Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9dr5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASP 45.A OD1 no hydrogen 2.948 N/A VAL 4.A N ASP 45.A OD2 no hydrogen 3.132 N/A PHE 5.A N ASP 45.A OD2 no hydrogen 3.011 N/A THR 7.A OG1 VAL 4.A O no hydrogen 2.688 N/A LYS 8.A NZ GLU 9.A OE2.B no hydrogen 3.048 N/A GLU 9.A N GLU 9.A OE1.B no hydrogen 2.858 N/A GLN 11.A N THR 7.A O no hydrogen 3.020 N/A GLN 11.A NE2 PHE 5.A O no hydrogen 2.873 N/A ASP 12.A N LYS 8.A O no hydrogen 2.844 N/A LEU 13.A N GLU 9.A O no hydrogen 3.011 N/A LEU 14.A N VAL 10.A O no hydrogen 2.999 N/A LYS 15.A N GLN 11.A O no hydrogen 3.041 N/A ALA 16.A N ASP 12.A O no hydrogen 2.987 N/A ALA 17.A N LEU 13.A O no hydrogen 2.844 N/A ALA 18.A N LEU 14.A O no hydrogen 3.089 N/A ASN 19.A N ALA 16.A O no hydrogen 3.000 N/A LEU 20.A N LYS 15.A O no hydrogen 3.053 N/A GLY 22.A N ASN 19.A O no hydrogen 3.078 N/A ARG 28.A NH1 GLN 31.A OE1 no hydrogen 3.359 N/A PHE 29.A N ASN 26.A OD1 no hydrogen 2.971 N/A ARG 30.A N ASN 26.A O no hydrogen 3.038 N/A ARG 30.A NH1 ASP 23.A O no hydrogen 2.802 N/A ARG 30.A NH2 ASP 23.A O no hydrogen 2.864 N/A GLN 31.A N ALA 27.A O no hydrogen 2.781 N/A ILE 32.A N ARG 28.A O no hydrogen 3.001 N/A VAL 33.A N PHE 29.A O no hydrogen 2.938 N/A HIS 34.A N ARG 30.A O no hydrogen 2.866 N/A ARG 35.A N GLN 31.A O no hydrogen 3.086 N/A ARG 35.A NE ASP 39.A OD1 no hydrogen 3.332 N/A ARG 35.A NE ASP 39.A OD2 no hydrogen 2.831 N/A LEU 36.A N ILE 32.A O no hydrogen 2.890 N/A LEU 37.A N VAL 33.A O no hydrogen 2.841 N/A SER 38.A N HIS 34.A O no hydrogen 2.869 N/A SER 38.A OG HIS 34.A O no hydrogen 2.709 N/A ASP 39.A N ARG 35.A O no hydrogen 2.941 N/A LEU 40.A N LEU 36.A O no hydrogen 2.968 N/A PHE 41.A N LEU 37.A O no hydrogen 2.858 N/A LYS 42.A N SER 38.A O no hydrogen 2.891 N/A LYS 42.A NZ ASP 46.A OD2 no hydrogen 2.749 N/A ALA 43.A N ASP 39.A O no hydrogen 2.882 N/A ILE 44.A N LEU 40.A O no hydrogen 2.926 N/A ASP 45.A N PHE 41.A O no hydrogen 2.996 N/A ASP 46.A N LYS 42.A O no hydrogen 2.803 N/A LEU 47.A N ALA 43.A O no hydrogen 3.023 N/A ASP 48.A N ASP 45.A O no hydrogen 3.339 N/A ILE 49.A N ILE 44.A O no hydrogen 2.985 N/A THR 50.A N GLU 53.A OE1 no hydrogen 2.906 N/A GLU 53.A N THR 50.A OG1 no hydrogen 2.975 N/A VAL 54.A N THR 50.A O no hydrogen 2.913 N/A TRP 55.A N PRO 51.A O no hydrogen 2.856 N/A ALA 56.A N ASP 52.A O no hydrogen 3.066 N/A GLY 57.A N GLU 53.A O no hydrogen 3.030 N/A VAL 58.A N VAL 54.A O no hydrogen 2.828 N/A ASN 59.A N TRP 55.A O no hydrogen 2.921 N/A TYR 60.A N ALA 56.A O no hydrogen 2.896 N/A TYR 60.A OH ALA 206.A O no hydrogen 2.779 N/A LEU 61.A N GLY 57.A O no hydrogen 2.991 N/A ASN 62.A N VAL 58.A O no hydrogen 3.215 N/A LYS 63.A N ASN 59.A O no hydrogen 3.154 N/A LYS 63.A NZ ASP 67.A OD2 no hydrogen 2.872 N/A LYS 63.A NZ GLN 204.A O no hydrogen 2.910 N/A LEU 64.A N TYR 60.A O no hydrogen 2.768 N/A GLY 65.A N LEU 61.A O no hydrogen 3.140 N/A GLN 66.A N ASN 62.A O no hydrogen 2.947 N/A ASP 67.A N LYS 63.A O no hydrogen 2.861 N/A GLY 68.A N GLY 65.A O no hydrogen 2.902 N/A GLU 69.A N LEU 64.A O no hydrogen 3.078 N/A LEU 73.A N GLU 69.A O no hydrogen 2.920 N/A ALA 74.A N ALA 70.A O no hydrogen 2.969 N/A ALA 75.A N ALA 71.A O no hydrogen 3.274 N/A GLY 76.A N LEU 72.A O no hydrogen 2.873 N/A ILE 77.A N LEU 73.A O no hydrogen 2.936 N/A GLY 78.A N ALA 75.A O no hydrogen 3.154 N/A GLU 80.A N ALA 74.A O no hydrogen 3.048 N/A TYR 82.A N GLY 78.A O no hydrogen 2.844 N/A LEU 83.A N LEU 79.A O no hydrogen 3.040 N/A ASP 84.A N GLU 80.A O no hydrogen 3.396 N/A ILE 85.A N LYS 81.A O no hydrogen 2.897 N/A ARG 86.A N TYR 82.A O no hydrogen 3.025 N/A MET 87.A N LEU 83.A O no hydrogen 2.993 N/A ASP 88.A N ASP 84.A O no hydrogen 2.731 N/A ALA 89.A N ILE 85.A O no hydrogen 2.987 N/A ALA 90.A N ARG 86.A O no hydrogen 3.133 N/A ASP 91.A N MET 87.A O no hydrogen 2.965 N/A ARG 92.A N ASP 88.A O no hydrogen 2.975 N/A ALA 93.A N ALA 89.A O no hydrogen 3.153 N/A ALA 94.A N ASP 91.A O no hydrogen 3.082 N/A GLY 95.A N ARG 92.A O no hydrogen 3.337 N/A LEU 96.A N ASP 91.A O no hydrogen 2.922 N/A THR 100.A N VAL 288.A O no hydrogen 2.986 N/A THR 100.A OG1 VAL 288.A O no hydrogen 3.560 N/A ARG 102.A NH1 ASP 88.A OD1 no hydrogen 2.689 N/A ARG 102.A NH1 ASP 91.A OD2 no hydrogen 2.957 N/A ARG 102.A NH2 ASP 91.A OD2 no hydrogen 3.187 N/A ARG 102.A NH2 GLN 299.A OE1 no hydrogen 2.960 N/A THR 103.A N THR 237.A O no hydrogen 3.016 N/A THR 103.A OG1 ALA 255.A O no hydrogen 2.686 N/A GLY 106.A N GLU 80.A OE2 no hydrogen 2.863 N/A TYR 109.A OH GLU 153.A OE1.A no hydrogen 2.828 N/A TYR 109.A OH GLU 153.A OE1.B no hydrogen 2.552 N/A ALA 111.A N ALA 306.A O no hydrogen 2.792 N/A ARG 116.A N ALA 180.A O no hydrogen 2.934 N/A GLY 118.A N ARG 182.A O no hydrogen 2.893 N/A VAL 119.A N ASP 117.A O no hydrogen 2.852 N/A ALA 120.A N GLU 190.A O no hydrogen 2.957 N/A LYS 121.A NZ ASP 123.A OD1 no hydrogen 2.894 N/A LYS 121.A NZ ASP 123.A OD2 no hydrogen 3.225 N/A ILE 122.A N ARG 192.A O no hydrogen 2.918 N/A LEU 124.A N ASN 176.A OD1 no hydrogen 2.709 N/A ASP 125.A N ASN 176.A OD1 no hydrogen 2.966 N/A ALA 130.A N ASP 127.A O no hydrogen 3.098 N/A LEU 133.A N THR 193.A O no hydrogen 2.912 N/A VAL 134.A N LYS 281.A O no hydrogen 2.874 N/A ILE 135.A N PHE 191.A O no hydrogen 2.914 N/A ARG 136.A N ILE 283.A O no hydrogen 2.975 N/A GLY 137.A N TYR 189.A O no hydrogen 3.175 N/A THR 138.A N ASP 286.A OD1 no hydrogen 2.930 N/A VAL 139.A N GLY 187.A O no hydrogen 2.817 N/A THR 140.A N ILE 287.A O no hydrogen 2.874 N/A GLY 141.A N LYS 145.A O no hydrogen 3.141 N/A THR 142.A N LEU 289.A O no hydrogen 3.098 N/A GLY 144.A N GLY 141.A O no hydrogen 2.875 N/A LYS 145.A N ASP 143.A OD1 no hydrogen 3.463 N/A LEU 147.A N VAL 139.A O no hydrogen 2.852 N/A GLY 149.A N THR 183.A O no hydrogen 3.017 N/A ALA 150.A N THR 183.A OG1 no hydrogen 2.819 N/A LEU 151.A N SER 229.A O no hydrogen 2.781 N/A VAL 152.A N VAL 181.A O no hydrogen 2.817 N/A GLU 153.A N PHE 227.A O no hydrogen 2.777 N/A CYS 154.A N GLY 179.A O no hydrogen 2.916 N/A TRP 155.A N HIS 225.A O no hydrogen 3.147 N/A HIS 156.A N LEU 177.A O no hydrogen 3.176 N/A HIS 156.A ND1 ALA 157.A O no hydrogen 2.897 N/A HIS 156.A NE2 THR 193.A OG1 no hydrogen 2.742 N/A ASN 158.A N PHE 162.A O no hydrogen 2.899 N/A SER 159.A N ASP 127.A OD2 no hydrogen 2.836 N/A SER 159.A OG ASP 127.A OD1 no hydrogen 2.521 N/A SER 159.A OG ASP 127.A OD2 no hydrogen 3.089 N/A LYS 160.A N ASN 158.A OD1 no hydrogen 2.845 N/A GLY 161.A N ASN 158.A O no hydrogen 3.064 N/A PHE 162.A N ASN 158.A OD1 no hydrogen 2.999 N/A TYR 163.A OH TYR 199.A OH.B no hydrogen 3.155 N/A TYR 163.A OH HIS 225.A NE2 no hydrogen 3.379 N/A SER 164.A OG ASN 176.A O no hydrogen 2.725 N/A PHE 166.A N TYR 163.A O no hydrogen 2.994 N/A THR 169.A N ASP 167.A OD1 no hydrogen 2.884 N/A THR 169.A OG1 ASP 167.A OD1 no hydrogen 2.676 N/A GLY 170.A N ASP 167.A O no hydrogen 3.031 N/A GLN 172.A NE2 PHE 162.A O no hydrogen 3.053 N/A GLN 172.A NE2 ASP 167.A OD2 no hydrogen 2.922 N/A THR 173.A N ASP 125.A OD2 no hydrogen 2.642 N/A THR 173.A OG1 ASP 125.A OD1 no hydrogen 2.488 N/A THR 173.A OG1 ASP 125.A OD2 no hydrogen 3.497 N/A PHE 175.A N HIS 165.A NE2 no hydrogen 2.936 N/A ASN 176.A N THR 173.A O no hydrogen 3.090 N/A ASN 176.A ND2 GLN 172.A OE1 no hydrogen 2.934 N/A LEU 177.A N ILE 122.A O no hydrogen 2.762 N/A ARG 178.A N PHE 175.A O no hydrogen 3.093 N/A ARG 178.A NE SER 164.A O no hydrogen 3.291 N/A ARG 178.A NE SER 164.A OG no hydrogen 2.923 N/A ARG 178.A NH1 LEU 108.A O no hydrogen 2.879 N/A ARG 178.A NH2 LEU 108.A O no hydrogen 2.852 N/A ARG 178.A NH2 SER 164.A O no hydrogen 2.915 N/A GLY 179.A N CYS 154.A O no hydrogen 3.064 N/A VAL 181.A N VAL 152.A O no hydrogen 2.800 N/A ARG 182.A N ARG 116.A O no hydrogen 2.786 N/A ARG 182.A NE ASP 117.A OD1 no hydrogen 3.064 N/A ARG 182.A NH2 ASP 117.A OD1 no hydrogen 2.869 N/A THR 183.A N ALA 150.A O no hydrogen 2.747 N/A THR 183.A OG1 LEU 147.A O no hydrogen 2.735 N/A ASP 184.A N LYS 188.A O no hydrogen 2.942 N/A ASN 186.A N ASP 184.A OD1 no hydrogen 2.735 N/A GLY 187.A N ASP 184.A O no hydrogen 2.861 N/A LYS 188.A N ASP 184.A OD1 no hydrogen 2.906 N/A TYR 189.A N GLY 137.A O no hydrogen 3.009 N/A TYR 189.A OH PHE 285.A O no hydrogen 2.643 N/A PHE 191.A N ILE 135.A O no hydrogen 2.711 N/A ARG 192.A N ALA 120.A O no hydrogen 2.766 N/A ARG 192.A NE GLU 190.A OE2 no hydrogen 2.817 N/A ARG 192.A NH2 GLU 190.A OE2 no hydrogen 3.067 N/A THR 193.A N LEU 133.A O no hydrogen 2.746 N/A THR 193.A OG1 HIS 156.A NE2 no hydrogen 2.742 N/A LEU 194.A N THR 193.A OG1 no hydrogen 2.744 N/A MET 195.A N GLY 131.A O no hydrogen 2.828 N/A VAL 197.A N.A ASN 158.A O no hydrogen 3.475 N/A TYR 199.A N.B ARG 220.A O no hydrogen 3.322 N/A TYR 199.A OH.B TYR 163.A OH no hydrogen 3.155 N/A CYS 201.A N GLY 218.A O no hydrogen 2.904 N/A CYS 201.A SG GLY 218.A O no hydrogen 3.591 N/A GLY 205.A N PRO 202.A O no hydrogen 2.946 N/A THR 207.A N GLU 69.A OE1 no hydrogen 2.878 N/A THR 207.A OG1 GLU 69.A OE1 no hydrogen 2.913 N/A GLN 208.A NE2 GLN 208.A O no hydrogen 3.448 N/A GLN 208.A NE2 ASN 212.A OD1 no hydrogen 2.973 N/A GLN 208.A NE2 ARG 216.A O no hydrogen 3.560 N/A GLN 209.A N GLY 205.A O no hydrogen 3.030 N/A LEU 210.A N ALA 206.A O no hydrogen 3.091 N/A LEU 211.A N THR 207.A O no hydrogen 2.892 N/A ASN 212.A N GLN 208.A O no hydrogen 2.719 N/A GLY 213.A N GLN 209.A O no hydrogen 3.129 N/A LEU 214.A N LEU 210.A O no hydrogen 3.113 N/A GLY 215.A N ASN 212.A O no hydrogen 3.055 N/A ARG 216.A N LEU 211.A O no hydrogen 2.916 N/A ARG 216.A NH1 GLY 76.A O no hydrogen 2.819 N/A ARG 216.A NH2 GLY 76.A O no hydrogen 3.072 N/A ARG 216.A NH2 PHE 252.A O no hydrogen 2.925 N/A HIS 217.A NE2 ASP 250.A OD2 no hydrogen 3.145 N/A ASN 219.A N HIS 217.A ND1 no hydrogen 2.945 N/A ARG 220.A N TYR 199.A O.A no hydrogen 2.808 N/A ARG 220.A N TYR 199.A O.B no hydrogen 2.894 N/A ARG 220.A NE ASP 251.A OD1 no hydrogen 2.938 N/A ARG 220.A NH2 ASP 251.A OD2 no hydrogen 3.063 N/A ALA 222.A N ASP 245.A OD2 no hydrogen 2.887 N/A HIS 223.A ND1 PRO 221.A O no hydrogen 2.674 N/A HIS 223.A NE2 HIS 225.A NE2 no hydrogen 3.194 N/A VAL 224.A N PHE 240.A O no hydrogen 2.942 N/A HIS 225.A N TRP 155.A O no hydrogen 2.978 N/A PHE 226.A N THR 238.A O no hydrogen 2.931 N/A PHE 227.A N GLU 153.A O no hydrogen 2.967 N/A VAL 228.A N LEU 236.A O no hydrogen 2.880 N/A SER 229.A N LEU 151.A O no hydrogen 2.985 N/A HIS 233.A N GLY 230.A O no hydrogen 3.044 N/A HIS 233.A ND1 ASP 231.A O no hydrogen 2.882 N/A ARG 234.A N THR 290.A O no hydrogen 2.899 N/A ARG 234.A NE THR 290.A OG1 no hydrogen 2.823 N/A ARG 234.A NH1 ASP 91.A OD1 no hydrogen 2.906 N/A ARG 234.A NH1 ASN 298.A OD1 no hydrogen 2.959 N/A ARG 234.A NH2 ASP 91.A OD1 no hydrogen 3.473 N/A ARG 234.A NH2 ASP 91.A OD2 no hydrogen 2.908 N/A ARG 234.A NH2 THR 290.A OG1 no hydrogen 3.163 N/A LYS 235.A N ASP 297.A OD2 no hydrogen 2.821 N/A LEU 236.A N VAL 228.A O no hydrogen 2.753 N/A THR 238.A N PHE 226.A O no hydrogen 2.938 N/A THR 238.A OG1 PRO 101.A O no hydrogen 2.824 N/A THR 238.A OG1 GLN 239.A O no hydrogen 3.499 N/A GLN 239.A N THR 238.A OG1 no hydrogen 2.788 N/A GLN 239.A NE2 ASN 241.A OD1 no hydrogen 3.233 N/A PHE 240.A N VAL 224.A O no hydrogen 3.009 N/A ASN 241.A N LEU 260.A O no hydrogen 2.913 N/A ILE 242.A N ALA 222.A O no hydrogen 2.943 N/A ASP 245.A N ILE 242.A O no hydrogen 3.310 N/A LEU 247.A N ASP 245.A OD1 no hydrogen 2.946 N/A ILE 248.A N ASP 245.A O no hydrogen 3.028 N/A ASP 250.A N LEU 247.A O no hydrogen 2.813 N/A PHE 252.A N ASN 219.A O no hydrogen 2.988 N/A ALA 253.A N ASP 251.A OD1 no hydrogen 3.117 N/A TYR 254.A N ASP 251.A O no hydrogen 3.103 N/A ALA 255.A N ASP 251.A OD2 no hydrogen 2.993 N/A THR 256.A OG1 ILE 248.A O no hydrogen 2.558 N/A ARG 257.A NH1 ASP 88.A OD2 no hydrogen 2.782 N/A ARG 257.A NH1 ARG 102.A O no hydrogen 2.854 N/A ARG 257.A NH2 ASP 88.A OD2 no hydrogen 2.951 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.807 N/A LEU 260.A N ARG 257.A O no hydrogen 2.937 N/A HIS 263.A ND1 GLU 243.A OE2 no hydrogen 2.755 N/A VAL 264.A N GLU 243.A OE1 no hydrogen 3.085 N/A VAL 265.A N GLU 282.A O no hydrogen 2.931 N/A LYS 267.A N TYR 280.A O no hydrogen 2.774 N/A GLY 269.A N ASP 278.A OD1 no hydrogen 2.878 N/A GLY 270.A N ASP 278.A O no hydrogen 2.871 N/A ALA 272.A N GLY 269.A O no hydrogen 3.164 N/A LEU 273.A N GLY 270.A O no hydrogen 2.983 N/A GLY 274.A N ALA 271.A O no hydrogen 3.042 N/A MET 275.A N GLY 270.A O no hydrogen 2.962 N/A LYS 276.A NZ ALA 130.A O no hydrogen 2.708 N/A SER 277.A OG ALA 279.A O no hydrogen 2.715 N/A TYR 280.A N LYS 267.A O no hydrogen 3.030 N/A LYS 281.A N PRO 132.A O no hydrogen 3.162 N/A LYS 281.A NZ ASP 266.A OD1 no hydrogen 2.897 N/A GLU 282.A N VAL 265.A O no hydrogen 2.806 N/A ILE 283.A N VAL 134.A O no hydrogen 2.782 N/A PHE 285.A N ARG 136.A O no hydrogen 2.829 N/A ILE 287.A N THR 138.A O no hydrogen 2.992 N/A VAL 288.A N THR 100.A OG1 no hydrogen 2.771 N/A LEU 289.A N THR 140.A O no hydrogen 2.820 N/A LEU 292.A N GLY 232.A O no hydrogen 3.134 N/A LEU 293.A N ARG 296.A O no hydrogen 2.997 N/A ARG 296.A N LEU 293.A O no hydrogen 2.982 N/A ARG 296.A NE ASP 294.A O no hydrogen 3.137 N/A ARG 296.A NH2 ASP 294.A O no hydrogen 3.441 N/A GLN 299.A N ASP 297.A OD1 no hydrogen 3.002 N/A GLN 299.A NE2 LYS 235.A O no hydrogen 2.862 N/A GLN 299.A NE2 ASP 297.A OD1 no hydrogen 2.829 N/A GLN 299.A NE2 ASP 297.A OD2 no hydrogen 3.308 N/A ARG 303.A NH1 GLU 80.A OE2 no hydrogen 2.982 N/A ARG 305.A NE GLU 105.A OE2 no hydrogen 2.796 N/A ARG 305.A NH1 VAL 301.A O no hydrogen 3.072 N/A ARG 305.A NH2 GLU 105.A OE1 no hydrogen 2.872 N/A ARG 305.A NH2 VAL 301.A O no hydrogen 2.822 N/A ALA 308.A N ALA 111.A O no hydrogen 3.080 N/A