Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6s5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N HIS 299.A O no hydrogen 3.251 N/A GLU 6.A N ILE 297.A O no hydrogen 2.894 N/A ILE 8.A N VAL 295.A O no hydrogen 2.851 N/A GLY 14.A N HIS 292.A O no hydrogen 2.998 N/A ASN 16.A N SER 29.A O no hydrogen 3.362 N/A TYR 18.A OH VAL 287.A O no hydrogen 2.905 N/A ALA 19.A N TYR 27.A O no hydrogen 3.222 N/A ASP 21.A N GLU 25.A O no hydrogen 3.209 N/A ASP 23.A N ASP 21.A OD1 no hydrogen 2.967 N/A GLY 24.A N ASP 21.A O no hydrogen 3.048 N/A GLU 25.A N ASP 21.A OD1 no hydrogen 2.929 N/A TYR 27.A N ALA 19.A O no hydrogen 2.969 N/A TYR 27.A OH ASP 21.A OD2 no hydrogen 2.631 N/A ALA 28.A N ILE 36.A O no hydrogen 2.931 N/A SER 29.A N ALA 17.A O no hydrogen 3.307 N/A SER 29.A OG ASN 16.A OD1 no hydrogen 2.720 N/A SER 29.A OG VAL 75.A O no hydrogen 3.557 N/A VAL 30.A N ARG 34.A O no hydrogen 3.111 N/A GLU 31.A N TYR 13.A O no hydrogen 2.864 N/A ASP 32.A N SER 12.A OG no hydrogen 3.189 N/A GLY 33.A N VAL 30.A O no hydrogen 3.353 N/A ARG 34.A N ASP 32.A OD1 no hydrogen 3.248 N/A ARG 34.A NE ASP 32.A OD1 no hydrogen 3.254 N/A ARG 34.A NE ASP 32.A OD2 no hydrogen 3.106 N/A ARG 34.A NH2 ASP 32.A OD2 no hydrogen 2.849 N/A ILE 35.A N ALA 49.A O no hydrogen 2.907 N/A ILE 36.A N ALA 28.A O no hydrogen 2.805 N/A LYS 37.A N LEU 46.A O no hydrogen 2.898 N/A LYS 37.A NZ TYR 27.A OH no hydrogen 3.342 N/A TYR 38.A N LEU 26.A O no hydrogen 2.859 N/A TYR 38.A OH ASN 43.A OD1 no hydrogen 2.626 N/A ASP 39.A N LYS 44.A O no hydrogen 2.868 N/A SER 42.A N ASP 39.A OD2 no hydrogen 3.089 N/A SER 42.A OG ASP 39.A O no hydrogen 3.563 N/A SER 42.A OG ASP 39.A OD2 no hydrogen 2.343 N/A ASN 43.A N LYS 40.A O no hydrogen 2.974 N/A LYS 44.A N ASP 39.A O no hydrogen 3.291 N/A LEU 46.A N LYS 37.A O no hydrogen 2.999 N/A HIS 48.A N ILE 35.A O no hydrogen 2.980 N/A ALA 49.A N ILE 35.A O no hydrogen 3.123 N/A VAL 50.A N GLY 104.A O no hydrogen 2.995 N/A SER 52.A OG LEU 71.A O no hydrogen 2.745 N/A ILE 54.A N SER 52.A OG no hydrogen 3.332 N/A TRP 55.A N SER 52.A O no hydrogen 3.493 N/A TRP 55.A NE1 ASP 32.A O no hydrogen 2.959 N/A ASN 56.A ND2 ILE 54.A O no hydrogen 3.196 N/A LEU 59.A N ASN 56.A O no hydrogen 3.126 N/A LEU 59.A N ASN 56.A OD1 no hydrogen 2.949 N/A CYS 60.A N ASN 56.A O no hydrogen 3.032 N/A GLU 61.A N ASN 57.A O no hydrogen 2.875 N/A ASN 62.A N ASP 32.A OD2 no hydrogen 2.901 N/A ASN 63.A N CYS 60.A O no hydrogen 2.945 N/A ASN 63.A ND2 ASN 65.A O no hydrogen 3.486 N/A ASN 65.A N ASN 63.A OD1 no hydrogen 2.896 N/A ASP 67.A N ASN 65.A OD1 no hydrogen 3.048 N/A LEU 68.A N ASN 65.A O no hydrogen 2.944 N/A LYS 69.A N GLN 66.A O no hydrogen 3.117 N/A LYS 69.A NZ GLU 31.A OE2 no hydrogen 2.695 N/A LYS 69.A NZ GLN 66.A OE1 no hydrogen 3.424 N/A LYS 69.A NZ ASP 144.A OD2 no hydrogen 2.922 N/A LEU 71.A N LEU 68.A O no hydrogen 2.964 N/A CYS 72.A N LEU 68.A O no hydrogen 2.902 N/A CYS 72.A SG LEU 59.A O no hydrogen 3.906 N/A GLY 73.A N LYS 69.A O no hydrogen 2.824 N/A ARG 74.A N ASP 91.A OD2 no hydrogen 3.017 N/A ARG 74.A NE GLU 31.A OE1 no hydrogen 3.044 N/A ARG 74.A NH1 ASN 16.A OD1 no hydrogen 3.007 N/A ARG 74.A NH1 VAL 75.A O no hydrogen 2.813 N/A ARG 74.A NH2 GLY 14.A O no hydrogen 2.986 N/A ARG 74.A NH2 GLU 31.A OE1 no hydrogen 3.159 N/A TYR 76.A N ALA 90.A O no hydrogen 3.150 N/A TYR 76.A OH ASP 144.A OD2 no hydrogen 2.552 N/A PHE 78.A N ASP 77.A OD1 no hydrogen 2.850 N/A GLY 79.A N TYR 88.A O no hydrogen 3.028 N/A HIS 81.A N ARG 86.A O no hydrogen 2.827 N/A TYR 82.A N GLN 128.A OE1 no hydrogen 3.307 N/A TYR 82.A OH PHE 20.A O no hydrogen 2.892 N/A THR 84.A OG1 HIS 81.A O no hydrogen 3.444 N/A GLN 85.A N TYR 82.A O no hydrogen 3.159 N/A ARG 86.A N HIS 81.A O no hydrogen 3.159 N/A ARG 86.A NH1 TYR 88.A OH no hydrogen 3.045 N/A LEU 87.A N VAL 99.A O no hydrogen 2.992 N/A TYR 88.A N GLY 79.A O no hydrogen 2.862 N/A ILE 89.A N GLY 97.A O no hydrogen 2.957 N/A ALA 90.A N ASP 77.A O no hydrogen 2.937 N/A ASP 91.A N GLY 95.A O no hydrogen 2.952 N/A CYS 92.A N ARG 74.A O no hydrogen 2.941 N/A CYS 92.A SG LYS 119.A O no hydrogen 3.560 N/A TYR 93.A N ASP 91.A OD1 no hydrogen 2.809 N/A TYR 93.A OH ASP 144.A OD1 no hydrogen 2.530 N/A PHE 94.A N ASP 91.A OD1 no hydrogen 2.950 N/A GLY 95.A N ASP 91.A O no hydrogen 3.087 N/A LEU 96.A N ALA 110.A O no hydrogen 3.004 N/A GLY 97.A N ILE 89.A O no hydrogen 3.013 N/A PHE 98.A N ILE 107.A O no hydrogen 2.949 N/A VAL 99.A N LEU 87.A O no hydrogen 3.068 N/A GLY 103.A N GLY 100.A O no hydrogen 3.152 N/A GLY 104.A N HIS 48.A O no hydrogen 2.958 N/A HIS 105.A ND1 SER 52.A O no hydrogen 3.008 N/A ALA 106.A N VAL 50.A O no hydrogen 2.881 N/A ILE 107.A N PHE 98.A O no hydrogen 2.892 N/A GLN 108.A NE2 PHE 94.A O no hydrogen 2.773 N/A LEU 109.A N LEU 96.A O no hydrogen 2.798 N/A ALA 110.A N LEU 96.A O no hydrogen 3.176 N/A THR 111.A OG1 GLU 117.A OE2 no hydrogen 3.383 N/A GLY 113.A N VAL 116.A O no hydrogen 3.032 N/A VAL 116.A N GLY 113.A O no hydrogen 2.983 N/A PHE 118.A N THR 111.A O no hydrogen 2.915 N/A LYS 119.A N ASP 137.A OD1 no hydrogen 3.128 N/A TRP 120.A N ASP 137.A OD1 no hydrogen 3.152 N/A TYR 122.A N THR 136.A O no hydrogen 3.137 N/A TYR 122.A OH GLU 276.A OE1 no hydrogen 2.629 N/A LEU 124.A N ASP 77.A OD2 no hydrogen 3.046 N/A ALA 125.A N TYR 134.A O no hydrogen 2.851 N/A ASP 127.A N PHE 132.A O no hydrogen 2.950 N/A GLN 128.A NE2 PHE 80.A O no hydrogen 3.048 N/A GLN 129.A N ASP 127.A OD1 no hydrogen 3.012 N/A ALA 130.A N ASP 127.A OD1 no hydrogen 2.953 N/A GLY 131.A N ASP 127.A O no hydrogen 2.791 N/A VAL 133.A N TYR 163.A O no hydrogen 2.919 N/A TYR 134.A N ALA 125.A O no hydrogen 2.882 N/A VAL 135.A N ILE 161.A O no hydrogen 2.991 N/A THR 136.A N ALA 123.A O no hydrogen 3.211 N/A THR 136.A OG1 GLY 181.A O no hydrogen 3.499 N/A ASP 137.A N ARG 159.A O no hydrogen 3.090 N/A VAL 138.A N TRP 120.A O no hydrogen 3.037 N/A SER 139.A OG ASP 155.A OD2 no hydrogen 2.535 N/A THR 140.A N THR 157.A OG1 no hydrogen 3.086 N/A LYS 141.A N SER 139.A OG no hydrogen 3.118 N/A TYR 142.A N SER 139.A OG no hydrogen 3.330 N/A ARG 145.A N ASP 143.A OD1 no hydrogen 3.125 N/A ARG 145.A NE ASP 143.A OD1 no hydrogen 3.309 N/A ARG 145.A NE ASP 143.A OD2 no hydrogen 3.262 N/A ARG 145.A NH1 ASP 143.A OD2 no hydrogen 2.929 N/A GLY 146.A N ASP 143.A O no hydrogen 3.040 N/A ASP 149.A N GLY 146.A O no hydrogen 3.010 N/A ILE 150.A N GLY 146.A O no hydrogen 3.008 N/A ILE 151.A N VAL 147.A O no hydrogen 3.269 N/A ARG 152.A N GLN 148.A O no hydrogen 2.974 N/A ILE 153.A N ASP 149.A O no hydrogen 3.060 N/A ASN 154.A N ILE 151.A O no hydrogen 3.139 N/A ASP 155.A N ILE 150.A O no hydrogen 2.978 N/A THR 156.A OG1 THR 156.A O no hydrogen 2.365 N/A THR 156.A OG1 GLY 176.A O no hydrogen 3.325 N/A THR 157.A N ASP 155.A OD1 no hydrogen 2.847 N/A THR 157.A OG1 THR 140.A OG1 no hydrogen 3.139 N/A THR 157.A OG1 ASP 155.A OD1 no hydrogen 2.541 N/A THR 157.A OG1 ASP 155.A OD2 no hydrogen 3.560 N/A GLY 158.A N LEU 177.A O no hydrogen 2.968 N/A ARG 159.A N ASP 137.A O no hydrogen 3.028 N/A ARG 159.A NH1 GLY 113.A O no hydrogen 2.952 N/A ARG 159.A NH1 VAL 116.A O no hydrogen 3.384 N/A ARG 159.A NH2 VAL 116.A O no hydrogen 3.217 N/A ARG 159.A NH2 ASP 137.A OD2 no hydrogen 2.731 N/A LEU 160.A N MET 174.A O no hydrogen 2.974 N/A ILE 161.A N VAL 135.A O no hydrogen 2.879 N/A LYS 162.A N THR 171.A O no hydrogen 2.735 N/A TYR 163.A N VAL 133.A O no hydrogen 2.747 N/A ASP 164.A N GLU 169.A O no hydrogen 3.063 N/A SER 166.A N ASP 164.A OD1 no hydrogen 3.081 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.625 N/A SER 166.A OG ASP 164.A OD2 no hydrogen 3.294 N/A THR 167.A N ASP 164.A O no hydrogen 3.318 N/A GLU 168.A N ASP 164.A O no hydrogen 2.657 N/A GLU 169.A N THR 167.A OG1 no hydrogen 3.256 N/A THR 171.A N LYS 162.A O no hydrogen 2.959 N/A LEU 173.A N LEU 160.A O no hydrogen 2.755 N/A MET 174.A N LEU 160.A O no hydrogen 3.366 N/A LYS 175.A NZ ASP 114.A OD2 no hydrogen 3.438 N/A LEU 177.A N GLY 158.A O no hydrogen 2.965 N/A ASN 178.A N GLU 196.A OE1 no hydrogen 2.988 N/A ASN 178.A ND2 SER 199.A OG no hydrogen 2.846 N/A GLY 181.A N GLY 195.A O no hydrogen 2.921 N/A GLY 182.A N GLY 225.A O no hydrogen 3.310 N/A THR 183.A OG1 LEU 193.A O no hydrogen 2.865 N/A GLU 184.A N LEU 193.A O no hydrogen 3.281 N/A VAL 185.A N GLU 184.A OE2 no hydrogen 2.942 N/A SER 186.A N PHE 191.A O no hydrogen 3.044 N/A SER 186.A OG ASP 188.A OD1 no hydrogen 2.740 N/A SER 186.A OG PHE 191.A O no hydrogen 3.549 N/A GLY 189.A N SER 186.A O no hydrogen 3.275 N/A SER 190.A N SER 186.A OG no hydrogen 3.084 N/A SER 190.A N ASP 188.A OD1 no hydrogen 2.900 N/A SER 190.A OG ASP 188.A OD1 no hydrogen 2.797 N/A SER 190.A OG ASP 188.A OD2 no hydrogen 3.520 N/A VAL 192.A N TYR 205.A O no hydrogen 2.882 N/A LEU 193.A N GLU 184.A O no hydrogen 2.829 N/A VAL 194.A N LEU 203.A O no hydrogen 2.928 N/A GLY 195.A N GLY 182.A O no hydrogen 3.053 N/A GLU 196.A N ARG 201.A O no hydrogen 2.987 N/A PHE 197.A N ILE 179.A O no hydrogen 2.934 N/A SER 199.A OG GLU 196.A OE2 no hydrogen 2.768 N/A HIS 200.A N GLU 196.A O no hydrogen 3.166 N/A ARG 201.A NH1 HIS 200.A O no hydrogen 2.969 N/A ILE 202.A N LEU 219.A O no hydrogen 2.877 N/A LEU 203.A N VAL 194.A O no hydrogen 2.715 N/A LYS 204.A N GLU 216.A O no hydrogen 2.908 N/A LYS 204.A NZ GLU 256.A O no hydrogen 2.867 N/A TYR 205.A N VAL 192.A O no hydrogen 2.802 N/A TRP 206.A N THR 214.A O no hydrogen 3.051 N/A LEU 207.A N SER 190.A O no hydrogen 2.769 N/A LYS 208.A N SER 190.A O no hydrogen 3.114 N/A ALA 212.A N GLY 209.A O no hydrogen 3.206 N/A ASN 213.A N TRP 206.A O no hydrogen 2.880 N/A THR 214.A N LYS 211.A O no hydrogen 3.154 N/A GLU 216.A N LYS 204.A O no hydrogen 2.924 N/A LEU 218.A N ILE 202.A O no hydrogen 2.867 N/A LEU 219.A N ILE 202.A O no hydrogen 3.362 N/A VAL 221.A N HIS 200.A O no hydrogen 3.121 N/A ARG 222.A NE ASP 241.A OD1 no hydrogen 3.154 N/A ARG 222.A NH2 ASN 242.A O no hydrogen 2.909 N/A GLY 225.A N ALA 238.A O no hydrogen 2.777 N/A ASN 226.A N GLU 276.A O no hydrogen 2.855 N/A LYS 228.A N TRP 236.A O no hydrogen 2.932 N/A LYS 228.A NZ ASP 77.A OD2 no hydrogen 3.093 N/A LYS 228.A NZ LEU 124.A O no hydrogen 3.308 N/A ARG 229.A N GLU 184.A OE1 no hydrogen 2.871 N/A ARG 229.A NH1 VAL 185.A O no hydrogen 2.907 N/A THR 230.A N ASP 234.A O no hydrogen 2.927 N/A THR 230.A OG1 ASP 234.A O no hydrogen 3.426 N/A THR 230.A OG1 ASP 234.A OD1 no hydrogen 2.487 N/A ASP 232.A N THR 230.A OG1 no hydrogen 3.232 N/A GLY 233.A N THR 230.A O no hydrogen 3.112 N/A PHE 235.A N PHE 254.A O no hydrogen 2.949 N/A TRP 236.A N LYS 228.A O no hydrogen 3.050 N/A TRP 236.A NE1 GLU 280.A OE1 no hydrogen 2.978 N/A VAL 237.A N ILE 252.A O no hydrogen 2.978 N/A ALA 238.A N ASN 226.A O no hydrogen 3.349 N/A SER 239.A N ARG 250.A O no hydrogen 2.847 N/A SER 239.A OG ARG 222.A O no hydrogen 2.654 N/A SER 240.A N GLY 223.A O no hydrogen 3.089 N/A ASP 241.A N THR 248.A O no hydrogen 3.173 N/A ASN 243.A N THR 246.A O no hydrogen 3.267 N/A THR 248.A N ASP 241.A O no hydrogen 2.867 N/A THR 248.A OG1 ASP 241.A O no hydrogen 3.347 N/A ARG 250.A N SER 239.A O no hydrogen 2.890 N/A ARG 250.A NH1 ASP 241.A OD2 no hydrogen 3.003 N/A GLY 251.A N VAL 264.A O no hydrogen 2.893 N/A ILE 252.A N VAL 237.A O no hydrogen 2.997 N/A ARG 253.A N GLU 262.A O no hydrogen 2.971 N/A ARG 253.A NE ASP 234.A OD2 no hydrogen 2.692 N/A ARG 253.A NH1 GLU 262.A OE2 no hydrogen 2.958 N/A ARG 253.A NH2 ASP 234.A OD2 no hydrogen 2.854 N/A PHE 254.A N PHE 235.A O no hydrogen 2.949 N/A ASP 255.A N ASN 259.A O no hydrogen 3.173 N/A PHE 257.A N ASP 255.A OD1 no hydrogen 3.014 N/A GLY 258.A N ASP 255.A O no hydrogen 2.931 N/A ASN 259.A N ASP 255.A OD1 no hydrogen 2.927 N/A LEU 261.A N ARG 253.A O no hydrogen 2.732 N/A GLU 262.A N ARG 253.A O no hydrogen 3.358 N/A VAL 264.A N GLY 251.A O no hydrogen 2.886 N/A ILE 266.A N PRO 249.A O no hydrogen 3.117 N/A TYR 270.A N PRO 267.A O no hydrogen 3.251 N/A GLU 273.A N TYR 270.A O no hydrogen 2.929 N/A ILE 275.A N SER 240.A OG no hydrogen 3.101 N/A GLU 276.A N GLY 288.A O no hydrogen 2.837 N/A GLN 277.A N GLY 288.A O no hydrogen 3.291 N/A GLN 279.A N PHE 286.A O no hydrogen 3.022 N/A HIS 281.A N ALA 284.A O no hydrogen 2.948 N/A ALA 284.A N HIS 281.A O no hydrogen 3.068 N/A LEU 285.A N LEU 298.A O no hydrogen 3.060 N/A PHE 286.A N GLN 279.A O no hydrogen 2.808 N/A VAL 287.A N GLY 296.A O no hydrogen 2.981 N/A GLY 288.A N GLN 277.A O no hydrogen 2.856 N/A SER 289.A N PRO 15.A O no hydrogen 3.075 N/A PHE 291.A N SER 289.A OG no hydrogen 3.131 N/A HIS 292.A NE2 GLU 273.A OE2 no hydrogen 2.813 N/A VAL 295.A N ILE 8.A O no hydrogen 3.006 N/A ILE 297.A N GLU 6.A O no hydrogen 2.832 N/A LEU 298.A N LEU 285.A O no hydrogen 2.910 N/A HIS 299.A N PHE 4.A O no hydrogen 2.874 N/A HIS 299.A NE2 GLU 6.A OE1 no hydrogen 2.943 N/A