Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u4n_R.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N PHE 1.A O no hydrogen 2.900 N/A LEU 6.A N ASN 2.A O no hydrogen 3.363 N/A THR 8.A N ILE 4.A O no hydrogen 3.472 N/A THR 8.A OG1 ILE 4.A O no hydrogen 2.608 N/A ILE 9.A N PHE 5.A O no hydrogen 2.889 N/A TYR 10.A N LEU 6.A O no hydrogen 2.636 N/A SER 11.A N THR 8.A O no hydrogen 3.308 N/A SER 11.A OG PRO 7.A O no hydrogen 3.152 N/A ILE 12.A N THR 8.A O no hydrogen 3.311 N/A LEU 15.A N SER 11.A O no hydrogen 2.878 N/A THR 16.A N ILE 12.A O no hydrogen 3.038 N/A THR 16.A OG1 ILE 12.A O no hydrogen 2.695 N/A GLY 17.A N ILE 13.A O no hydrogen 2.466 N/A ILE 18.A N PHE 14.A O no hydrogen 2.883 N/A VAL 19.A N LEU 15.A O no hydrogen 3.294 N/A GLY 20.A N THR 16.A O no hydrogen 2.685 N/A ASN 21.A N GLY 17.A O no hydrogen 3.011 N/A ASN 21.A ND2 GLY 17.A O no hydrogen 3.138 N/A ASN 21.A ND2 CYS 260.A O no hydrogen 2.567 N/A GLY 22.A N ILE 18.A O no hydrogen 3.264 N/A LEU 23.A N VAL 19.A O no hydrogen 2.881 N/A VAL 24.A N GLY 20.A O no hydrogen 3.420 N/A ILE 25.A N ASN 21.A O no hydrogen 3.285 N/A LEU 26.A N GLY 22.A O no hydrogen 3.028 N/A VAL 27.A N LEU 23.A O no hydrogen 3.020 N/A MET 28.A N VAL 24.A O no hydrogen 2.973 N/A GLY 29.A N ILE 25.A O no hydrogen 2.620 N/A TYR 30.A N LEU 26.A O no hydrogen 2.747 N/A SER 36.A N ASP 39.A OD2 no hydrogen 3.096 N/A SER 36.A OG ASP 39.A OD2 no hydrogen 2.904 N/A ASP 39.A N SER 36.A O no hydrogen 3.182 N/A LYS 40.A N SER 36.A O no hydrogen 3.324 N/A LYS 40.A NZ GLU 118.A OE2 no hydrogen 2.825 N/A TYR 41.A N MET 37.A O no hydrogen 3.336 N/A ARG 42.A N THR 38.A O no hydrogen 3.020 N/A ARG 42.A NE TYR 267.A O no hydrogen 2.950 N/A ARG 42.A NH2 TYR 267.A O no hydrogen 3.101 N/A LEU 43.A N ASP 39.A O no hydrogen 2.903 N/A HIS 44.A N LYS 40.A O no hydrogen 2.951 N/A LEU 45.A N TYR 41.A O no hydrogen 2.899 N/A SER 46.A N ARG 42.A O no hydrogen 2.893 N/A SER 46.A OG ARG 42.A O no hydrogen 3.202 N/A VAL 47.A N LEU 43.A O no hydrogen 2.984 N/A ALA 48.A N HIS 44.A O no hydrogen 2.981 N/A ASP 49.A N LEU 45.A O no hydrogen 2.910 N/A LEU 50.A N SER 46.A O no hydrogen 2.864 N/A LEU 51.A N VAL 47.A O no hydrogen 2.956 N/A PHE 52.A N ALA 48.A O no hydrogen 3.032 N/A VAL 53.A N ASP 49.A O no hydrogen 2.865 N/A ILE 54.A N LEU 50.A O no hydrogen 2.950 N/A THR 55.A N LEU 51.A O no hydrogen 2.977 N/A THR 55.A OG1 LEU 51.A O no hydrogen 2.785 N/A LEU 56.A N PHE 52.A O no hydrogen 3.075 N/A LEU 56.A N VAL 53.A O no hydrogen 2.984 N/A PHE 58.A N THR 55.A O no hydrogen 3.251 N/A ALA 60.A N LEU 56.A O no hydrogen 2.960 N/A VAL 61.A N PRO 57.A O no hydrogen 2.959 N/A ASP 62.A N PHE 58.A O no hydrogen 2.907 N/A ALA 63.A N TRP 59.A O no hydrogen 2.884 N/A VAL 64.A N ALA 60.A O no hydrogen 2.973 N/A ALA 65.A N VAL 61.A O no hydrogen 2.644 N/A ASN 66.A ND2 ASP 62.A OD1 no hydrogen 3.035 N/A LYS 75.A N ASN 71.A O no hydrogen 3.376 N/A LYS 75.A NZ PHE 137.A O no hydrogen 3.197 N/A LYS 75.A NZ ALA 140.A O no hydrogen 2.334 N/A LYS 75.A NZ ASN 141.A OD1 no hydrogen 2.954 N/A ALA 76.A N PHE 72.A O no hydrogen 2.926 N/A VAL 77.A N LEU 73.A O no hydrogen 2.879 N/A HIS 78.A N CYS 74.A O no hydrogen 2.914 N/A VAL 79.A N LYS 75.A O no hydrogen 2.899 N/A ILE 80.A N ALA 76.A O no hydrogen 2.986 N/A TYR 81.A N VAL 77.A O no hydrogen 2.953 N/A THR 82.A N HIS 78.A O no hydrogen 2.908 N/A THR 82.A OG1 HIS 78.A O no hydrogen 3.066 N/A THR 82.A OG1 ASP 136.A OD1 no hydrogen 2.917 N/A VAL 83.A N VAL 79.A O no hydrogen 2.906 N/A SER 84.A N ILE 80.A O no hydrogen 2.961 N/A SER 84.A OG ILE 80.A O no hydrogen 2.912 N/A SER 84.A OG TYR 81.A O no hydrogen 2.817 N/A LEU 85.A N TYR 81.A O no hydrogen 2.891 N/A TYR 86.A N THR 82.A O no hydrogen 2.994 N/A TYR 86.A OH HIS 168.A ND1 no hydrogen 2.771 N/A SER 87.A N VAL 83.A O no hydrogen 2.914 N/A SER 87.A OG VAL 83.A O no hydrogen 2.639 N/A SER 87.A OG SER 84.A O no hydrogen 3.127 N/A SER 88.A N SER 84.A O no hydrogen 2.932 N/A SER 88.A OG ASP 49.A OD1 no hydrogen 3.232 N/A LEU 90.A N TYR 86.A O no hydrogen 2.999 N/A ILE 91.A N SER 87.A O no hydrogen 2.856 N/A LEU 92.A N SER 88.A O no hydrogen 2.942 N/A ALA 93.A N VAL 89.A O no hydrogen 2.960 N/A PHE 94.A N LEU 90.A O no hydrogen 2.929 N/A ILE 95.A N ILE 91.A O no hydrogen 2.848 N/A SER 96.A N LEU 92.A O no hydrogen 2.939 N/A LEU 97.A N ALA 93.A O no hydrogen 2.941 N/A ASP 98.A N PHE 94.A O no hydrogen 2.895 N/A ARG 99.A N ILE 95.A O no hydrogen 2.906 N/A ARG 99.A NH1 TYR 184.A OH no hydrogen 2.821 N/A TYR 100.A N SER 96.A O no hydrogen 2.931 N/A LEU 101.A N LEU 97.A O no hydrogen 2.944 N/A ALA 102.A N ASP 98.A O no hydrogen 2.899 N/A ILE 103.A N ARG 99.A O no hydrogen 2.923 N/A VAL 104.A N TYR 100.A O no hydrogen 2.894 N/A SER 109.A OG LEU 101.A O no hydrogen 2.823 N/A SER 109.A OG HIS 105.A O no hydrogen 2.334 N/A SER 109.A OG SER 109.A O no hydrogen 2.420 N/A GLN 110.A NE2 THR 107.A O no hydrogen 2.976 N/A ARG 113.A NE ASP 98.A OD1 no hydrogen 2.662 N/A ARG 113.A NH2 ASP 98.A OD1 no hydrogen 3.173 N/A LYS 114.A N ARG 111.A O no hydrogen 3.212 N/A LEU 115.A N ARG 111.A O no hydrogen 2.943 N/A LEU 116.A N PRO 112.A O no hydrogen 2.871 N/A ALA 117.A N ARG 113.A O no hydrogen 2.942 N/A GLU 118.A N LYS 114.A O no hydrogen 2.996 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.862 N/A VAL 120.A N LEU 115.A O no hydrogen 3.366 N/A VAL 121.A N ALA 117.A O no hydrogen 2.942 N/A TYR 122.A N GLU 118.A O no hydrogen 3.195 N/A VAL 123.A N LYS 119.A O no hydrogen 3.073 N/A GLY 124.A N VAL 120.A O no hydrogen 2.830 N/A VAL 125.A N TYR 122.A O no hydrogen 3.398 N/A TRP 126.A N TYR 122.A O no hydrogen 3.082 N/A TRP 126.A NE1 HIS 44.A ND1 no hydrogen 2.998 N/A ILE 127.A N TYR 122.A O no hydrogen 3.339 N/A ALA 129.A N VAL 125.A O no hydrogen 3.370 N/A LEU 130.A N TRP 126.A O no hydrogen 3.284 N/A LEU 131.A N ILE 127.A O no hydrogen 3.039 N/A LEU 132.A N PRO 128.A O no hydrogen 2.920 N/A THR 133.A N ALA 129.A O no hydrogen 2.931 N/A THR 133.A OG1 ALA 129.A O no hydrogen 3.565 N/A THR 133.A OG1 LEU 130.A O no hydrogen 2.326 N/A ILE 134.A N LEU 130.A O no hydrogen 3.057 N/A ILE 134.A N LEU 131.A O no hydrogen 3.081 N/A PHE 137.A N THR 133.A O no hydrogen 2.754 N/A ILE 138.A N ILE 134.A O no hydrogen 3.056 N/A PHE 139.A N PRO 135.A O no hydrogen 2.885 N/A SER 143.A N ILE 150.A O no hydrogen 3.031 N/A ALA 145.A N ARG 148.A O no hydrogen 2.652 N/A ARG 148.A N ALA 145.A O no hydrogen 2.882 N/A ILE 150.A N SER 143.A O no hydrogen 2.928 N/A ARG 153.A NE TYR 155.A OH no hydrogen 2.398 N/A PHE 154.A N PHE 139.A O no hydrogen 2.865 N/A VAL 162.A N ASP 158.A O no hydrogen 2.892 N/A VAL 163.A N LEU 159.A O no hydrogen 2.933 N/A PHE 164.A N TRP 160.A O no hydrogen 2.943 N/A GLN 165.A N VAL 161.A O no hydrogen 2.909 N/A GLN 165.A NE2 ASP 227.A OD2 no hydrogen 3.323 N/A PHE 166.A N VAL 162.A O no hydrogen 2.902 N/A GLN 167.A N VAL 163.A O no hydrogen 2.921 N/A HIS 168.A N PHE 164.A O no hydrogen 2.866 N/A ILE 169.A N GLN 165.A O no hydrogen 2.923 N/A MET 170.A N PHE 166.A O no hydrogen 2.908 N/A VAL 171.A N GLN 167.A O no hydrogen 2.907 N/A GLY 172.A N HIS 168.A O no hydrogen 2.886 N/A LEU 173.A N ILE 169.A O no hydrogen 2.811 N/A ILE 174.A N ILE 169.A O no hydrogen 3.209 N/A ILE 174.A N MET 170.A O no hydrogen 3.130 N/A LEU 175.A N MET 170.A O no hydrogen 3.123 N/A GLY 177.A N LEU 173.A O no hydrogen 3.032 N/A ILE 178.A N ILE 174.A O no hydrogen 2.905 N/A VAL 179.A N LEU 175.A O no hydrogen 3.047 N/A ILE 180.A N PRO 176.A O no hydrogen 2.849 N/A LEU 181.A N GLY 177.A O no hydrogen 2.872 N/A SER 182.A N ILE 178.A O no hydrogen 2.952 N/A SER 182.A OG ILE 178.A O no hydrogen 2.937 N/A SER 182.A OG VAL 179.A O no hydrogen 3.215 N/A CYS 183.A N VAL 179.A O no hydrogen 3.000 N/A CYS 183.A SG VAL 179.A O no hydrogen 3.347 N/A TYR 184.A N ILE 180.A O no hydrogen 2.947 N/A CYS 185.A N LEU 181.A O no hydrogen 2.846 N/A ILE 186.A N SER 182.A O no hydrogen 2.980 N/A ILE 187.A N CYS 183.A O no hydrogen 2.953 N/A ILE 188.A N TYR 184.A O no hydrogen 2.902 N/A SER 189.A N CYS 185.A O no hydrogen 3.193 N/A SER 189.A OG ILE 186.A O no hydrogen 3.077 N/A LYS 190.A N ILE 186.A O no hydrogen 3.450 N/A LEU 191.A N ILE 188.A O no hydrogen 3.041 N/A SER 192.A N SER 189.A O no hydrogen 3.482 N/A SER 192.A OG SER 189.A O no hydrogen 2.752 N/A SER 194.A OG HIS 193.A ND1 no hydrogen 3.340 N/A ARG 200.A N GLY 196.A O no hydrogen 3.041 N/A LYS 201.A N HIS 197.A O no hydrogen 2.958 N/A ALA 202.A N GLN 198.A O no hydrogen 2.917 N/A LEU 203.A N LYS 199.A O no hydrogen 2.888 N/A LYS 204.A N ARG 200.A O no hydrogen 3.005 N/A THR 205.A N LYS 201.A O no hydrogen 2.958 N/A THR 205.A OG1 LYS 201.A O no hydrogen 2.957 N/A THR 206.A N ALA 202.A O no hydrogen 2.889 N/A THR 206.A OG1 ALA 202.A O no hydrogen 2.794 N/A VAL 207.A N LEU 203.A O no hydrogen 2.974 N/A ILE 208.A N LYS 204.A O no hydrogen 2.932 N/A LEU 209.A N THR 205.A O no hydrogen 2.898 N/A ILE 210.A N THR 206.A O no hydrogen 3.007 N/A LEU 211.A N VAL 207.A O no hydrogen 2.956 N/A ALA 212.A N ILE 208.A O no hydrogen 2.831 N/A PHE 213.A N LEU 209.A O no hydrogen 2.984 N/A PHE 214.A N ILE 210.A O no hydrogen 3.027 N/A ALA 215.A N LEU 211.A O no hydrogen 2.836 N/A CYS 216.A N ALA 212.A O no hydrogen 2.914 N/A CYS 216.A SG LEU 255.A O no hydrogen 3.166 N/A CYS 216.A SG ALA 256.A O no hydrogen 3.224 N/A TRP 217.A N PHE 213.A O no hydrogen 2.992 N/A LEU 218.A N PHE 214.A O no hydrogen 2.851 N/A ILE 222.A N LEU 218.A O no hydrogen 2.902 N/A GLY 223.A N PRO 219.A O no hydrogen 2.935 N/A ILE 224.A N TYR 220.A O no hydrogen 2.944 N/A SER 225.A N TYR 221.A O no hydrogen 2.869 N/A SER 225.A OG TYR 221.A O no hydrogen 2.665 N/A ILE 226.A N ILE 222.A O no hydrogen 2.943 N/A ASP 227.A N GLY 223.A O no hydrogen 2.899 N/A SER 228.A N ILE 224.A O no hydrogen 2.894 N/A SER 228.A OG GLN 165.A OE1 no hydrogen 2.367 N/A SER 228.A OG ILE 224.A O no hydrogen 3.099 N/A PHE 229.A N SER 225.A O no hydrogen 2.926 N/A ILE 230.A N ILE 226.A O no hydrogen 2.888 N/A LEU 231.A N ASP 227.A O no hydrogen 2.943 N/A LEU 232.A N SER 228.A O no hydrogen 3.188 N/A LEU 232.A N PHE 229.A O no hydrogen 3.171 N/A GLU 233.A N ILE 230.A O no hydrogen 3.136 N/A CYS 239.A SG ASN 243.A OD1 no hydrogen 3.853 N/A PHE 241.A N GLY 238.A O no hydrogen 2.798 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 2.680 N/A ASN 243.A N CYS 239.A O no hydrogen 2.984 N/A THR 244.A N GLU 240.A O no hydrogen 2.861 N/A VAL 245.A N PHE 241.A O no hydrogen 2.903 N/A HIS 246.A N GLU 242.A O no hydrogen 2.902 N/A HIS 246.A ND1 GLU 242.A O no hydrogen 3.073 N/A LYS 247.A N ASN 243.A O no hydrogen 2.934 N/A TRP 248.A N THR 244.A O no hydrogen 2.859 N/A ILE 249.A N VAL 245.A O no hydrogen 2.915 N/A SER 250.A N HIS 246.A O no hydrogen 2.925 N/A SER 250.A OG HIS 246.A O no hydrogen 3.327 N/A SER 250.A OG LYS 247.A O no hydrogen 2.870 N/A ILE 251.A N LYS 247.A O no hydrogen 2.925 N/A ILE 251.A N TRP 248.A O no hydrogen 3.234 N/A THR 252.A N TRP 248.A O no hydrogen 2.915 N/A THR 252.A OG1 TRP 248.A O no hydrogen 3.180 N/A GLU 253.A N ILE 249.A O no hydrogen 2.908 N/A ALA 256.A N THR 252.A O no hydrogen 2.937 N/A PHE 257.A N GLU 253.A O no hydrogen 2.864 N/A PHE 258.A N ALA 254.A O no hydrogen 2.975 N/A PHE 258.A N LEU 255.A O no hydrogen 3.227 N/A HIS 259.A N ALA 256.A O no hydrogen 3.094 N/A HIS 259.A ND1 ALA 256.A O no hydrogen 2.976 N/A CYS 260.A N PHE 257.A O no hydrogen 3.344 N/A CYS 260.A SG PHE 257.A O no hydrogen 3.156 N/A CYS 261.A N PHE 258.A O no hydrogen 3.276 N/A CYS 261.A SG PHE 258.A O no hydrogen 3.120 N/A LEU 262.A N PHE 258.A O no hydrogen 2.941 N/A ASN 263.A N HIS 259.A O no hydrogen 2.893 N/A ASN 263.A ND2 ASP 49.A OD2 no hydrogen 3.303 N/A LEU 266.A N LEU 262.A O no hydrogen 3.006 N/A TYR 267.A N ASN 263.A O no hydrogen 2.902 N/A ALA 268.A N PRO 264.A O no hydrogen 3.142 N/A PHE 269.A N PRO 264.A O no hydrogen 2.875 N/A LEU 270.A N ILE 265.A O no hydrogen 3.001 N/A LYS 275.A N GLY 271.A O no hydrogen 3.170 N/A THR 276.A N ALA 272.A O no hydrogen 2.935 N/A THR 276.A OG1 ALA 272.A O no hydrogen 3.443 N/A SER 277.A N LYS 273.A O no hydrogen 2.924 N/A ALA 278.A N PHE 274.A O no hydrogen 2.856 N/A GLN 279.A N LYS 275.A O no hydrogen 2.904 N/A HIS 280.A N THR 276.A O no hydrogen 2.985 N/A ALA 281.A N SER 277.A O no hydrogen 2.913 N/A LEU 282.A N ALA 278.A O no hydrogen 2.899 N/A THR 283.A N GLN 279.A O no hydrogen 3.335 N/A THR 283.A OG1 HIS 280.A O no hydrogen 3.062 N/A