Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r8f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ASP 1.A OD2 no hydrogen 3.085 N/A LYS 6.A NZ TYR 7.A OH no hydrogen 3.455 N/A TYR 7.A N ASN 4.A O no hydrogen 3.300 N/A THR 8.A OG1 PRO 5.A O no hydrogen 3.296 N/A THR 8.A OG1 ASN 11.A OD1 no hydrogen 3.226 N/A ASN 11.A N THR 8.A O no hydrogen 3.202 N/A PHE 12.A N LEU 9.A O no hydrogen 3.412 N/A GLY 15.A N ASN 18.A OD1 no hydrogen 2.949 N/A ASN 18.A ND2 ILE 13.A O no hydrogen 3.529 N/A ARG 19.A N GLY 15.A O no hydrogen 3.066 N/A TYR 22.A N ASN 18.A O no hydrogen 2.922 N/A GLU 23.A N ARG 19.A O no hydrogen 2.881 N/A VAL 24.A N LEU 20.A O no hydrogen 2.895 N/A VAL 25.A N ALA 21.A O no hydrogen 2.929 N/A LYS 26.A N TYR 22.A O no hydrogen 2.899 N/A GLU 27.A N GLU 23.A O no hydrogen 2.902 N/A ALA 28.A N VAL 24.A O no hydrogen 2.914 N/A LEU 29.A N VAL 25.A O no hydrogen 2.883 N/A GLU 30.A N LYS 26.A O no hydrogen 2.986 N/A ASN 31.A N GLU 27.A O no hydrogen 3.199 N/A GLY 33.A N GLN 132.A OE1 no hydrogen 3.093 N/A ILE 39.A N ILE 133.A O no hydrogen 2.919 N/A PHE 40.A N ILE 159.A O no hydrogen 2.986 N/A ILE 41.A N LEU 135.A O no hydrogen 2.905 N/A TYR 42.A N VAL 161.A O no hydrogen 3.099 N/A GLY 43.A N SER 137.A O no hydrogen 2.932 N/A THR 47.A OG1 SER 44.A O no hydrogen 2.218 N/A LYS 49.A NZ GLY 43.A O no hydrogen 3.048 N/A THR 50.A OG1 ASP 104.A OD2 no hydrogen 2.655 N/A HIS 51.A NE2 THR 8.A O no hydrogen 2.893 N/A LEU 52.A N GLY 48.A O no hydrogen 2.941 N/A LEU 53.A N LYS 49.A O no hydrogen 2.953 N/A GLN 54.A N THR 50.A O no hydrogen 2.867 N/A GLN 54.A NE2 PHE 2.A O no hydrogen 3.571 N/A ALA 55.A N HIS 51.A O no hydrogen 2.884 N/A ALA 56.A N LEU 52.A O no hydrogen 2.939 N/A GLY 57.A N LEU 53.A O no hydrogen 2.935 N/A ASN 58.A N GLN 54.A O no hydrogen 2.891 N/A ASN 58.A ND2 ASN 4.A O no hydrogen 3.439 N/A ASN 58.A ND2 TYR 7.A O no hydrogen 2.780 N/A GLU 59.A N ALA 55.A O no hydrogen 2.902 N/A ALA 60.A N ALA 56.A O no hydrogen 2.937 N/A LYS 61.A N GLY 57.A O no hydrogen 2.902 N/A LYS 61.A NZ ASP 1.A OD2 no hydrogen 3.446 N/A LYS 62.A N ASN 58.A O no hydrogen 2.890 N/A ARG 63.A N GLU 59.A O no hydrogen 2.927 N/A ARG 63.A N ALA 60.A O no hydrogen 3.024 N/A ARG 63.A NH1 GLU 59.A OE1 no hydrogen 3.243 N/A ARG 63.A NH2 GLU 30.A OE1 no hydrogen 3.273 N/A GLY 64.A N LYS 61.A O no hydrogen 3.083 N/A TYR 65.A N ALA 60.A O no hydrogen 2.995 N/A ARG 66.A N ASP 99.A OD2 no hydrogen 3.114 N/A ILE 68.A N LEU 100.A O no hydrogen 3.292 N/A TYR 69.A OH ASP 104.A OD2 no hydrogen 2.778 N/A SER 70.A N LEU 102.A O no hydrogen 3.078 N/A SER 70.A OG SER 71.A O no hydrogen 3.194 N/A SER 70.A OG TYR 95.A OH no hydrogen 3.403 N/A SER 71.A OG ASP 73.A OD1 no hydrogen 2.713 N/A SER 71.A OG ASP 73.A OD2 no hydrogen 3.464 N/A ALA 72.A N ASP 104.A O no hydrogen 3.048 N/A PHE 75.A N SER 71.A O no hydrogen 2.928 N/A ALA 76.A N ALA 72.A O no hydrogen 2.911 N/A GLN 77.A N ASP 73.A O no hydrogen 2.930 N/A ALA 78.A N ASP 74.A O no hydrogen 2.902 N/A MET 79.A N PHE 75.A O no hydrogen 2.899 N/A VAL 80.A N ALA 76.A O no hydrogen 2.910 N/A GLU 81.A N GLN 77.A O no hydrogen 2.928 N/A HIS 82.A N ALA 78.A O no hydrogen 2.893 N/A HIS 82.A ND1 THR 87.A OG1 no hydrogen 2.899 N/A LEU 83.A N MET 79.A O no hydrogen 2.900 N/A LYS 84.A N VAL 80.A O no hydrogen 2.914 N/A LYS 85.A N GLU 81.A O no hydrogen 2.908 N/A GLY 86.A N LEU 83.A O no hydrogen 3.125 N/A THR 87.A N HIS 82.A O no hydrogen 2.879 N/A THR 87.A OG1 HIS 82.A ND1 no hydrogen 2.899 N/A PHE 91.A N THR 87.A O no hydrogen 3.295 N/A ARG 92.A N ILE 88.A O no hydrogen 2.928 N/A ARG 92.A NE GLU 118.A OE2 no hydrogen 2.856 N/A ASN 93.A N ASN 89.A O no hydrogen 2.881 N/A MET 94.A N GLU 90.A O no hydrogen 2.882 N/A TYR 95.A N PHE 91.A O no hydrogen 2.988 N/A LYS 96.A N ARG 92.A O no hydrogen 2.907 N/A SER 97.A N MET 94.A O no hydrogen 3.446 N/A SER 97.A OG ASN 93.A O no hydrogen 3.250 N/A SER 97.A OG MET 94.A O no hydrogen 2.865 N/A ASP 99.A N ARG 66.A O no hydrogen 2.980 N/A LEU 100.A N ARG 66.A O no hydrogen 3.121 N/A LEU 101.A N GLN 132.A O no hydrogen 3.143 N/A LEU 102.A N ILE 68.A O no hydrogen 2.999 N/A LEU 103.A N ILE 134.A O no hydrogen 3.126 N/A ASP 104.A N SER 70.A O no hydrogen 3.097 N/A ASP 105.A N ASP 104.A OD1 no hydrogen 2.762 N/A VAL 106.A N ALA 136.A O no hydrogen 2.940 N/A GLN 107.A N GLN 107.A OE1 no hydrogen 2.923 N/A PHE 108.A N ASP 105.A O no hydrogen 3.419 N/A LEU 109.A N VAL 106.A O no hydrogen 2.901 N/A SER 110.A OG GLN 107.A O no hydrogen 3.268 N/A SER 110.A OG ASP 145.A O no hydrogen 2.726 N/A GLY 111.A N GLY 146.A O no hydrogen 3.336 N/A LYS 112.A N LEU 109.A O no hydrogen 3.270 N/A GLN 116.A N LYS 112.A O no hydrogen 3.331 N/A GLN 116.A NE2 LYS 112.A O no hydrogen 3.348 N/A GLN 116.A NE2 GLY 146.A O no hydrogen 2.881 N/A ILE 117.A N GLU 113.A O no hydrogen 2.899 N/A GLU 118.A N ARG 114.A O no hydrogen 2.925 N/A PHE 119.A N THR 115.A O no hydrogen 2.871 N/A PHE 120.A N GLN 116.A O no hydrogen 2.879 N/A HIS 121.A N ILE 117.A O no hydrogen 2.953 N/A ILE 122.A N GLU 118.A O no hydrogen 2.992 N/A PHE 123.A N PHE 119.A O no hydrogen 2.839 N/A ASN 124.A N PHE 120.A O no hydrogen 2.942 N/A THR 125.A N HIS 121.A O no hydrogen 2.958 N/A THR 125.A OG1 HIS 121.A O no hydrogen 3.026 N/A THR 125.A OG1 ILE 122.A O no hydrogen 2.825 N/A LEU 126.A N ILE 122.A O no hydrogen 2.925 N/A TYR 127.A N PHE 123.A O no hydrogen 2.904 N/A LEU 128.A N ASN 124.A O no hydrogen 2.916 N/A LEU 129.A N THR 125.A O no hydrogen 2.932 N/A GLU 130.A N TYR 127.A O no hydrogen 2.951 N/A LYS 131.A N LEU 126.A O no hydrogen 3.032 N/A LYS 131.A NZ ASP 99.A OD1 no hydrogen 3.216 N/A GLN 132.A N ASP 99.A O no hydrogen 3.156 N/A GLN 132.A NE2 TYR 36.A O no hydrogen 3.292 N/A GLN 132.A NE2 ILE 133.A O no hydrogen 3.227 N/A ILE 133.A N ASN 37.A O no hydrogen 3.349 N/A ILE 134.A N LEU 101.A O no hydrogen 3.024 N/A LEU 135.A N ILE 39.A O no hydrogen 2.847 N/A ALA 136.A N LEU 103.A O no hydrogen 3.008 N/A SER 137.A N ILE 41.A O no hydrogen 2.883 N/A SER 137.A OG ARG 139.A O no hydrogen 2.945 N/A ASP 138.A N GLN 107.A OE1 no hydrogen 3.257 N/A ARG 139.A N SER 137.A OG no hydrogen 3.084 N/A ARG 139.A NE ASP 138.A OD1 no hydrogen 3.065 N/A ARG 139.A NH2 ASP 138.A OD2 no hydrogen 3.365 N/A LEU 144.A N PRO 141.A O no hydrogen 3.080 N/A SER 148.A N GLN 116.A OE1 no hydrogen 2.832 N/A VAL 152.A N SER 148.A O no hydrogen 3.161 N/A SER 153.A N ASP 149.A O no hydrogen 2.885 N/A ARG 154.A N ARG 150.A O no hydrogen 2.949 N/A ARG 154.A NE ASN 124.A OD1 no hydrogen 2.881 N/A ARG 154.A NH1 ARG 150.A O no hydrogen 3.063 N/A ARG 154.A NH2 ASN 124.A OD1 no hydrogen 3.453 N/A PHE 155.A N LEU 151.A O no hydrogen 2.882 N/A GLU 156.A N VAL 152.A O no hydrogen 2.923 N/A GLY 157.A N ARG 154.A O no hydrogen 3.158 N/A ILE 159.A N PRO 38.A O no hydrogen 3.191 N/A VAL 161.A N PHE 40.A O no hydrogen 3.251 N/A ILE 163.A N TYR 42.A O no hydrogen 2.989 N/A GLU 164.A N GLY 17.A O no hydrogen 3.208 N/A THR 169.A N ASP 166.A O no hydrogen 3.262 N/A THR 169.A N ASP 166.A OD2 no hydrogen 2.959 N/A THR 169.A OG1 ASP 166.A OD2 no hydrogen 2.577 N/A ARG 170.A N ASP 166.A O no hydrogen 3.089 N/A PHE 171.A N ASN 167.A O no hydrogen 2.913 N/A ILE 173.A N THR 169.A O no hydrogen 2.897 N/A ILE 174.A N ARG 170.A O no hydrogen 2.883 N/A LYS 175.A N PHE 171.A O no hydrogen 2.912 N/A GLU 176.A N LYS 172.A O no hydrogen 2.930 N/A LYS 177.A N ILE 173.A O no hydrogen 2.897 N/A LYS 177.A NZ GLU 204.A OE2 no hydrogen 2.894 N/A LEU 178.A N ILE 174.A O no hydrogen 2.886 N/A LYS 179.A N LYS 175.A O no hydrogen 2.904 N/A LYS 179.A NZ GLU 176.A OE2 no hydrogen 3.212 N/A GLU 180.A N GLU 176.A O no hydrogen 2.845 N/A PHE 181.A N LYS 177.A O no hydrogen 3.056 N/A LEU 183.A N LEU 178.A O no hydrogen 3.100 N/A LEU 183.A N PHE 181.A O no hydrogen 2.554 N/A ARG 186.A NH2 GLU 188.A OE1 no hydrogen 3.200 N/A VAL 189.A N ARG 186.A O no hydrogen 3.244 N/A ILE 190.A N ARG 186.A O no hydrogen 3.034 N/A ASP 191.A N LYS 187.A O no hydrogen 2.676 N/A TYR 192.A N GLU 188.A O no hydrogen 2.950 N/A LEU 193.A N VAL 189.A O no hydrogen 2.873 N/A LEU 194.A N ILE 190.A O no hydrogen 2.904 N/A GLU 195.A N TYR 192.A O no hydrogen 2.894 N/A ASN 196.A N LEU 193.A O no hydrogen 3.088 N/A ASN 196.A ND2 TYR 192.A O no hydrogen 3.057 N/A THR 197.A OG1 LEU 193.A O no hydrogen 2.893 N/A LYS 198.A N GLU 202.A OE2 no hydrogen 3.021 N/A VAL 200.A N GLY 46.A O no hydrogen 3.087 N/A GLU 202.A N ASN 199.A OD1 no hydrogen 3.064 N/A ILE 203.A N ASN 199.A O no hydrogen 3.285 N/A GLU 204.A N VAL 200.A O no hydrogen 2.895 N/A GLY 205.A N ARG 201.A O no hydrogen 2.905 N/A LYS 206.A N GLU 202.A O no hydrogen 2.904 N/A ILE 207.A N ILE 203.A O no hydrogen 2.901 N/A LYS 208.A N GLU 204.A O no hydrogen 2.897 N/A LEU 209.A N GLY 205.A O no hydrogen 2.940 N/A ILE 210.A N LYS 206.A O no hydrogen 2.898 N/A LYS 211.A N ILE 207.A O no hydrogen 2.893 N/A LEU 212.A N LEU 209.A O no hydrogen 3.269 N/A LYS 213.A N LEU 209.A O no hydrogen 2.904 N/A GLY 214.A N ILE 210.A O no hydrogen 2.896 N/A GLU 219.A N PHE 215.A O no hydrogen 2.965 N/A GLU 222.A N LEU 218.A O no hydrogen 2.956 N/A ARG 223.A N GLU 219.A O no hydrogen 2.886 N/A ARG 223.A NH1 GLU 219.A OE2 no hydrogen 3.027 N/A LYS 224.A N ARG 220.A O no hydrogen 2.922 N/A GLU 225.A N LYS 221.A O no hydrogen 2.914 N/A ARG 226.A N GLU 222.A O no hydrogen 2.913 N/A ASP 227.A N ARG 223.A O no hydrogen 2.873 N/A LYS 228.A N LYS 224.A O no hydrogen 2.921 N/A LEU 229.A N ARG 226.A O no hydrogen 3.181 N/A MET 230.A N ASP 227.A O no hydrogen 3.024 N/A PHE 235.A N GLN 231.A O no hydrogen 3.049 N/A ALA 237.A N ILE 232.A O no hydrogen 2.698 N/A TYR 239.A N PHE 235.A O no hydrogen 2.987 N/A TYR 240.A N VAL 236.A O no hydrogen 3.247 N/A VAL 242.A N TYR 240.A O no hydrogen 3.043 N/A ILE 247.A N LYS 243.A O no hydrogen 3.221 N/A LEU 248.A N VAL 244.A O no hydrogen 2.937 N/A LEU 248.A N GLU 245.A O no hydrogen 3.373 N/A SER 249.A N GLU 245.A O no hydrogen 3.329 N/A SER 249.A OG GLU 245.A O no hydrogen 3.253 N/A ARG 259.A N THR 255.A O no hydrogen 3.079 N/A ARG 259.A NH1 LEU 248.A O no hydrogen 3.359 N/A LYS 260.A N SER 256.A O no hydrogen 2.899 N/A ILE 261.A N GLU 257.A O no hydrogen 2.911 N/A ALA 262.A N ALA 258.A O no hydrogen 2.901 N/A MET 263.A N ARG 259.A O no hydrogen 2.878 N/A TYR 264.A N LYS 260.A O no hydrogen 2.936 N/A TYR 264.A OH GLU 311.A OE1 no hydrogen 3.345 N/A LEU 265.A N ILE 261.A O no hydrogen 2.879 N/A CYS 266.A N ALA 262.A O no hydrogen 2.891 N/A CYS 266.A SG LEU 229.A O no hydrogen 3.887 N/A CYS 266.A SG ALA 262.A O no hydrogen 3.339 N/A ARG 267.A N MET 263.A O no hydrogen 2.928 N/A ARG 267.A NH1 ALA 272.A O no hydrogen 3.032 N/A LYS 268.A N TYR 264.A O no hydrogen 2.896 N/A VAL 269.A N LEU 265.A O no hydrogen 2.990 N/A CYS 270.A SG LYS 228.A O no hydrogen 3.638 N/A CYS 270.A SG GLN 231.A OE1 no hydrogen 2.885 N/A SER 271.A OG VAL 269.A O no hydrogen 3.275 N/A ALA 272.A N CYS 266.A O no hydrogen 3.456 N/A SER 273.A N GLU 276.A OE1 no hydrogen 3.224 N/A GLU 276.A N SER 273.A OG no hydrogen 3.219 N/A ILE 277.A N SER 273.A O no hydrogen 2.999 N/A ALA 278.A N LEU 274.A O no hydrogen 2.912 N/A ARG 279.A N ILE 275.A O no hydrogen 2.904 N/A ALA 280.A N GLU 276.A O no hydrogen 2.885 N/A PHE 281.A N ILE 277.A O no hydrogen 2.950 N/A LYS 282.A N ARG 279.A O no hydrogen 3.353 N/A ARG 283.A N ALA 278.A O no hydrogen 3.047 N/A HIS 291.A N THR 287.A O no hydrogen 2.925 N/A ALA 292.A N THR 288.A O no hydrogen 2.903 N/A ILE 293.A N VAL 289.A O no hydrogen 2.911 N/A ARG 294.A N ILE 290.A O no hydrogen 2.931 N/A SER 295.A N HIS 291.A O no hydrogen 2.900 N/A SER 295.A OG HIS 291.A O no hydrogen 2.642 N/A VAL 296.A N ALA 292.A O no hydrogen 2.929 N/A GLU 297.A N ILE 293.A O no hydrogen 2.930 N/A GLU 298.A N ARG 294.A O no hydrogen 2.907 N/A GLU 298.A N SER 295.A O no hydrogen 3.218 N/A GLU 299.A N SER 295.A O no hydrogen 3.329 N/A LYS 300.A NZ TYR 264.A OH no hydrogen 2.977 N/A HIS 305.A N LYS 302.A O no hydrogen 3.154 N/A VAL 307.A N PHE 303.A O no hydrogen 2.903 N/A GLY 308.A N LYS 304.A O no hydrogen 2.900 N/A PHE 309.A N HIS 305.A O no hydrogen 2.915 N/A LEU 310.A N LEU 306.A O no hydrogen 2.923 N/A GLU 311.A N VAL 307.A O no hydrogen 2.868 N/A LYS 312.A N GLY 308.A O no hydrogen 2.908 N/A GLN 313.A N PHE 309.A O no hydrogen 2.929 N/A ALA 314.A N LEU 310.A O no hydrogen 2.897 N/A PHE 315.A N GLU 311.A O no hydrogen 2.888 N/A ASP 316.A N LYS 312.A O no hydrogen 2.927 N/A LYS 317.A N GLN 313.A O no hydrogen 3.156 N/A CYS 319.A SG PHE 315.A O no hydrogen 3.136 N/A