 119.A O no hydrogen 2.904 N/A GLN 125.A N CYS 95.A O no hydrogen 3.127 N/A GLU 127.A N ALA 97.A O no hydrogen 2.793 N/A CYS 129.A N LEU 99.A O no hydrogen 2.987 N/A CYS 129.A SG LEU 99.A O no hydrogen 3.643 N/A CYS 129.A SG GLN 138.A OE1 no hydrogen 4.039 N/A LEU 132.A N GLU 100.A OE1 no hydrogen 2.973 N/A ALA 137.A N ASP 134.A OD1 no hydrogen 3.334 N/A GLN 138.A N ASP 134.A O no hydrogen 2.878 N/A LEU 139.A N PRO 135.A O no hydrogen 2.848 N/A GLN 140.A N ASP 136.A O no hydrogen 3.156 N/A THR 141.A N ALA 137.A O no hydrogen 2.907 N/A THR 141.A OG1 ALA 137.A O no hydrogen 3.381 N/A LEU 142.A N GLN 138.A O no hydrogen 3.013 N/A ALA 143.A N LEU 139.A O no hydrogen 2.864 N/A THR 144.A N GLN 140.A O no hydrogen 3.057 N/A THR 144.A OG1 GLN 140.A O no hydrogen 2.863 N/A THR 144.A OG1 GLN 140.A OE1 no hydrogen 3.548 N/A ARG 145.A N THR 141.A O no hydrogen 3.412 N/A ARG 145.A NH2 GLU 127.A OE2 no hydrogen 2.698 N/A ILE 146.A N LEU 142.A O no hydrogen 2.956 N/A GLU 147.A N ALA 143.A O no hydrogen 2.699 N/A ALA 148.A N THR 144.A O no hydrogen 2.955 N/A GLN 149.A N ILE 146.A O no hydrogen 3.185 N/A GLY 150.A N GLU 147.A O no hydrogen 2.895 N/A ARG 152.A N ASP 68.A OD1 no hydrogen 2.800 N/A TYR 154.A N THR 69.A O no hydrogen 2.862 N/A TYR 154.A OH ASP 61.A OD1 no hydrogen 2.670 N/A ILE 156.A N ILE 71.A O no hydrogen 2.776 N/A GLY 160.A N PRO 157.A O no hydrogen 2.894 N/A SER 161.A N VAL 158.A O no hydrogen 3.366 N/A SER 161.A OG GLY 159.A O no hydrogen 3.288 N/A SER 161.A OG SER 195.A OG no hydrogen 2.513 N/A SER 162.A N GLY 160.A O no hydrogen 2.956 N/A GLY 165.A N SER 162.A OG no hydrogen 3.412 N/A ALA 166.A N SER 162.A O no hydrogen 2.882 N/A MET 167.A N LEU 164.A O no hydrogen 3.144 N/A GLY 168.A N GLY 165.A O no hydrogen 3.160 N/A TYR 169.A N ALA 166.A O no hydrogen 2.855 N/A TYR 169.A OH ASP 40.A OD2 no hydrogen 2.512 N/A VAL 170.A N ALA 166.A O no hydrogen 3.277 N/A GLU 171.A N MET 167.A O no hydrogen 3.013 N/A SER 172.A N GLY 168.A O no hydrogen 2.993 N/A ALA 173.A N TYR 169.A O no hydrogen 3.203 N/A LEU 174.A N GLU 171.A O no hydrogen 3.074 N/A GLU 175.A N GLU 171.A O no hydrogen 3.150 N/A ILE 176.A N SER 172.A O no hydrogen 2.828 N/A ALA 177.A N ALA 173.A O no hydrogen 2.942 N/A GLN 178.A N LEU 174.A O no hydrogen 3.095 N/A GLN 179.A N GLU 175.A O no hydrogen 2.860 N/A GLN 179.A NE2 THR 19.A O no hydrogen 2.763 N/A CYS 180.A N ILE 176.A O no hydrogen 2.997 N/A CYS 180.A SG ILE 176.A O no hydrogen 3.280 N/A GLU 181.A N GLN 178.A O no hydrogen 3.447 N/A VAL 183.A N CYS 180.A O no hydrogen 3.299 N/A VAL 184.A N CYS 180.A O no hydrogen 3.139 N/A SER 187.A N PRO 309.A O no hydrogen 2.786 N/A SER 187.A OG ASP 306.A OD1 no hydrogen 3.415 N/A SER 187.A OG ASP 306.A OD2 no hydrogen 2.699 N/A SER 188.A N PRO 309.A O no hydrogen 3.071 N/A VAL 189.A N GLU 214.A O no hydrogen 2.826 N/A VAL 190.A N LEU 311.A O no hydrogen 2.743 N/A VAL 191.A N ILE 216.A O no hydrogen 3.099 N/A SER 193.A N VAL 218.A O no hydrogen 2.820 N/A SER 193.A OG HIS 199.A ND1 no hydrogen 2.956 N/A SER 195.A OG SER 161.A OG no hydrogen 2.513 N/A GLY 197.A N SER 161.A OG no hydrogen 2.997 N/A HIS 199.A ND1 SER 193.A OG no hydrogen 2.956 N/A ALA 200.A N ALA 196.A O no hydrogen 2.961 N/A GLY 201.A N GLY 197.A O no hydrogen 2.872 N/A LEU 202.A N THR 198.A O no hydrogen 3.054 N/A ALA 203.A N HIS 199.A O no hydrogen 2.766 N/A VAL 204.A N ALA 200.A O no hydrogen 3.155 N/A GLY 205.A N GLY 201.A O no hydrogen 3.022 N/A LEU 206.A N LEU 202.A O no hydrogen 2.820 N/A GLU 207.A N ALA 203.A O no hydrogen 3.127 N/A HIS 208.A N VAL 204.A O no hydrogen 3.282 N/A HIS 208.A NE2 THR 245.A O no hydrogen 2.761 N/A LEU 209.A N GLY 205.A O no hydrogen 2.792 N/A MET 210.A N LEU 206.A O no hydrogen 2.699 N/A VAL 213.A N MET 210.A O no hydrogen 3.121 N/A GLU 214.A N SER 187.A O no hydrogen 2.883 N/A ILE 216.A N VAL 189.A O no hydrogen 2.774 N/A GLY 217.A N HIS 251.A O no hydrogen 2.997 N/A VAL 218.A N VAL 191.A O no hydrogen 2.931 N/A THR 219.A N TRP 253.A O no hydrogen 2.918 N/A THR 219.A OG1 ARG 222.A O no hydrogen 2.777 N/A THR 219.A OG1 TRP 253.A O no hydrogen 3.397 N/A VAL 220.A N SER 193.A O no hydrogen 3.378 N/A ARG 222.A NH1 GLY 194.A O no hydrogen 3.078 N/A ARG 222.A NH1 GLN 227.A OE1 no hydrogen 2.832 N/A VAL 224.A N ASP 254.A OD2 no hydrogen 2.959 N/A GLU 226.A N SER 223.A OG no hydrogen 3.137 N/A GLN 227.A N SER 223.A O no hydrogen 2.873 N/A GLN 227.A NE2 SER 193.A OG no hydrogen 3.092 N/A GLN 227.A NE2 GLY 194.A O no hydrogen 2.991 N/A LYS 228.A N VAL 224.A O no hydrogen 2.817 N/A LYS 228.A NZ ASP 249.A OD2 no hydrogen 3.042 N/A LYS 228.A NZ ILE 250.A O no hydrogen 2.934 N/A VAL 231.A N GLN 227.A O no hydrogen 3.171 N/A ILE 232.A N LYS 228.A O no hydrogen 2.931 N/A ALA 233.A N PRO 229.A O no hydrogen 3.192 N/A GLN 235.A N VAL 231.A O no hydrogen 2.980 N/A GLN 235.A NE2 ALA 248.A O no hydrogen 3.164 N/A GLN 236.A N ILE 232.A O no hydrogen 2.909 N/A GLN 236.A NE2 GLN 235.A OE1 no hydrogen 2.900 N/A GLN 236.A NE2 ALA 246.A O no hydrogen 3.089 N/A ALA 237.A N ALA 233.A O no hydrogen 2.939 N/A ILE 238.A N LEU 234.A O no hydrogen 2.616 N/A ALA 239.A N GLN 235.A O no hydrogen 2.889 N/A GLY 240.A N GLN 236.A O no hydrogen 3.075 N/A GLN 241.A N ALA 237.A O no hydrogen 3.124 N/A LEU 242.A N ILE 238.A O no hydrogen 3.200 N/A LEU 242.A N ALA 239.A O no hydrogen 3.020 N/A ALA 243.A N GLY 240.A O no hydrogen 3.237 N/A LEU 244.A N ALA 239.A O no hydrogen 2.986 N/A THR 247.A N GLU 207.A OE2 no hydrogen 2.759 N/A THR 247.A OG1 GLU 207.A OE2 no hydrogen 3.287 N/A ALA 248.A N GLU 207.A OE1 no hydrogen 3.163 N/A TRP 253.A N GLY 217.A O no hydrogen 2.888 N/A TYR 256.A OH ASP 297.A OD2 no hydrogen 2.474 N/A GLY 260.A N PHE 257.A O no hydrogen 2.959 N/A TYR 261.A OH TYR 287.A OH no hydrogen 2.275 N/A VAL 263.A N GLY 260.A O no hydrogen 3.105 N/A ASN 265.A ND2 TYR 256.A O no hydrogen 3.026 N/A ASN 265.A ND2 ALA 258.A O no hydrogen 2.627 N/A GLY 268.A N ASN 265.A OD1 no hydrogen 2.995 N/A MET 269.A N ASN 265.A O no hydrogen 2.952 N/A GLU 270.A N ASP 266.A O no hydrogen 2.931 N/A ALA 271.A N ALA 267.A O no hydrogen 3.050 N/A VAL 272.A N GLY 268.A O no hydrogen 3.019 N/A LYS 273.A N MET 269.A O no hydrogen 3.017 N/A LEU 274.A N GLU 270.A O no hydrogen 2.964 N/A LEU 275.A N ALA 271.A O no hydrogen 3.026 N/A ALA 276.A N VAL 272.A O no hydrogen 3.047 N/A SER 277.A N LYS 273.A O no hydrogen 2.983 N/A SER 277.A OG LYS 273.A O no hydrogen 2.584 N/A SER 277.A OG LEU 274.A O no hydrogen 3.382 N/A LEU 278.A N LEU 274.A O no hydrogen 2.951 N/A GLU 279.A N LEU 275.A O no hydrogen 2.936 N/A GLY 280.A N ALA 276.A O no hydrogen 3.008 N/A VAL 281.A N LEU 275.A O no hydrogen 3.276 N/A ASP 284.A N THR 288.A OG1 no hydrogen 2.850 N/A VAL 286.A N ASP 284.A OD2 no hydrogen 2.786 N/A TYR 287.A N ASP 284.A OD2 no hydrogen 2.785 N/A THR 288.A N ASP 284.A OD1 no hydrogen 2.709 N/A THR 288.A OG1 ASP 284.A OD1 no hydrogen 2.624 N/A THR 288.A OG1 GLY 316.A O no hydrogen 3.507 N/A GLY 289.A N ASP 284.A O no hydrogen 2.856 N/A LYS 290.A NZ PHE 257.A O no hydrogen 2.973 N/A LYS 290.A NZ VAL 263.A O no hydrogen 2.737 N/A ALA 291.A N TYR 287.A O no hydrogen 2.934 N/A MET 292.A N THR 288.A O no hydrogen 2.809 N/A ALA 293.A N GLY 289.A O no hydrogen 3.020 N/A GLY 294.A N LYS 290.A O no hydrogen 3.124 N/A LEU 295.A N ALA 291.A O no hydrogen 3.088 N/A ILE 296.A N MET 292.A O no hydrogen 2.942 N/A ASP 297.A N ALA 293.A O no hydrogen 3.018 N/A GLY 298.A N GLY 294.A O no hydrogen 2.848 N/A ILE 299.A N LEU 295.A O no hydrogen 2.921 N/A SER 300.A N ILE 296.A O no hydrogen 2.920 N/A GLN 301.A N ASP 297.A O no hydrogen 2.692 N/A GLN 301.A NE2 ASP 297.A OD1 no hydrogen 3.117 N/A GLN 301.A NE2 ASP 297.A OD2 no hydrogen 3.453 N/A LYS 302.A N ILE 299.A O no hydrogen 3.302 N/A LYS 302.A NZ ASP 307.A OD1 no hydrogen 3.474 N/A ARG 303.A N GLY 298.A O no hydrogen 2.970 N/A ARG 303.A NH1 ASP 255.A OD2 no hydrogen 2.888 N/A ARG 303.A NH1 TYR 256.A OH no hydrogen 3.227 N/A ASN 305.A N GLU 214.A OE1 no hydrogen 2.992 N/A ASN 305.A ND2 SER 187.A O no hydrogen 3.305 N/A ASN 305.A ND2 SER 187.A OG no hydrogen 2.977 N/A ASN 305.A ND2 GLU 214.A OE1 no hydrogen 3.206 N/A GLY 308.A N ASP 306.A OD2 no hydrogen 2.642 N/A ILE 310.A N GLU 34.A O no hydrogen 2.987 N/A LEU 311.A N SER 188.A O no hydrogen 2.790 N/A PHE 312.A N TYR 36.A O no hydrogen 2.921 N/A ILE 313.A N VAL 190.A O no hydrogen 2.913 N/A HIS 314.A N LYS 38.A O no hydrogen 2.752 N/A ALA 320.A N GLY 317.A O no hydrogen 3.070 N/A LEU 321.A N ALA 318.A O no hydrogen 2.877 N/A PHE 322.A N PRO 319.A O no hydrogen 3.301 N/A ALA 323.A N ALA 320.A O no hydrogen 3.109 N/A TYR 324.A N ALA 320.A O no hydrogen 2.999 N/A TYR 324.A OH GLY 262.A O no hydrogen 2.604 N/A HIS 325.A N LEU 321.A O no hydrogen 3.209 N/A