Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASP 8.A OD2 no hydrogen 3.078 N/A LEU 7.A N SER 5.A OG no hydrogen 3.113 N/A ASP 8.A N SER 5.A O no hydrogen 2.986 N/A THR 9.A N ILE 6.A O no hydrogen 3.142 N/A THR 9.A OG1 ILE 6.A O no hydrogen 2.738 N/A ILE 10.A N LEU 7.A O no hydrogen 3.416 N/A GLY 11.A N ASN 36.A OD1 no hydrogen 2.764 N/A ARG 12.A N GLU 158.A OE2 no hydrogen 2.903 N/A ARG 12.A NH2 ASP 8.A O no hydrogen 2.893 N/A THR 13.A N GLU 158.A OE1 no hydrogen 3.247 N/A THR 13.A OG1 GLU 33.A OE1 no hydrogen 2.711 N/A VAL 16.A N VAL 30.A O no hydrogen 2.976 N/A LEU 18.A N VAL 28.A O no hydrogen 2.806 N/A GLN 19.A N GLU 257.A OE1 no hydrogen 2.690 N/A ARG 20.A N GLU 257.A OE2 no hydrogen 2.664 N/A ARG 20.A NH1 GLU 256.A O no hydrogen 2.730 N/A MET 21.A N GLU 257.A OE2 no hydrogen 2.765 N/A THR 26.A N PRO 23.A O no hydrogen 2.855 N/A THR 26.A OG1 PRO 23.A O no hydrogen 3.031 N/A SER 27.A N THR 283.A O no hydrogen 3.089 N/A TYR 29.A N LEU 285.A O no hydrogen 2.751 N/A VAL 30.A N VAL 16.A O no hydrogen 2.819 N/A LYS 31.A N ALA 287.A O no hydrogen 2.884 N/A LYS 31.A NZ THR 13.A OG1 no hydrogen 2.966 N/A LYS 31.A NZ GLU 158.A OE1 no hydrogen 2.734 N/A VAL 32.A N PRO 14.A O no hydrogen 3.064 N/A GLU 33.A N LEU 289.A O no hydrogen 3.083 N/A PHE 35.A N VAL 32.A O no hydrogen 3.346 N/A ASN 36.A N GLU 33.A O no hydrogen 3.114 N/A ASN 36.A ND2 GLU 33.A O no hydrogen 3.211 N/A ASN 36.A ND2 GLU 33.A OE2 no hydrogen 2.955 N/A ASN 36.A ND2 SER 40.A O no hydrogen 3.124 N/A GLY 38.A N ASP 43.A OD1 no hydrogen 2.514 N/A GLY 39.A N ASN 36.A O no hydrogen 2.795 N/A VAL 41.A N PRO 290.A O no hydrogen 2.823 N/A ALA 42.A N SER 40.A OG no hydrogen 3.124 N/A ASP 43.A N SER 40.A O no hydrogen 3.243 N/A ARG 44.A N VAL 41.A O no hydrogen 3.050 N/A ARG 44.A NE GLU 33.A OE2 no hydrogen 2.741 N/A ARG 44.A NH1 THR 154.A OG1 no hydrogen 3.037 N/A ARG 44.A NH1 GLU 158.A OE2 no hydrogen 3.031 N/A ARG 44.A NH2 GLU 33.A OE1 no hydrogen 3.103 N/A ARG 44.A NH2 GLU 33.A OE2 no hydrogen 3.170 N/A ARG 44.A NH2 GLU 158.A OE1 no hydrogen 2.996 N/A ALA 46.A N ALA 42.A O no hydrogen 3.014 N/A LEU 47.A N ASP 43.A O no hydrogen 3.127 N/A SER 48.A N ARG 44.A O no hydrogen 3.167 N/A SER 48.A OG ALA 146.A O no hydrogen 2.488 N/A VAL 49.A N LEU 45.A O no hydrogen 2.868 N/A VAL 50.A N ALA 46.A O no hydrogen 3.246 N/A LEU 51.A N LEU 47.A O no hydrogen 2.855 N/A ASP 52.A N SER 48.A O no hydrogen 2.901 N/A ALA 53.A N VAL 49.A O no hydrogen 2.906 N/A GLU 54.A N VAL 50.A O no hydrogen 2.897 N/A ALA 55.A N LEU 51.A O no hydrogen 2.978 N/A LYS 56.A N ASP 52.A O no hydrogen 3.022 N/A LYS 56.A N ALA 53.A O no hydrogen 3.216 N/A LYS 56.A NZ ASP 52.A OD1 no hydrogen 2.959 N/A LYS 56.A NZ ASP 52.A OD2 no hydrogen 3.224 N/A GLY 57.A N GLU 54.A O no hydrogen 2.965 N/A LEU 58.A N ALA 53.A O no hydrogen 2.776 N/A LYS 60.A N ASP 63.A OD1 no hydrogen 2.675 N/A LYS 60.A NZ ASP 63.A OD2 no hydrogen 3.248 N/A GLY 62.A N GLY 85.A O no hydrogen 3.014 N/A ASP 63.A N LYS 60.A O no hydrogen 2.886 N/A ILE 65.A N ARG 87.A O no hydrogen 2.719 N/A VAL 66.A N PHE 137.A O no hydrogen 2.814 N/A GLU 67.A N VAL 89.A O no hydrogen 3.264 N/A CYS 68.A N GLU 67.A OE1 no hydrogen 2.851 N/A CYS 68.A SG VAL 91.A O no hydrogen 3.704 N/A CYS 68.A SG SER 120.A O no hydrogen 3.981 N/A THR 69.A N VAL 91.A O no hydrogen 2.868 N/A GLY 71.A N THR 69.A OG1 no hydrogen 2.786 N/A ASN 72.A ND2 ASP 291.A OD2 no hydrogen 2.949 N/A GLY 74.A N THR 69.A OG1 no hydrogen 3.130 N/A ILE 75.A N GLY 71.A O no hydrogen 2.898 N/A ALA 76.A N ASN 72.A O no hydrogen 2.890 N/A LEU 77.A N VAL 73.A O no hydrogen 2.807 N/A ALA 78.A N GLY 74.A O no hydrogen 2.988 N/A MET 79.A N ILE 75.A O no hydrogen 2.935 N/A VAL 80.A N ALA 76.A O no hydrogen 2.786 N/A ALA 81.A N LEU 77.A O no hydrogen 2.762 N/A ALA 82.A N ALA 78.A O no hydrogen 2.830 N/A ALA 83.A N MET 79.A O no hydrogen 3.010 N/A ARG 84.A N VAL 80.A O no hydrogen 2.739 N/A ARG 84.A NE GLU 54.A OE1 no hydrogen 2.752 N/A ARG 84.A NH2 GLU 54.A OE1 no hydrogen 3.214 N/A ARG 84.A NH2 GLU 54.A OE2 no hydrogen 2.679 N/A TYR 86.A N ALA 81.A O no hydrogen 2.805 N/A TYR 86.A OH GLU 54.A OE1 no hydrogen 2.727 N/A ARG 87.A N ASP 63.A O no hydrogen 2.908 N/A ARG 87.A NH1 GLY 62.A O no hydrogen 3.139 N/A VAL 89.A N ILE 65.A O no hydrogen 2.781 N/A ALA 90.A N LYS 110.A O no hydrogen 2.807 N/A VAL 91.A N GLU 67.A O no hydrogen 2.847 N/A MET 92.A N VAL 112.A O no hydrogen 2.883 N/A ASP 94.A N PHE 114.A O no hydrogen 2.788 N/A SER 97.A N GLN 219.A OE1 no hydrogen 3.054 N/A SER 97.A OG GLU 99.A OE1 no hydrogen 3.367 N/A SER 97.A OG ARG 295.A O no hydrogen 2.799 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.891 N/A ARG 100.A N SER 97.A O no hydrogen 2.980 N/A ARG 100.A NE SER 70.A O no hydrogen 2.685 N/A ARG 100.A NH1 SER 97.A OG no hydrogen 3.168 N/A ARG 100.A NH2 TYR 296.A OH no hydrogen 3.092 N/A ARG 101.A NH1 ASP 94.A O no hydrogen 2.777 N/A LYS 102.A N VAL 98.A O no hydrogen 2.879 N/A LEU 103.A N GLU 99.A O no hydrogen 2.834 N/A ILE 104.A N ARG 100.A O no hydrogen 3.036 N/A ARG 105.A N ARG 101.A O no hydrogen 3.079 N/A ALA 106.A N LYS 102.A O no hydrogen 2.810 N/A TYR 107.A N LEU 103.A O no hydrogen 3.229 N/A GLY 108.A N ARG 105.A O no hydrogen 2.826 N/A GLY 109.A N ILE 104.A O no hydrogen 2.829 N/A LYS 110.A N PHE 88.A O no hydrogen 2.819 N/A VAL 112.A N ALA 90.A O no hydrogen 2.700 N/A PHE 114.A N MET 92.A O no hydrogen 3.291 N/A GLY 116.A N ASP 94.A OD1 no hydrogen 2.808 N/A LEU 118.A N PRO 115.A O no hydrogen 2.988 N/A GLY 119.A N GLY 116.A O no hydrogen 2.817 N/A LYS 121.A N ASN 224.A OD1 no hydrogen 2.879 N/A GLY 122.A N LEU 118.A O no hydrogen 3.355 N/A GLY 123.A N GLY 119.A O no hydrogen 3.239 N/A ASN 124.A N SER 120.A O no hydrogen 2.906 N/A LEU 125.A N LYS 121.A O no hydrogen 3.437 N/A ILE 126.A N GLY 122.A O no hydrogen 3.320 N/A ALA 127.A N GLY 123.A O no hydrogen 2.904 N/A ASP 128.A N ASN 124.A O no hydrogen 2.765 N/A GLU 129.A N LEU 125.A O no hydrogen 2.865 N/A LEU 130.A N ILE 126.A O no hydrogen 2.927 N/A ALA 131.A N ALA 127.A O no hydrogen 3.084 N/A GLU 132.A N ASP 128.A O no hydrogen 3.058 N/A LYS 133.A N GLU 129.A O no hydrogen 3.096 N/A LYS 133.A NZ TYR 134.A OH no hydrogen 3.350 N/A TYR 134.A N LEU 130.A O no hydrogen 2.933 N/A GLY 135.A N ALA 131.A O no hydrogen 2.504 N/A PHE 137.A N THR 64.A O no hydrogen 2.766 N/A ARG 138.A NE ASP 128.A OD2 no hydrogen 2.684 N/A ARG 138.A NH1 VAL 66.A O no hydrogen 3.072 N/A ARG 138.A NH1 GLU 67.A OE1 no hydrogen 2.944 N/A ARG 138.A NH2 ASP 128.A OD2 no hydrogen 3.344 N/A ALA 139.A N VAL 66.A O no hydrogen 3.459 N/A ARG 140.A NH1 ASP 128.A OD2 no hydrogen 3.127 N/A GLN 141.A N GLU 67.A OE2 no hydrogen 2.708 N/A GLN 141.A NE2 CYS 68.A O no hydrogen 3.022 N/A ASP 143.A N ARG 140.A O no hydrogen 2.959 N/A ASN 144.A N ARG 140.A O no hydrogen 2.798 N/A ASN 144.A ND2 ALA 139.A O no hydrogen 3.224 N/A ALA 146.A N ASN 144.A OD1 no hydrogen 2.854 N/A ASN 147.A N ASN 144.A O no hydrogen 2.873 N/A ASN 147.A ND2 GLN 141.A O no hydrogen 3.015 N/A ASN 147.A ND2 THR 177.A OG1 no hydrogen 2.902 N/A SER 149.A N PRO 145.A O no hydrogen 3.146 N/A SER 149.A OG ALA 146.A O no hydrogen 3.347 N/A TYR 150.A N ASN 147.A O no hydrogen 3.190 N/A HIS 151.A N PRO 148.A O no hydrogen 3.062 N/A HIS 151.A ND1 THR 155.A OG1 no hydrogen 2.910 N/A ARG 152.A N PRO 148.A O no hydrogen 2.990 N/A ARG 152.A NE GLN 186.A OE1 no hydrogen 2.636 N/A ARG 152.A NH2 GLN 186.A OE1 no hydrogen 2.868 N/A GLU 153.A N SER 149.A O no hydrogen 3.125 N/A THR 154.A N TYR 150.A O no hydrogen 2.952 N/A THR 154.A OG1 TYR 150.A O no hydrogen 2.572 N/A THR 155.A OG1 HIS 151.A ND1 no hydrogen 2.910 N/A ALA 156.A N HIS 151.A O no hydrogen 2.783 N/A SER 157.A OG GLU 153.A O no hydrogen 2.929 N/A GLU 158.A N THR 154.A O no hydrogen 2.856 N/A ILE 159.A N THR 155.A O no hydrogen 3.228 N/A LEU 160.A N ALA 156.A O no hydrogen 2.941 N/A ALA 161.A N SER 157.A O no hydrogen 2.995 N/A ASP 162.A N GLU 158.A O no hydrogen 3.026 N/A PHE 163.A N ILE 159.A O no hydrogen 3.072 N/A ALA 164.A N ALA 161.A O no hydrogen 3.395 N/A LYS 166.A N PHE 163.A O no hydrogen 2.813 N/A ARG 167.A NE ASP 169.A OD1 no hydrogen 3.416 N/A ARG 167.A NE ASP 169.A OD2 no hydrogen 2.790 N/A ASP 169.A N VAL 284.A O no hydrogen 2.849 N/A HIS 170.A N VAL 284.A O no hydrogen 3.249 N/A PHE 171.A N ARG 196.A O no hydrogen 2.881 N/A VAL 172.A N LEU 286.A O no hydrogen 2.675 N/A THR 173.A N VAL 198.A O no hydrogen 3.042 N/A THR 173.A OG1 GLY 174.A O no hydrogen 2.700 N/A THR 178.A OG1 THR 177.A O no hydrogen 2.591 N/A GLY 179.A N THR 177.A OG1 no hydrogen 3.106 N/A THR 182.A N THR 178.A O no hydrogen 2.759 N/A THR 182.A OG1 THR 178.A O no hydrogen 3.110 N/A GLY 183.A N GLY 179.A O no hydrogen 2.936 N/A VAL 184.A N THR 180.A O no hydrogen 2.970 N/A GLY 185.A N LEU 181.A O no hydrogen 2.921 N/A GLN 186.A N THR 182.A O no hydrogen 2.978 N/A GLN 186.A NE2 ASP 231.A OD2 no hydrogen 2.906 N/A LEU 188.A N VAL 184.A O no hydrogen 2.922 N/A ARG 189.A N GLY 185.A O no hydrogen 3.047 N/A ARG 189.A NH1 SER 233.A OG no hydrogen 2.923 N/A ARG 189.A NH2 ASP 231.A OD2 no hydrogen 2.885 N/A ALA 191.A N MET 187.A O no hydrogen 3.031 N/A ARG 192.A N LEU 188.A O no hydrogen 2.766 N/A ARG 192.A NH1 PHE 163.A O no hydrogen 2.828 N/A ARG 192.A NH1 LYS 166.A O no hydrogen 3.214 N/A ARG 192.A NH2 LYS 166.A O no hydrogen 2.826 N/A VAL 195.A N ARG 192.A O no hydrogen 3.000 N/A ARG 196.A N ASP 169.A O no hydrogen 2.834 N/A ARG 196.A NE ASP 237.A OD2 no hydrogen 2.616 N/A ARG 196.A NH2 ASP 236.A O no hydrogen 3.495 N/A ARG 196.A NH2 ASP 237.A OD1 no hydrogen 3.074 N/A VAL 197.A N ASP 236.A OD1 no hydrogen 2.793 N/A VAL 198.A N PHE 171.A O no hydrogen 2.873 N/A ALA 199.A N ASP 237.A O no hydrogen 2.770 N/A LEU 200.A N THR 173.A O no hydrogen 3.074 N/A GLU 201.A N VAL 239.A O no hydrogen 2.913 N/A SER 203.A N MET 241.A O no hydrogen 2.829 N/A ASN 204.A N ASN 204.A OD1 no hydrogen 2.475 N/A ASN 204.A ND2 GLU 243.A OE2 no hydrogen 3.247 N/A ALA 205.A N PRO 202.A O no hydrogen 2.853 N/A MET 207.A N ALA 205.A O no hydrogen 2.803 N/A LEU 208.A N GLU 201.A OE1 no hydrogen 2.870 N/A ALA 209.A N GLU 201.A OE2 no hydrogen 2.921 N/A ARG 210.A N ALA 206.A O no hydrogen 2.994 N/A GLU 212.A N ALA 206.A O no hydrogen 2.943 N/A TRP 213.A NE1 ALA 222.A O no hydrogen 2.772 N/A SER 214.A OG TRP 213.A O no hydrogen 2.995 N/A HIS 216.A NE2 LEU 221.A O no hydrogen 2.828 N/A GLN 217.A N GLU 243.A OE2 no hydrogen 2.730 N/A GLN 217.A NE2 GLU 243.A OE1 no hydrogen 3.071 N/A ILE 218.A N HIS 216.A ND1 no hydrogen 3.088 N/A LEU 221.A N ILE 218.A O no hydrogen 3.084 N/A ALA 222.A N PHE 175.A O no hydrogen 2.950 N/A ASN 224.A ND2 LEU 118.A O no hydrogen 2.898 N/A VAL 229.A N PHE 142.A O no hydrogen 3.156 N/A LEU 230.A N PRO 227.A O no hydrogen 3.263 N/A ASP 231.A N THR 182.A OG1 no hydrogen 3.182 N/A SER 233.A N ASP 231.A OD1 no hydrogen 3.279 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.566 N/A SER 233.A OG ASP 231.A OD2 no hydrogen 3.019 N/A VAL 234.A N ASP 231.A O no hydrogen 3.174 N/A ILE 235.A N ARG 232.A O no hydrogen 3.222 N/A ASP 236.A N VAL 197.A O no hydrogen 2.995 N/A ASP 237.A N VAL 197.A O no hydrogen 3.029 N/A VAL 239.A N ALA 199.A O no hydrogen 2.996 N/A MET 241.A N GLU 201.A O no hydrogen 2.933 N/A THR 245.A N ASP 242.A OD2 no hydrogen 2.761 N/A THR 245.A OG1 ASP 242.A OD1 no hydrogen 2.465 N/A THR 245.A OG1 ASP 242.A OD2 no hydrogen 2.874 N/A ALA 246.A N ASP 242.A O no hydrogen 3.148 N/A ARG 247.A N GLU 243.A O no hydrogen 2.846 N/A ARG 247.A NE ASP 248.A OD2 no hydrogen 2.958 N/A ARG 247.A NH1 PHE 300.A O no hydrogen 2.606 N/A ARG 247.A NH2 ASP 248.A OD2 no hydrogen 3.075 N/A ASP 248.A N VAL 244.A O no hydrogen 2.846 N/A THR 249.A N THR 245.A O no hydrogen 2.881 N/A THR 249.A OG1 THR 245.A O no hydrogen 2.651 N/A SER 250.A N ALA 246.A O no hydrogen 2.965 N/A SER 250.A OG ALA 261.A O no hydrogen 2.928 N/A ARG 251.A N ARG 247.A O no hydrogen 3.152 N/A ARG 251.A NE LEU 301.A O no hydrogen 2.917 N/A ARG 251.A NH2 LEU 301.A O no hydrogen 2.955 N/A ARG 251.A NH2 ASP 303.A O no hydrogen 2.736 N/A ARG 252.A N ASP 248.A O no hydrogen 2.995 N/A ARG 252.A NE GLU 256.A OE1 no hydrogen 3.224 N/A ARG 252.A NE GLU 256.A OE2 no hydrogen 2.841 N/A ARG 252.A NH2 GLU 256.A OE1 no hydrogen 2.828 N/A LEU 253.A N THR 249.A O no hydrogen 2.969 N/A ALA 254.A N SER 250.A O no hydrogen 3.228 N/A ALA 255.A N ARG 251.A O no hydrogen 3.025 N/A GLU 256.A N ARG 252.A O no hydrogen 2.692 N/A GLU 257.A N LEU 253.A O no hydrogen 2.811 N/A GLY 258.A N ALA 254.A O no hydrogen 3.246 N/A ILE 259.A N LEU 253.A O no hydrogen 3.209 N/A GLY 262.A N ASP 291.A O no hydrogen 3.121 N/A GLY 266.A N GLY 262.A O no hydrogen 3.123 N/A ALA 267.A N ILE 263.A O no hydrogen 2.872 N/A THR 268.A N SER 264.A O no hydrogen 3.121 N/A THR 268.A OG1 ALA 265.A O no hydrogen 2.905 N/A THR 268.A OG1 MET 288.A O no hydrogen 2.597 N/A VAL 269.A N ALA 265.A O no hydrogen 3.202 N/A ALA 270.A N GLY 266.A O no hydrogen 2.953 N/A THR 271.A N ALA 267.A O no hydrogen 2.915 N/A THR 271.A OG1 ALA 267.A O no hydrogen 3.476 N/A ALA 272.A N THR 268.A O no hydrogen 2.884 N/A LEU 273.A N VAL 269.A O no hydrogen 2.761 N/A SER 274.A N ALA 270.A O no hydrogen 2.926 N/A ILE 275.A N THR 271.A O no hydrogen 2.993 N/A ALA 276.A N ALA 272.A O no hydrogen 2.853 N/A GLU 277.A N LEU 273.A O no hydrogen 3.027 N/A ALA 279.A N ALA 276.A O no hydrogen 3.248 N/A GLY 282.A N HIS 25.A O no hydrogen 2.711 N/A THR 283.A N PRO 280.A O no hydrogen 3.209 N/A THR 283.A OG1 PRO 280.A O no hydrogen 2.562 N/A VAL 284.A N ASP 169.A OD2 no hydrogen 2.769 N/A LEU 285.A N SER 27.A O no hydrogen 2.896 N/A LEU 286.A N HIS 170.A O no hydrogen 2.889 N/A ALA 287.A N TYR 29.A O no hydrogen 2.865 N/A MET 288.A N VAL 172.A O no hydrogen 3.136 N/A LEU 289.A N LYS 31.A O no hydrogen 2.876 N/A THR 292.A N GLY 39.A O no hydrogen 3.244 N/A GLY 293.A N PHE 260.A O no hydrogen 3.204 N/A GLU 294.A N THR 292.A OG1 no hydrogen 3.046 N/A ARG 295.A NH1 GLY 38.A O no hydrogen 3.287 N/A ARG 295.A NH1 ASN 72.A OD1 no hydrogen 2.893 N/A ARG 295.A NH2 GLY 38.A O no hydrogen 3.008 N/A TYR 296.A N GLY 293.A O no hydrogen 3.023 N/A TYR 296.A OH ASP 291.A OD1 no hydrogen 3.334 N/A TYR 296.A OH ASP 291.A OD2 no hydrogen 2.383 N/A SER 298.A N GLU 99.A OE2 no hydrogen 2.847 N/A SER 298.A OG GLU 99.A OE1 no hydrogen 2.792 N/A THR 299.A N TYR 296.A O no hydrogen 2.846 N/A THR 299.A OG1 TYR 296.A O no hydrogen 2.630 N/A LEU 301.A N THR 299.A OG1 no hydrogen 3.248 N/A PHE 302.A N THR 299.A O no hydrogen 2.979 N/A ASP 303.A N PHE 300.A O no hydrogen 3.209 N/A VAL 305.A N PHE 302.A O no hydrogen 3.065 N/A GLY 308.A N ASP 306.A OD2 no hydrogen 2.581 N/A LEU 314.A N ASP 310.A O no hydrogen 2.976 N/A ALA 315.A N ASP 311.A O no hydrogen 3.072 N/A SER 316.A N ALA 312.A O no hydrogen 2.814 N/A LEU 317.A N LEU 314.A O no hydrogen 3.237 N/A THR 319.A N ALA 315.A O no hydrogen 3.528 N/A THR 319.A OG1 SER 316.A O no hydrogen 3.174 N/A THR 319.A OG1 SER 321.A OG no hydrogen 3.211 N/A SER 321.A OG THR 319.A OG1 no hydrogen 3.211 N/A