Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9f0f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLU 76.A O no hydrogen 2.862 N/A GLY 4.A N GLU 104.A O no hydrogen 2.934 N/A LEU 5.A N LYS 78.A O no hydrogen 2.639 N/A LEU 6.A N ILE 106.A O no hydrogen 2.871 N/A VAL 7.A N TYR 80.A O no hydrogen 2.996 N/A MET 8.A N ILE 108.A O no hydrogen 2.976 N/A ALA 9.A N GLY 82.A O no hydrogen 3.319 N/A TYR 14.A OH GLU 87.A O no hydrogen 2.375 N/A LYS 15.A N ASP 18.A OD2 no hydrogen 2.995 N/A ASP 18.A N LYS 15.A O no hydrogen 2.949 N/A ILE 19.A N ASP 16.A O no hydrogen 3.339 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.603 N/A ARG 21.A NE ASP 18.A OD1 no hydrogen 2.715 N/A ARG 21.A NH1 GLU 87.A OE1 no hydrogen 2.957 N/A ARG 21.A NH2 ASP 18.A OD1 no hydrogen 2.860 N/A ARG 21.A NH2 GLU 87.A OE1 no hydrogen 3.405 N/A ARG 21.A NH2 GLU 87.A OE2 no hydrogen 2.785 N/A TYR 22.A N ASP 18.A O no hydrogen 2.961 N/A TYR 22.A OH GLY 11.A O no hydrogen 2.666 N/A TYR 23.A N ILE 19.A O no hydrogen 2.834 N/A THR 24.A N GLU 20.A O no hydrogen 2.879 N/A THR 24.A OG1 GLU 20.A O no hydrogen 2.662 N/A ASP 25.A N ARG 21.A O no hydrogen 2.907 N/A ILE 26.A N TYR 22.A O no hydrogen 3.044 N/A ARG 27.A N TYR 23.A O no hydrogen 2.874 N/A HIS 28.A N ASP 25.A O no hydrogen 3.259 N/A GLY 29.A N THR 24.A O no hydrogen 2.789 N/A HIS 30.A N ARG 27.A O no hydrogen 3.017 N/A SER 33.A OG GLU 35.A OE1 no hydrogen 3.268 N/A GLU 35.A N GLU 35.A OE1 no hydrogen 2.695 N/A MET 36.A N SER 33.A OG no hydrogen 3.195 N/A ILE 37.A N SER 33.A O no hydrogen 2.921 N/A ALA 38.A N GLU 34.A O no hydrogen 2.746 N/A ASP 39.A N GLU 35.A O no hydrogen 3.078 N/A LEU 40.A N MET 36.A O no hydrogen 3.131 N/A ARG 41.A N ILE 37.A O no hydrogen 2.891 N/A ARG 41.A NE ASP 16.A OD1 no hydrogen 2.781 N/A ARG 41.A NH1 GLU 20.A OE2 no hydrogen 3.093 N/A ARG 41.A NH2 ASP 16.A O no hydrogen 2.779 N/A ARG 41.A NH2 ASP 16.A OD1 no hydrogen 3.558 N/A ARG 41.A NH2 GLU 20.A OE1 no hydrogen 3.165 N/A ARG 41.A NH2 GLU 20.A OE2 no hydrogen 3.133 N/A GLY 42.A N ALA 38.A O no hydrogen 2.833 N/A ARG 43.A N ASP 39.A O no hydrogen 3.096 N/A ARG 43.A NE ASP 39.A OD1 no hydrogen 3.141 N/A TYR 44.A N LEU 40.A O no hydrogen 3.079 N/A HIS 45.A N ARG 41.A O no hydrogen 2.973 N/A ALA 46.A N GLY 42.A O no hydrogen 2.767 N/A ILE 47.A N ARG 43.A O no hydrogen 3.237 N/A ILE 47.A N TYR 44.A O no hydrogen 3.228 N/A GLY 48.A N HIS 45.A O no hydrogen 3.149 N/A GLY 49.A N TYR 44.A O no hydrogen 2.696 N/A LEU 53.A N SER 51.A OG no hydrogen 3.234 N/A LYS 55.A NZ LYS 55.A O no hydrogen 2.586 N/A ILE 56.A N PRO 52.A O no hydrogen 3.030 N/A THR 57.A N LEU 53.A O no hydrogen 2.827 N/A THR 57.A OG1 LEU 53.A O no hydrogen 2.693 N/A GLU 58.A N ALA 54.A O no hydrogen 3.209 N/A ALA 59.A N LYS 55.A O no hydrogen 3.031 N/A GLN 60.A N ILE 56.A O no hydrogen 2.829 N/A GLN 60.A NE2 VAL 256.A O no hydrogen 3.131 N/A GLN 60.A NE2 ASN 288.A O no hydrogen 2.651 N/A ALA 61.A N THR 57.A O no hydrogen 2.899 N/A TYR 62.A N GLU 58.A O no hydrogen 2.896 N/A GLY 63.A N ALA 59.A O no hydrogen 2.779 N/A LEU 64.A N GLN 60.A O no hydrogen 2.867 N/A GLU 65.A N ALA 61.A O no hydrogen 3.165 N/A LYS 66.A N TYR 62.A O no hydrogen 3.054 N/A ALA 67.A N GLY 63.A O no hydrogen 2.941 N/A LEU 68.A N LEU 64.A O no hydrogen 2.855 N/A ASN 69.A N GLU 65.A O no hydrogen 3.005 N/A ASN 69.A ND2 PHE 77.A O no hydrogen 2.951 N/A ASP 70.A N LYS 66.A O no hydrogen 2.984 N/A SER 71.A N LEU 68.A O no hydrogen 3.421 N/A SER 71.A OG ALA 67.A O no hydrogen 3.228 N/A SER 71.A OG LEU 68.A O no hydrogen 2.991 N/A GLN 72.A NE2 LEU 68.A O no hydrogen 2.930 N/A GLN 72.A NE2 VAL 75.A O no hydrogen 2.930 N/A GLU 74.A N GLN 72.A OE1 no hydrogen 2.742 N/A VAL 75.A N GLN 72.A OE1 no hydrogen 3.052 N/A GLU 76.A N LYS 1.A O no hydrogen 2.858 N/A PHE 77.A N ASN 69.A OD1 no hydrogen 2.806 N/A LYS 78.A N VAL 3.A O no hydrogen 3.108 N/A ALA 79.A N GLU 65.A OE1 no hydrogen 2.657 N/A TYR 80.A N LEU 5.A O no hydrogen 2.770 N/A TYR 80.A OH ASP 100.A OD2 no hydrogen 2.656 N/A GLY 82.A N VAL 7.A O no hydrogen 2.949 N/A LEU 83.A N PRO 88.A O no hydrogen 2.645 N/A LYS 84.A N ALA 9.A O no hydrogen 2.821 N/A LYS 84.A NZ PHE 117.A O no hydrogen 3.094 N/A HIS 85.A N TYR 10.A O no hydrogen 3.132 N/A HIS 85.A ND1 ASP 25.A OD1 no hydrogen 2.983 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 3.012 N/A PHE 89.A N ASP 92.A OD2 no hydrogen 2.986 N/A ILE 90.A N LEU 83.A O no hydrogen 2.849 N/A GLU 91.A N GLU 91.A OE1 no hydrogen 2.590 N/A ALA 93.A N PHE 89.A O no hydrogen 3.065 N/A VAL 94.A N ILE 90.A O no hydrogen 3.170 N/A GLU 95.A N GLU 91.A O no hydrogen 3.019 N/A ALA 96.A N ASP 92.A O no hydrogen 2.897 N/A MET 97.A N ALA 93.A O no hydrogen 2.936 N/A HIS 98.A N VAL 94.A O no hydrogen 3.035 N/A LYS 99.A N GLU 95.A O no hydrogen 2.949 N/A ASP 100.A N ALA 96.A O no hydrogen 2.916 N/A GLY 101.A N HIS 98.A O no hydrogen 3.187 N/A ILE 102.A N MET 97.A O no hydrogen 2.881 N/A GLU 103.A N GLU 103.A OE1 no hydrogen 2.728 N/A ALA 105.A N ARG 137.A O no hydrogen 2.904 N/A ILE 106.A N GLY 4.A O no hydrogen 2.868 N/A SER 107.A N ASN 139.A O no hydrogen 3.064 N/A ILE 108.A N LEU 6.A O no hydrogen 2.856 N/A LEU 110.A N MET 8.A O no hydrogen 2.923 N/A HIS 113.A NE2 THR 200.A OG1 no hydrogen 2.859 N/A TYR 114.A N GLN 196.A OE1 no hydrogen 2.775 N/A SER 115.A OG ASP 191.A OD1 no hydrogen 3.053 N/A SER 116.A N ASP 191.A OD2 no hydrogen 3.108 N/A SER 116.A OG ASP 191.A OD2 no hydrogen 2.934 N/A SER 118.A N SER 115.A O no hydrogen 3.289 N/A VAL 119.A N SER 118.A OG no hydrogen 2.662 N/A GLU 120.A N SER 115.A O no hydrogen 3.042 N/A TYR 122.A N SER 118.A O no hydrogen 3.141 N/A ASN 123.A N VAL 119.A O no hydrogen 2.851 N/A LYS 124.A N GLU 120.A O no hydrogen 2.856 N/A ARG 125.A N ALA 121.A O no hydrogen 3.124 N/A ARG 125.A NE GLU 91.A OE2 no hydrogen 3.018 N/A ARG 125.A NH1 LYS 84.A O no hydrogen 2.889 N/A ARG 125.A NH2 LYS 84.A O no hydrogen 2.992 N/A ARG 125.A NH2 GLU 91.A OE1 no hydrogen 3.289 N/A ALA 126.A N TYR 122.A O no hydrogen 3.134 N/A LYS 127.A N ASN 123.A O no hydrogen 2.806 N/A GLU 128.A N LYS 124.A O no hydrogen 3.014 N/A ALA 129.A N ARG 125.A O no hydrogen 3.085 N/A ALA 130.A N ALA 126.A O no hydrogen 3.113 N/A ASP 131.A N LYS 127.A O no hydrogen 3.008 N/A LYS 132.A N GLU 128.A O no hydrogen 3.105 N/A LEU 133.A N ALA 129.A O no hydrogen 3.215 N/A GLY 134.A N ALA 130.A O no hydrogen 2.771 N/A ARG 137.A N GLU 103.A O no hydrogen 3.123 N/A ASN 139.A N ALA 105.A O no hydrogen 2.965 N/A ILE 141.A N SER 107.A O no hydrogen 2.988 N/A TRP 144.A N PRO 112.A O no hydrogen 2.957 N/A TRP 144.A NE1 VAL 109.A O no hydrogen 3.130 N/A TYR 145.A N PRO 112.A O no hydrogen 3.199 N/A TYR 145.A OH GLU 199.A OE2 no hydrogen 2.655 N/A GLN 147.A N TRP 144.A O no hydrogen 3.153 N/A LYS 149.A NZ GLU 295.A OE2 no hydrogen 2.673 N/A ILE 151.A N GLN 147.A O no hydrogen 3.177 N/A GLN 152.A N PRO 148.A O no hydrogen 2.815 N/A GLN 152.A NE2 GLN 152.A O no hydrogen 3.509 N/A GLN 152.A NE2 ASP 156.A OD1 no hydrogen 2.813 N/A MET 153.A N LYS 149.A O no hydrogen 2.849 N/A TRP 154.A N PHE 150.A O no hydrogen 3.299 N/A ALA 155.A N ILE 151.A O no hydrogen 3.092 N/A ASP 156.A N GLN 152.A O no hydrogen 2.897 N/A ARG 157.A N MET 153.A O no hydrogen 3.242 N/A ARG 157.A NH1 PRO 285.A O no hydrogen 3.250 N/A ARG 157.A NH1 ASP 290.A OD1 no hydrogen 2.863 N/A ARG 157.A NH2 ASP 290.A OD1 no hydrogen 2.630 N/A ILE 158.A N TRP 154.A O no hydrogen 3.011 N/A ASN 159.A N ALA 155.A O no hydrogen 2.819 N/A ASN 159.A ND2 LYS 207.A O no hydrogen 3.097 N/A GLU 160.A N ASP 156.A O no hydrogen 2.877 N/A THR 161.A N ARG 157.A O no hydrogen 3.227 N/A THR 161.A OG1 ARG 157.A O no hydrogen 3.548 N/A ALA 162.A N ILE 158.A O no hydrogen 2.803 N/A LYS 163.A N ASN 159.A O no hydrogen 3.126 N/A GLN 164.A N THR 161.A O no hydrogen 2.976 N/A ILE 165.A N ALA 162.A O no hydrogen 2.995 N/A ASP 168.A N ASP 168.A OD1 no hydrogen 2.399 N/A GLU 169.A N PRO 166.A O no hydrogen 2.999 N/A LEU 170.A N ALA 167.A O no hydrogen 3.132 N/A ASP 172.A N GLU 169.A O no hydrogen 3.066 N/A THR 173.A N LEU 170.A O no hydrogen 3.083 N/A THR 173.A OG1 GLU 169.A O no hydrogen 2.935 N/A VAL 174.A N HIS 247.A O no hydrogen 3.083 N/A LEU 175.A N HIS 212.A O no hydrogen 2.833 N/A ILE 176.A N ILE 249.A O no hydrogen 2.645 N/A VAL 177.A N ALA 214.A O no hydrogen 2.965 N/A SER 178.A N THR 251.A O no hydrogen 3.282 N/A SER 178.A OG GLN 218.A OE1 no hydrogen 2.844 N/A HIS 180.A ND1 SER 181.A O no hydrogen 2.795 N/A SER 181.A N GLN 218.A O no hydrogen 2.743 N/A SER 181.A OG LEU 182.A O no hydrogen 3.432 N/A SER 181.A OG LEU 228.A O no hydrogen 3.025 N/A GLU 184.A N PRO 226.A O no hydrogen 2.872 N/A LYS 185.A NZ GLU 225.A OE1 no hydrogen 3.463 N/A ILE 186.A N PRO 183.A O no hydrogen 3.319 N/A LYS 187.A N GLU 184.A O no hydrogen 2.943 N/A GLN 188.A N LYS 185.A O no hydrogen 3.042 N/A HIS 189.A N ILE 186.A O no hydrogen 3.382 N/A ASN 190.A N LYS 187.A O no hydrogen 3.453 N/A ASP 191.A N ILE 186.A O no hydrogen 3.058 N/A TYR 193.A N ASP 191.A OD1 no hydrogen 2.997 N/A TYR 193.A OH HIS 180.A O no hydrogen 2.719 N/A GLN 196.A N PRO 192.A O no hydrogen 2.698 N/A GLN 196.A NE2 ASP 143.A OD2 no hydrogen 3.290 N/A LEU 197.A N TYR 193.A O no hydrogen 3.167 N/A GLN 198.A N PRO 194.A O no hydrogen 3.053 N/A GLN 198.A NE2 GLN 198.A O no hydrogen 3.455 N/A GLN 198.A NE2 ASP 202.A OD1 no hydrogen 2.790 N/A GLU 199.A N ASN 195.A O no hydrogen 2.966 N/A THR 200.A N GLN 196.A O no hydrogen 2.991 N/A THR 200.A OG1 HIS 113.A NE2 no hydrogen 2.859 N/A THR 200.A OG1 GLN 196.A O no hydrogen 2.893 N/A ALA 201.A N LEU 197.A O no hydrogen 2.974 N/A ASP 202.A N GLN 198.A O no hydrogen 2.861 N/A PHE 203.A N GLU 199.A O no hydrogen 2.794 N/A ILE 204.A N THR 200.A O no hydrogen 2.967 N/A PHE 205.A N ALA 201.A O no hydrogen 2.847 N/A GLU 206.A N ASP 202.A O no hydrogen 3.288 N/A LYS 207.A N ILE 204.A O no hydrogen 2.981 N/A LYS 207.A NZ PHE 203.A O no hydrogen 3.069 N/A VAL 208.A N PHE 205.A O no hydrogen 3.428 N/A VAL 209.A N ASN 159.A OD1 no hydrogen 2.901 N/A TYR 213.A OH ASP 202.A OD1 no hydrogen 2.680 N/A ALA 214.A N LEU 175.A O no hydrogen 2.881 N/A GLY 216.A N VAL 177.A O no hydrogen 2.789 N/A TRP 217.A N PRO 230.A O no hydrogen 2.929 N/A GLN 218.A N ALA 179.A O no hydrogen 3.083 N/A GLN 218.A NE2 ASN 266.A OD1 no hydrogen 3.028 N/A SER 219.A OG ASP 265.A OD1 no hydrogen 2.420 N/A THR 223.A OG1 GLU 225.A OE2 no hydrogen 3.384 N/A GLU 225.A N THR 223.A OG1 no hydrogen 3.425 N/A TRP 227.A NE1 THR 223.A OG1 no hydrogen 2.687 N/A LEU 228.A N LEU 182.A O no hydrogen 2.700 N/A VAL 232.A N TRP 217.A O no hydrogen 2.834 N/A GLN 233.A N ASP 231.A OD1 no hydrogen 2.779 N/A GLN 233.A NE2 ASP 231.A OD1 no hydrogen 3.002 N/A LEU 235.A N ASP 231.A O no hydrogen 2.628 N/A THR 236.A N VAL 232.A O no hydrogen 3.017 N/A THR 236.A OG1 VAL 232.A O no hydrogen 2.465 N/A THR 236.A OG1 TYR 250.A OH no hydrogen 2.846 N/A ARG 237.A N GLN 233.A O no hydrogen 3.200 N/A ARG 237.A NH1 GLU 276.A OE1 no hydrogen 3.225 N/A ARG 237.A NH1 GLU 276.A OE2 no hydrogen 2.701 N/A ARG 237.A NH2 GLU 276.A OE1 no hydrogen 2.941 N/A GLU 238.A N ASP 234.A O no hydrogen 3.051 N/A LEU 239.A N LEU 235.A O no hydrogen 2.875 N/A TYR 240.A N THR 236.A O no hydrogen 3.081 N/A GLY 241.A N ARG 237.A O no hydrogen 2.927 N/A ARG 242.A N GLU 238.A O no hydrogen 3.055 N/A ARG 242.A NH2 GLU 238.A OE2 no hydrogen 2.650 N/A GLU 243.A N LEU 239.A O no hydrogen 2.849 N/A LYS 244.A N TYR 240.A O no hydrogen 2.808 N/A LYS 244.A NZ TYR 240.A O no hydrogen 2.907 N/A LYS 246.A N ASP 172.A O no hydrogen 2.785 N/A LYS 246.A NZ ASP 172.A OD2 no hydrogen 2.540 N/A HIS 247.A N ASP 172.A O no hydrogen 3.313 N/A HIS 247.A ND1 HIS 282.A NE2 no hydrogen 2.904 N/A HIS 247.A NE2 GLU 169.A OE1 no hydrogen 2.634 N/A PHE 248.A N ALA 280.A O no hydrogen 3.108 N/A ILE 249.A N VAL 174.A O no hydrogen 2.975 N/A TYR 250.A N HIS 282.A O no hydrogen 2.829 N/A TYR 250.A OH THR 236.A OG1 no hydrogen 2.846 N/A THR 251.A N ILE 176.A O no hydrogen 2.900 N/A VAL 253.A N THR 251.A O no hydrogen 2.781 N/A GLY 254.A N SER 178.A O no hydrogen 3.300 N/A PHE 255.A N PRO 252.A O no hydrogen 3.002 N/A GLU 258.A N ASN 288.A OD1 no hydrogen 3.073 N/A GLU 261.A N HIS 259.A ND1 no hydrogen 3.229 N/A VAL 262.A N HIS 259.A O no hydrogen 3.044 N/A LEU 263.A N HIS 259.A O no hydrogen 2.671 N/A TYR 264.A N LEU 260.A O no hydrogen 2.947 N/A ASN 266.A N VAL 262.A O no hydrogen 3.226 N/A ASN 266.A ND2 GLN 218.A OE1 no hydrogen 3.080 N/A ASP 267.A N VAL 262.A O no hydrogen 2.956 N/A TYR 268.A N TYR 264.A O no hydrogen 3.157 N/A GLU 269.A N TYR 264.A O no hydrogen 2.937 N/A CYS 270.A N ASN 266.A O no hydrogen 3.189 N/A CYS 270.A SG ASP 265.A O no hydrogen 3.659 N/A LYS 271.A NZ ASP 275.A OD1 no hydrogen 3.302 N/A VAL 272.A N TYR 268.A O no hydrogen 2.905 N/A THR 274.A N CYS 270.A O no hydrogen 3.081 N/A THR 274.A OG1 LYS 271.A O no hydrogen 2.926 N/A ASP 275.A N LYS 271.A O no hydrogen 2.844 N/A GLU 276.A N VAL 272.A O no hydrogen 2.944 N/A VAL 277.A N VAL 273.A O no hydrogen 2.970 N/A ALA 279.A N THR 274.A O no hydrogen 2.795 N/A ALA 280.A N LYS 246.A O no hydrogen 2.977 N/A TYR 281.A OH ASP 267.A OD1 no hydrogen 2.778 N/A HIS 282.A N PHE 248.A O no hydrogen 2.889 N/A HIS 282.A NE2 HIS 247.A ND1 no hydrogen 2.904 N/A ARG 283.A NE ASP 267.A OD1 no hydrogen 2.971 N/A ARG 283.A NH1 GLU 258.A OE2 no hydrogen 3.316 N/A ARG 283.A NH1 PRO 284.A O no hydrogen 3.051 N/A ARG 283.A NH2 ASP 267.A OD2 no hydrogen 2.756 N/A MET 286.A N GLU 258.A OE2 no hydrogen 3.417 N/A ASN 288.A N VAL 256.A O no hydrogen 2.885 N/A ASN 288.A ND2 GLU 258.A OE1 no hydrogen 3.204 N/A ASP 290.A N PRO 287.A O no hydrogen 3.171 N/A LEU 294.A N ASP 290.A O no hydrogen 2.905 N/A GLU 295.A N PRO 291.A O no hydrogen 2.869 N/A VAL 296.A N GLU 292.A O no hydrogen 3.042 N/A LEU 297.A N PHE 293.A O no hydrogen 3.004 N/A ARG 298.A N LEU 294.A O no hydrogen 2.845 N/A ARG 298.A NE GLU 295.A OE1 no hydrogen 3.031 N/A ARG 298.A NE GLU 295.A OE2 no hydrogen 3.224 N/A ARG 298.A NH2 GLU 295.A OE2 no hydrogen 3.058 N/A THR 299.A N GLU 295.A O no hydrogen 3.042 N/A THR 299.A OG1 GLU 295.A O no hydrogen 2.785 N/A VAL 300.A N VAL 296.A O no hydrogen 3.042 N/A VAL 301.A N LEU 297.A O no hydrogen 2.891 N/A TRP 302.A N ARG 298.A O no hydrogen 3.004 N/A GLU 303.A N THR 299.A O no hydrogen 2.943 N/A LYS 304.A N VAL 300.A O no hydrogen 3.116 N/A TYR 305.A N VAL 301.A O no hydrogen 2.962 N/A SER 306.A N TRP 302.A O no hydrogen 3.026 N/A SER 306.A OG TRP 302.A O no hydrogen 2.804 N/A ASN 307.A N LYS 304.A O no hydrogen 3.207 N/A LEU 308.A N TYR 305.A O no hydrogen 3.287 N/A