Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s99_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLY 33.A O no hydrogen 2.685 N/A LYS 1.A NZ VAL 36.A O no hydrogen 3.437 N/A LEU 2.A N LYS 35.A O no hydrogen 2.794 N/A LYS 3.A NZ ALA 60.A O no hydrogen 3.537 N/A VAL 4.A N GLU 37.A O no hydrogen 2.770 N/A GLY 5.A N LEU 64.A O no hydrogen 2.792 N/A PHE 6.A N THR 39.A O no hydrogen 2.904 N/A ILE 7.A N PHE 66.A O no hydrogen 2.985 N/A TYR 8.A N LEU 41.A O no hydrogen 2.862 N/A TYR 8.A OH ASP 22.A OD1 no hydrogen 2.718 N/A GLY 10.A N THR 18.A OG1 no hydrogen 3.260 N/A ASP 14.A N PRO 11.A O no hydrogen 2.852 N/A PHE 15.A N PRO 12.A O no hydrogen 3.207 N/A GLY 16.A N ASP 14.A OD1 no hydrogen 2.857 N/A TRP 17.A N ASP 192.A O no hydrogen 3.159 N/A TRP 17.A NE1 THR 68.A O no hydrogen 2.925 N/A THR 18.A N ASP 14.A OD2 no hydrogen 2.784 N/A TYR 19.A N ASP 14.A OD1 no hydrogen 2.932 N/A GLN 20.A N GLY 16.A O no hydrogen 2.921 N/A GLN 20.A NE2 ASP 228.A O no hydrogen 2.932 N/A HIS 21.A N TRP 17.A O no hydrogen 3.276 N/A HIS 21.A ND1 TYR 234.A OH no hydrogen 2.719 N/A ASP 22.A N THR 18.A O no hydrogen 2.865 N/A GLN 23.A N TYR 19.A O no hydrogen 2.694 N/A ALA 24.A N GLN 20.A O no hydrogen 3.054 N/A ARG 25.A N HIS 21.A O no hydrogen 2.853 N/A ARG 25.A NE ASP 22.A OD1 no hydrogen 2.826 N/A ARG 25.A NH1 THR 38.A OG1 no hydrogen 2.996 N/A ARG 25.A NH2 ASP 22.A OD1 no hydrogen 3.246 N/A ARG 25.A NH2 ASP 22.A OD2 no hydrogen 3.443 N/A LYS 26.A N ASP 22.A O no hydrogen 2.983 N/A LYS 26.A NZ GLN 23.A OE1 no hydrogen 3.391 N/A GLU 27.A N GLN 23.A O no hydrogen 3.034 N/A LEU 28.A N ALA 24.A O no hydrogen 2.962 N/A VAL 29.A N ARG 25.A O no hydrogen 3.003 N/A GLU 30.A N LYS 26.A O no hydrogen 2.974 N/A ALA 31.A N GLU 27.A O no hydrogen 2.937 N/A LEU 32.A N LEU 28.A O no hydrogen 2.750 N/A LYS 35.A N LEU 32.A O no hydrogen 3.016 N/A VAL 36.A N LEU 32.A O no hydrogen 2.772 N/A GLU 37.A N LEU 2.A O no hydrogen 2.825 N/A THR 39.A N VAL 4.A O no hydrogen 3.003 N/A LEU 41.A N PHE 6.A O no hydrogen 3.005 N/A ASN 43.A N GLY 10.A O no hydrogen 3.173 N/A VAL 44.A N TYR 8.A O no hydrogen 2.989 N/A ALA 45.A N ASP 49.A OD2 no hydrogen 2.941 N/A GLU 51.A N GLY 47.A O no hydrogen 3.016 N/A ARG 52.A N ALA 48.A O no hydrogen 2.991 N/A SER 53.A N ASP 49.A O no hydrogen 2.801 N/A SER 53.A OG ASP 49.A O no hydrogen 2.845 N/A SER 53.A OG ASP 49.A OD1 no hydrogen 2.992 N/A ILE 54.A N ALA 50.A O no hydrogen 2.876 N/A LYS 55.A N GLU 51.A O no hydrogen 2.949 N/A ARG 56.A N ARG 52.A O no hydrogen 2.852 N/A ILE 57.A N SER 53.A O no hydrogen 3.108 N/A ALA 58.A N ILE 54.A O no hydrogen 3.056 N/A ARG 59.A N LYS 55.A O no hydrogen 2.769 N/A ALA 60.A N ARG 56.A O no hydrogen 2.996 N/A GLY 61.A N ALA 58.A O no hydrogen 2.995 N/A ASN 62.A N ILE 57.A O no hydrogen 3.383 N/A ASN 62.A ND2 ILE 57.A O no hydrogen 2.878 N/A LYS 63.A N LYS 3.A O no hydrogen 2.854 N/A ILE 65.A N LYS 87.A O no hydrogen 2.876 N/A PHE 66.A N GLY 5.A O no hydrogen 2.784 N/A THR 67.A N GLU 89.A O no hydrogen 2.819 N/A THR 67.A OG1 THR 76.A OG1 no hydrogen 2.854 N/A THR 67.A OG1 GLU 89.A O no hydrogen 3.497 N/A THR 68.A N ILE 7.A O no hydrogen 3.136 N/A THR 68.A OG1 ILE 7.A O no hydrogen 2.654 N/A TYR 72.A N SER 69.A O no hydrogen 3.049 N/A TYR 72.A OH VAL 44.A O no hydrogen 2.486 N/A MET 73.A N PHE 70.A O no hydrogen 3.000 N/A THR 76.A N TYR 72.A O no hydrogen 2.910 N/A THR 76.A OG1 THR 67.A OG1 no hydrogen 2.854 N/A THR 76.A OG1 TYR 72.A O no hydrogen 2.643 N/A VAL 77.A N MET 73.A O no hydrogen 3.062 N/A LYS 78.A N ASP 74.A O no hydrogen 2.923 N/A LYS 78.A NZ GLU 51.A OE1 no hydrogen 3.420 N/A VAL 79.A N PRO 75.A O no hydrogen 2.930 N/A ALA 80.A N THR 76.A O no hydrogen 2.889 N/A LYS 82.A N VAL 79.A O no hydrogen 2.879 N/A PHE 83.A N ALA 80.A O no hydrogen 3.192 N/A VAL 86.A N PHE 83.A O no hydrogen 2.986 N/A LYS 87.A N LYS 63.A O no hydrogen 2.883 N/A PHE 88.A N ASN 99.A O no hydrogen 2.927 N/A GLU 89.A N ILE 65.A O no hydrogen 2.824 N/A HIS 90.A N SER 101.A O no hydrogen 2.891 N/A HIS 90.A NE2 SER 69.A O no hydrogen 2.804 N/A ALA 91.A N THR 67.A O no hydrogen 2.867 N/A THR 92.A N TYR 103.A O no hydrogen 2.598 N/A THR 92.A OG1 ALA 91.A O no hydrogen 2.623 N/A LYS 95.A NZ ASP 74.A OD1 no hydrogen 2.931 N/A ALA 97.A N MET 100.A O no hydrogen 3.065 N/A ASN 99.A ND2 ALA 80.A O no hydrogen 2.972 N/A ASN 99.A ND2 PHE 83.A O no hydrogen 3.001 N/A ASN 99.A ND2 VAL 86.A O no hydrogen 3.108 N/A MET 100.A N ALA 97.A O no hydrogen 3.061 N/A SER 101.A N PHE 88.A O no hydrogen 2.920 N/A ALA 102.A N GLN 249.A O no hydrogen 2.945 N/A TYR 103.A N HIS 90.A O no hydrogen 2.834 N/A TYR 103.A OH TYR 234.A OH no hydrogen 2.725 N/A ASN 104.A N ILE 251.A O no hydrogen 2.936 N/A ARG 106.A N TRP 253.A O no hydrogen 2.654 N/A ARG 106.A NH1 TYR 108.A OH no hydrogen 3.012 N/A ARG 106.A NH1 ASP 312.A OD1 no hydrogen 3.034 N/A ARG 106.A NH1 ASP 312.A OD2 no hydrogen 3.538 N/A ARG 106.A NH2 ASP 312.A OD2 no hydrogen 2.780 N/A PHE 107.A N ALA 105.A O no hydrogen 2.853 N/A GLU 109.A N ARG 106.A O no hydrogen 2.977 N/A ARG 111.A N PHE 107.A O no hydrogen 3.271 N/A ARG 111.A NH1 GLN 189.A O no hydrogen 3.019 N/A ARG 111.A NH2 GLN 189.A O no hydrogen 2.750 N/A TYR 112.A N TYR 108.A O no hydrogen 3.213 N/A TYR 112.A N GLU 109.A O no hydrogen 3.279 N/A GLN 114.A N GLY 110.A O no hydrogen 3.050 N/A GLY 115.A N ARG 111.A O no hydrogen 2.895 N/A VAL 116.A N TYR 112.A O no hydrogen 3.019 N/A ILE 117.A N VAL 113.A O no hydrogen 3.052 N/A ALA 118.A N GLN 114.A O no hydrogen 2.786 N/A ALA 119.A N GLY 115.A O no hydrogen 2.937 N/A LYS 120.A N VAL 116.A O no hydrogen 3.132 N/A MET 121.A N ILE 117.A O no hydrogen 2.850 N/A SER 122.A N ALA 118.A O no hydrogen 2.827 N/A SER 122.A OG ASP 185.A OD1 no hydrogen 2.411 N/A SER 122.A OG ASP 185.A OD2 no hydrogen 3.310 N/A LYS 124.A N ASP 185.A OD2 no hydrogen 3.193 N/A LYS 124.A NZ GLY 183.A O no hydrogen 2.939 N/A ILE 126.A N SER 122.A OG no hydrogen 3.099 N/A ALA 127.A N ARG 157.A O no hydrogen 3.025 N/A GLY 128.A N ILE 186.A O no hydrogen 2.725 N/A TYR 129.A N LYS 159.A O no hydrogen 2.798 N/A ILE 130.A N THR 188.A O no hydrogen 2.867 N/A GLY 131.A N ILE 161.A O no hydrogen 2.817 N/A SER 132.A OG HIS 190.A O no hydrogen 2.977 N/A VAL 135.A N VAL 133.A O no hydrogen 2.807 N/A VAL 138.A N VAL 135.A O no hydrogen 2.882 N/A VAL 139.A N VAL 135.A O no hydrogen 3.139 N/A GLN 140.A N PRO 136.A O no hydrogen 2.833 N/A GLN 140.A NE2 LEU 315.A O no hydrogen 2.805 N/A GLY 141.A N GLU 137.A O no hydrogen 3.226 N/A ILE 142.A N VAL 138.A O no hydrogen 3.009 N/A ASN 143.A N VAL 139.A O no hydrogen 2.958 N/A ASN 143.A ND2 PHE 320.A O no hydrogen 2.916 N/A SER 144.A N GLN 140.A O no hydrogen 2.795 N/A SER 144.A OG TYR 108.A O no hydrogen 2.623 N/A PHE 145.A N GLY 141.A O no hydrogen 2.984 N/A MET 146.A N ILE 142.A O no hydrogen 3.029 N/A LEU 147.A N ASN 143.A O no hydrogen 2.974 N/A GLY 148.A N SER 144.A O no hydrogen 2.953 N/A ALA 149.A N PHE 145.A O no hydrogen 2.954 N/A GLN 150.A N MET 146.A O no hydrogen 2.737 N/A GLN 150.A NE2 ALA 323.A O no hydrogen 2.905 N/A SER 151.A N LEU 147.A O no hydrogen 3.124 N/A SER 151.A N GLY 148.A O no hydrogen 3.102 N/A SER 151.A OG GLY 148.A O no hydrogen 2.574 N/A VAL 152.A N ALA 149.A O no hydrogen 2.951 N/A ASN 153.A N ALA 149.A O no hydrogen 2.834 N/A ASP 155.A N ASN 153.A OD1 no hydrogen 2.893 N/A PHE 156.A N ASN 153.A O no hydrogen 3.065 N/A ARG 157.A N GLY 125.A O no hydrogen 2.955 N/A LYS 159.A N ALA 127.A O no hydrogen 2.913 N/A ILE 161.A N TYR 129.A O no hydrogen 3.008 N/A TRP 162.A NE1 ASP 327.A OD2 no hydrogen 2.870 N/A VAL 163.A N GLY 131.A O no hydrogen 2.796 N/A ASN 164.A N SER 132.A O no hydrogen 2.799 N/A ASP 168.A N GLU 172.A OE2 no hydrogen 2.866 N/A LYS 171.A N ASP 168.A OD1 no hydrogen 3.443 N/A GLU 172.A N ASP 168.A O no hydrogen 2.915 N/A ALA 173.A N PRO 169.A O no hydrogen 3.023 N/A ASP 174.A N GLY 170.A O no hydrogen 2.923 N/A ALA 175.A N LYS 171.A O no hydrogen 2.843 N/A ALA 176.A N GLU 172.A O no hydrogen 3.106 N/A LYS 177.A N ALA 173.A O no hydrogen 3.033 N/A ALA 178.A N ASP 174.A O no hydrogen 2.956 N/A LEU 179.A N ALA 175.A O no hydrogen 2.878 N/A ILE 180.A N ALA 176.A O no hydrogen 2.910 N/A ASP 181.A N LYS 177.A O no hydrogen 2.813 N/A GLN 182.A N ALA 178.A O no hydrogen 3.018 N/A GLY 183.A N ILE 180.A O no hydrogen 3.046 N/A VAL 184.A N LEU 179.A O no hydrogen 3.315 N/A ASP 185.A N ILE 126.A O no hydrogen 3.155 N/A ILE 187.A N LYS 206.A O no hydrogen 3.017 N/A THR 188.A N GLY 128.A O no hydrogen 2.966 N/A GLN 189.A NE2 THR 191.A O no hydrogen 2.790 N/A GLN 189.A NE2 SER 193.A O no hydrogen 2.787 N/A HIS 190.A N ILE 130.A O no hydrogen 2.814 N/A HIS 190.A NE2 GLU 137.A OE2 no hydrogen 2.870 N/A THR 191.A OG1 GLU 172.A OE1 no hydrogen 2.817 N/A ASP 192.A N TRP 166.A O no hydrogen 2.834 N/A SER 193.A N GLU 172.A OE1 no hydrogen 3.100 N/A SER 193.A OG GLU 172.A OE1 no hydrogen 2.778 N/A THR 194.A N ASP 14.A O no hydrogen 3.176 N/A THR 194.A OG1 GLN 198.A OE1 no hydrogen 3.536 N/A ALA 195.A N SER 193.A OG no hydrogen 2.963 N/A GLN 198.A N THR 194.A O no hydrogen 3.227 N/A VAL 199.A N ALA 195.A O no hydrogen 3.177 N/A ALA 200.A N ALA 196.A O no hydrogen 2.840 N/A HIS 201.A N ILE 197.A O no hydrogen 2.861 N/A ASP 202.A N GLN 198.A O no hydrogen 2.752 N/A ARG 203.A N VAL 199.A O no hydrogen 2.905 N/A GLY 204.A N HIS 201.A O no hydrogen 2.868 N/A ILE 205.A N ALA 200.A O no hydrogen 2.831 N/A LYS 206.A NZ ASN 267.A O no hydrogen 2.864 N/A ALA 207.A N THR 221.A O no hydrogen 3.066 N/A PHE 208.A N ILE 187.A O no hydrogen 2.988 N/A GLY 209.A N THR 224.A O no hydrogen 2.985 N/A ALA 211.A N VAL 226.A O no hydrogen 3.003 N/A SER 212.A OG GLN 20.A OE1 no hydrogen 2.948 N/A MET 214.A N GLN 222.A OE1 no hydrogen 2.944 N/A ILE 215.A N ASP 213.A OD1 no hydrogen 3.059 N/A PHE 217.A N MET 214.A O no hydrogen 2.991 N/A ALA 218.A N ILE 215.A O no hydrogen 2.857 N/A THR 221.A N ALA 218.A O no hydrogen 3.081 N/A GLN 222.A N ALA 218.A O no hydrogen 2.877 N/A GLN 222.A NE2 ASP 213.A OD1 no hydrogen 2.740 N/A LEU 223.A N ALA 207.A O no hydrogen 2.945 N/A THR 224.A OG1 ALA 263.A O no hydrogen 2.824 N/A THR 224.A OG1 PRO 264.A O no hydrogen 3.520 N/A ALA 225.A N THR 224.A OG1 no hydrogen 2.672 N/A VAL 227.A N LYS 261.A O no hydrogen 2.742 N/A ASP 228.A N ALA 211.A O no hydrogen 2.936 N/A GLU 229.A N LEU 259.A O no hydrogen 2.857 N/A TYR 233.A OH GLU 89.A OE1 no hydrogen 2.677 N/A TYR 234.A N TRP 230.A O no hydrogen 2.933 N/A TYR 234.A OH HIS 21.A ND1 no hydrogen 2.719 N/A TYR 234.A OH TYR 103.A OH no hydrogen 2.725 N/A ILE 235.A N GLY 231.A O no hydrogen 2.937 N/A ASP 236.A N PRO 232.A O no hydrogen 2.956 N/A ARG 237.A N TYR 233.A O no hydrogen 3.022 N/A ARG 237.A NE GLU 89.A OE2 no hydrogen 2.848 N/A ARG 237.A NH2 GLU 89.A OE2 no hydrogen 3.417 N/A ARG 237.A NH2 SER 101.A OG no hydrogen 3.279 N/A ARG 237.A NH2 LYS 247.A O no hydrogen 2.777 N/A ALA 238.A N TYR 234.A O no hydrogen 3.041 N/A LYS 239.A N ILE 235.A O no hydrogen 2.899 N/A ALA 240.A N ASP 236.A O no hydrogen 2.886 N/A VAL 241.A N ARG 237.A O no hydrogen 3.023 N/A LEU 242.A N ALA 238.A O no hydrogen 2.920 N/A ASP 243.A N LYS 239.A O no hydrogen 2.783 N/A GLY 244.A N VAL 241.A O no hydrogen 3.195 N/A THR 245.A N ALA 240.A O no hydrogen 2.998 N/A THR 245.A N ASP 243.A OD1 no hydrogen 3.023 N/A THR 245.A OG1 ASP 243.A OD1 no hydrogen 2.661 N/A TRP 246.A NE1 GLU 89.A OE2 no hydrogen 2.772 N/A LYS 247.A NZ THR 245.A O no hydrogen 2.860 N/A SER 248.A OG ALA 97.A O no hydrogen 2.705 N/A SER 248.A OG MET 100.A O no hydrogen 3.005 N/A GLN 249.A N SER 101.A OG no hydrogen 3.073 N/A GLN 249.A NE2 TYR 233.A OH no hydrogen 3.346 N/A ILE 251.A N ALA 102.A O no hydrogen 2.997 N/A TRP 253.A N ASN 104.A O no hydrogen 2.985 N/A GLY 254.A N GLU 257.A OE1 no hydrogen 2.752 N/A MET 255.A N GLU 109.A OE1 no hydrogen 2.682 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.801 N/A GLY 258.A N MET 255.A O no hydrogen 3.089 N/A LEU 259.A N GLY 254.A O no hydrogen 3.028 N/A VAL 260.A N GLY 254.A O no hydrogen 3.486 N/A LYS 261.A N VAL 227.A O no hydrogen 3.049 N/A MET 262.A N GLU 280.A OE2 no hydrogen 2.995 N/A ALA 263.A N ALA 225.A O no hydrogen 2.803 N/A THR 266.A N LEU 223.A O no hydrogen 2.903 N/A THR 266.A OG1 GLN 222.A O no hydrogen 2.615 N/A THR 266.A OG1 LEU 223.A O no hydrogen 3.547 N/A ASN 267.A ND2 PRO 219.A O no hydrogen 3.075 N/A ASN 267.A ND2 GLN 222.A O no hydrogen 2.852 N/A VAL 272.A N PRO 269.A O no hydrogen 3.011 N/A LYS 273.A N PRO 269.A O no hydrogen 3.129 N/A LYS 274.A N ASP 270.A O no hydrogen 2.942 N/A LEU 275.A N ASP 271.A O no hydrogen 3.097 N/A ALA 276.A N VAL 272.A O no hydrogen 2.862 N/A GLU 277.A N LYS 273.A O no hydrogen 2.878 N/A GLU 278.A N LYS 274.A O no hydrogen 2.961 N/A THR 279.A N LEU 275.A O no hydrogen 2.834 N/A THR 279.A OG1 LEU 275.A O no hydrogen 2.587 N/A GLU 280.A N ALA 276.A O no hydrogen 2.995 N/A ALA 281.A N GLU 277.A O no hydrogen 2.916 N/A ARG 282.A N GLU 278.A O no hydrogen 3.019 N/A ILE 283.A N THR 279.A O no hydrogen 3.092 N/A LYS 284.A N GLU 280.A O no hydrogen 2.800 N/A SER 285.A N ALA 281.A O no hydrogen 3.031 N/A SER 285.A OG ALA 281.A O no hydrogen 3.382 N/A SER 285.A OG ARG 282.A O no hydrogen 2.892 N/A GLY 286.A N ILE 283.A O no hydrogen 3.089 N/A GLU 287.A N SER 285.A OG no hydrogen 3.292 N/A LEU 288.A N ARG 282.A O no hydrogen 2.945 N/A THR 292.A OG1 ASN 289.A O no hydrogen 2.559 N/A GLY 293.A N GLU 308.A O no hydrogen 2.862 N/A ILE 295.A N LEU 304.A O no hydrogen 2.996 N/A LYS 297.A N SER 301.A O no hydrogen 2.802 N/A GLN 298.A N TYR 321.A O no hydrogen 2.902 N/A GLN 298.A NE2 VAL 325.A O no hydrogen 2.956 N/A GLN 298.A NE2 ASP 327.A O no hydrogen 2.558 N/A GLY 300.A N LYS 297.A O no hydrogen 2.957 N/A SER 301.A N ASP 299.A OD2 no hydrogen 2.967 N/A SER 301.A OG ASP 299.A OD2 no hydrogen 2.562 N/A TRP 303.A N ILE 295.A O no hydrogen 2.810 N/A LEU 304.A N ILE 295.A O no hydrogen 3.072 N/A LYS 305.A N GLU 308.A OE1 no hydrogen 2.857 N/A GLY 307.A N GLY 293.A O no hydrogen 3.051 N/A GLU 308.A N LYS 305.A O no hydrogen 2.843 N/A ALA 310.A N PHE 291.A O no hydrogen 2.886 N/A THR 314.A N ASP 311.A O no hydrogen 2.941 N/A LEU 315.A N ASP 311.A O no hydrogen 3.319 N/A LEU 316.A N ASP 312.A O no hydrogen 3.009 N/A GLY 317.A N THR 314.A O no hydrogen 3.315 N/A MET 318.A N LEU 315.A O no hydrogen 2.998 N/A TYR 321.A OH ASP 327.A OD2 no hydrogen 2.735 N/A VAL 322.A N ASN 143.A OD1 no hydrogen 2.832 N/A ALA 323.A N LYS 296.A O no hydrogen 2.841 N/A VAL 325.A N VAL 322.A O no hydrogen 3.474 N/A