Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 GLN 77.A OE1 no hydrogen 2.908 N/A ARG 5.A NH2 GLN 77.A OE1 no hydrogen 2.732 N/A ASP 6.A N VAL 3.A O no hydrogen 3.052 N/A ILE 7.A N ALA 4.A O no hydrogen 3.001 N/A THR 8.A N SER 25.A O no hydrogen 2.994 N/A LEU 10.A N ARG 23.A O no hydrogen 2.871 N/A GLU 11.A N ARG 23.A O no hydrogen 3.340 N/A CYS 12.A SG GLY 14.A O no hydrogen 3.312 N/A CYS 12.A SG VAL 21.A O no hydrogen 3.759 N/A VAL 13.A N VAL 21.A O no hydrogen 2.784 N/A GLY 14.A N VAL 21.A O no hydrogen 3.172 N/A LYS 15.A NZ GLU 20.A OE2 no hydrogen 2.673 N/A GLY 16.A N GLY 19.A O no hydrogen 2.879 N/A GLU 20.A N ILE 35.A O no hydrogen 2.922 N/A VAL 21.A N GLY 14.A O no hydrogen 2.870 N/A TRP 22.A N VAL 33.A O no hydrogen 2.873 N/A TRP 22.A NE1 GLU 20.A OE1 no hydrogen 2.972 N/A ARG 23.A N GLU 11.A O no hydrogen 2.823 N/A ARG 23.A NE GLU 11.A OE2 no hydrogen 2.897 N/A ARG 23.A NH1 ASN 30.A OD1 no hydrogen 2.970 N/A ARG 23.A NH2 GLU 11.A OE2 no hydrogen 3.086 N/A GLY 24.A N VAL 31.A O no hydrogen 2.862 N/A SER 25.A N THR 8.A O no hydrogen 2.865 N/A TRP 26.A N GLU 29.A O no hydrogen 2.914 N/A TRP 26.A NE1 THR 2.A OG1 no hydrogen 2.699 N/A GLU 29.A N TRP 26.A O no hydrogen 3.122 N/A VAL 31.A N GLY 24.A O no hydrogen 2.895 N/A ALA 32.A N THR 82.A O no hydrogen 2.869 N/A VAL 33.A N TRP 22.A O no hydrogen 2.827 N/A LYS 34.A N LEU 80.A O no hydrogen 2.816 N/A ILE 35.A N GLU 20.A O no hydrogen 2.732 N/A PHE 36.A N LEU 78.A O no hydrogen 3.047 N/A SER 37.A N TYR 18.A O no hydrogen 2.812 N/A ARG 39.A N SER 37.A OG no hydrogen 2.942 N/A ASP 40.A N SER 37.A O no hydrogen 2.787 N/A GLU 41.A N SER 38.A O no hydrogen 3.333 N/A SER 43.A N ASP 40.A O no hydrogen 3.072 N/A SER 43.A OG ASP 40.A OD1 no hydrogen 2.525 N/A SER 43.A OG ASP 40.A OD2 no hydrogen 3.358 N/A TRP 44.A N ASP 40.A O no hydrogen 3.356 N/A TRP 44.A NE1 TRP 79.A O no hydrogen 3.119 N/A PHE 45.A N GLU 41.A O no hydrogen 3.058 N/A ARG 46.A N LYS 42.A O no hydrogen 3.044 N/A ARG 46.A NE ALA 157.A O no hydrogen 2.908 N/A ARG 46.A NH1 ASP 168.A OD1 no hydrogen 2.980 N/A ARG 46.A NH2 ALA 157.A O no hydrogen 2.900 N/A ARG 46.A NH2 ASP 168.A O no hydrogen 2.876 N/A ARG 46.A NH2 ASP 168.A OD1 no hydrogen 3.169 N/A GLU 47.A N SER 43.A O no hydrogen 3.007 N/A THR 48.A N TRP 44.A O no hydrogen 3.004 N/A THR 48.A OG1 TRP 44.A O no hydrogen 2.824 N/A THR 48.A OG1 SER 67.A OG no hydrogen 2.734 N/A GLU 49.A N PHE 45.A O no hydrogen 2.869 N/A LEU 50.A N ARG 46.A O no hydrogen 2.922 N/A TYR 51.A N GLU 47.A O no hydrogen 2.875 N/A TYR 51.A OH LEU 62.A O no hydrogen 2.807 N/A ASN 52.A N THR 48.A O no hydrogen 2.749 N/A THR 53.A N GLU 49.A O no hydrogen 2.760 N/A THR 53.A OG1 GLU 49.A O no hydrogen 2.674 N/A VAL 54.A N LEU 50.A O no hydrogen 3.040 N/A MET 55.A N LEU 50.A O no hydrogen 3.148 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 2.980 N/A ASN 60.A ND2 GLN 148.A OE1.A no hydrogen 3.111 N/A ASN 60.A ND2 GLN 148.A OE1.B no hydrogen 2.999 N/A ASN 60.A ND2 CYS 149.A O no hydrogen 2.929 N/A ILE 61.A N HIS 58.A O no hydrogen 3.029 N/A LEU 62.A N ILE 151.A O no hydrogen 2.869 N/A ILE 65.A N ILE 81.A O no hydrogen 2.868 N/A ALA 66.A N ILE 81.A O no hydrogen 3.120 N/A SER 67.A OG THR 48.A OG1 no hydrogen 2.734 N/A SER 67.A OG TRP 79.A O no hydrogen 3.365 N/A ASP 68.A N TRP 79.A O no hydrogen 3.041 N/A THR 70.A N GLN 77.A O no hydrogen 3.158 N/A SER 71.A OG SER 75.A O no hydrogen 3.438 N/A SER 71.A OG THR 76.A OG1 no hydrogen 2.674 N/A ARG 72.A N SER 75.A O no hydrogen 2.896 N/A ARG 72.A NH1 HIS 73.A NE2 no hydrogen 3.451 N/A SER 75.A N ARG 72.A O no hydrogen 2.792 N/A THR 76.A OG1 SER 71.A OG no hydrogen 2.674 N/A GLN 77.A N THR 70.A O no hydrogen 2.821 N/A TRP 79.A N ASP 68.A O no hydrogen 2.834 N/A LEU 80.A N LYS 34.A O no hydrogen 2.844 N/A ILE 81.A N ALA 66.A O no hydrogen 2.796 N/A THR 82.A N ALA 32.A O no hydrogen 2.821 N/A THR 82.A OG1 HIS 83.A O no hydrogen 2.930 N/A HIS 83.A N GLY 63.A O no hydrogen 2.898 N/A GLY 88.A N HIS 85.A O no hydrogen 2.872 N/A SER 89.A N ASP 92.A OD2 no hydrogen 3.287 N/A LEU 90.A N ILE 141.A O no hydrogen 2.716 N/A TYR 91.A N SER 138.A O no hydrogen 3.181 N/A ASP 92.A N SER 89.A OG no hydrogen 3.092 N/A TYR 93.A N SER 89.A O no hydrogen 3.003 N/A LEU 94.A N LEU 90.A O no hydrogen 2.981 N/A GLN 95.A N ASP 92.A O no hydrogen 3.349 N/A GLN 95.A NE2 TYR 91.A O no hydrogen 2.948 N/A THR 97.A N TYR 93.A O no hydrogen 3.409 N/A THR 97.A OG1 TYR 93.A O no hydrogen 2.769 N/A LEU 99.A N ARG 216.A O no hydrogen 2.767 N/A ASP 100.A N SER 103.A OG no hydrogen 3.152 N/A SER 103.A N ASP 100.A OD1 no hydrogen 2.821 N/A SER 103.A OG ASP 100.A O no hydrogen 3.335 N/A SER 103.A OG ASP 100.A OD1 no hydrogen 3.118 N/A CYS 104.A N ASP 100.A O no hydrogen 2.988 N/A LEU 105.A N THR 101.A O no hydrogen 3.053 N/A ARG 106.A N VAL 102.A O no hydrogen 2.951 N/A ILE 107.A N SER 103.A O no hydrogen 3.098 N/A VAL 108.A N CYS 104.A O no hydrogen 3.015 N/A LEU 109.A N LEU 105.A O no hydrogen 2.870 N/A SER 110.A N ARG 106.A O no hydrogen 3.079 N/A SER 110.A OG ARG 106.A O no hydrogen 3.075 N/A SER 110.A OG ILE 107.A O no hydrogen 2.870 N/A ILE 111.A N ILE 107.A O no hydrogen 3.171 N/A ALA 112.A N VAL 108.A O no hydrogen 2.980 N/A SER 113.A N LEU 109.A O no hydrogen 2.798 N/A SER 113.A OG.A LEU 109.A O no hydrogen 2.903 N/A GLY 114.A N SER 110.A O no hydrogen 2.894 N/A LEU 115.A N ILE 111.A O no hydrogen 2.903 N/A ALA 116.A N ALA 112.A O no hydrogen 2.810 N/A HIS 117.A N SER 113.A O no hydrogen 2.937 N/A LEU 118.A N GLY 114.A O no hydrogen 2.985 N/A HIS 119.A N LEU 115.A O no hydrogen 2.908 N/A HIS 119.A NE2 ASP 202.A OD2 no hydrogen 2.834 N/A ILE 120.A N ALA 116.A O no hydrogen 3.110 N/A ILE 122.A N LYS 128.A O no hydrogen 2.942 N/A GLY 127.A N GLY 124.A O no hydrogen 2.823 N/A LYS 128.A N ILE 122.A O no hydrogen 2.920 N/A LYS 128.A NZ HIS 117.A O no hydrogen 3.088 N/A LYS 128.A NZ LEU 118.A O no hydrogen 2.860 N/A LYS 128.A NZ ILE 120.A O no hydrogen 2.720 N/A LYS 128.A NZ PRO 129.A O no hydrogen 2.648 N/A ALA 130.A N HIS 160.A O no hydrogen 2.901 N/A ILE 131.A N LEU 118.A O no hydrogen 2.884 N/A ALA 132.A N VAL 158.A O no hydrogen 2.789 N/A HIS 133.A N ASP 202.A OD2 no hydrogen 2.777 N/A HIS 133.A NE2 ALA 152.A O no hydrogen 2.833 N/A ARG 134.A N ASP 202.A OD1 no hydrogen 2.808 N/A ARG 134.A NH1 LEU 156.A O no hydrogen 3.054 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 2.996 N/A LYS 137.A NZ THR 177.A OG1 no hydrogen 2.944 N/A SER 138.A OG TYR 180.A OH no hydrogen 3.215 N/A SER 138.A OG GLU 212.A OE1 no hydrogen 2.695 N/A SER 138.A OG GLU 212.A OE2 no hydrogen 3.484 N/A ASN 140.A N LYS 137.A O no hydrogen 3.072 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.772 N/A ILE 141.A N SER 138.A O no hydrogen 3.455 N/A LEU 142.A N CYS 150.A O no hydrogen 2.843 N/A VAL 143.A N GLY 88.A O no hydrogen 3.012 N/A LYS 144.A N GLN 148.A O no hydrogen 2.921 N/A LYS 144.A NZ GLU 59.A O no hydrogen 2.701 N/A GLY 147.A N LYS 144.A O no hydrogen 3.097 N/A GLN 148.A N ASN 146.A OD1 no hydrogen 2.937 N/A CYS 149.A N SER 110.A OG no hydrogen 2.826 N/A CYS 150.A N LEU 142.A O no hydrogen 2.972 N/A ILE 151.A N ASN 60.A O no hydrogen 2.832 N/A ALA 152.A N ASN 140.A O no hydrogen 2.887 N/A LEU 154.A N GLU 47.A OE2 no hydrogen 2.963 N/A ALA 157.A N LEU 154.A O no hydrogen 2.998 N/A VAL 158.A N ALA 132.A O no hydrogen 2.920 N/A MET 159.A N ASP 168.A O no hydrogen 2.915 N/A HIS 160.A N ALA 130.A O no hydrogen 2.871 N/A HIS 160.A NE2 ASN 165.A OD1 no hydrogen 3.051 N/A SER 161.A N GLN 166.A O no hydrogen 3.304 N/A GLN 162.A N GLU 121.A OE1 no hydrogen 2.804 N/A GLN 166.A N THR 164.A OG1 no hydrogen 3.323 N/A ASP 168.A N MET 159.A O no hydrogen 2.784 N/A GLY 170.A N ASP 168.A OD1 no hydrogen 3.008 N/A ASN 172.A ND2 SER 43.A OG no hydrogen 3.039 N/A ASN 172.A ND2 GLY 155.A O no hydrogen 3.256 N/A ARG 174.A N ASN 172.A OD1 no hydrogen 3.043 N/A ARG 174.A NH1 ASP 135.A OD2 no hydrogen 2.859 N/A ARG 174.A NH1 ASP 153.A OD1 no hydrogen 3.421 N/A ARG 174.A NH2 SER 43.A OG no hydrogen 3.028 N/A ARG 174.A NH2 ASP 153.A OD1 no hydrogen 3.372 N/A THR 177.A N ASP 135.A OD1 no hydrogen 2.947 N/A THR 177.A OG1 ASP 135.A OD1 no hydrogen 2.638 N/A THR 177.A OG1 ASP 135.A OD2 no hydrogen 3.484 N/A ARG 179.A NH1 PRO 229.A O no hydrogen 2.902 N/A ARG 179.A NH2 PRO 235.A O no hydrogen 3.279 N/A TYR 180.A N THR 177.A O no hydrogen 3.190 N/A TYR 180.A OH GLU 212.A OE1 no hydrogen 3.273 N/A TYR 180.A OH GLU 212.A OE2 no hydrogen 2.523 N/A MET 181.A N LYS 178.A O no hydrogen 3.124 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.823 N/A VAL 185.A N ALA 182.A O no hydrogen 3.052 N/A LEU 186.A N ALA 182.A O no hydrogen 3.163 N/A ASP 187.A N PRO 183.A O no hydrogen 2.900 N/A GLU 188.A N VAL 185.A O no hydrogen 3.261 N/A THR 189.A N ASP 187.A OD1 no hydrogen 3.083 N/A THR 189.A OG1 ASP 187.A OD1 no hydrogen 2.745 N/A ILE 190.A N GLU 184.A O no hydrogen 3.052 N/A CYS 194.A N GLN 191.A O no hydrogen 3.101 N/A CYS 194.A SG.A GLN 191.A OE1 no hydrogen 3.947 N/A SER 197.A N CYS 194.A O no hydrogen 3.145 N/A SER 197.A OG GLN 191.A O no hydrogen 2.773 N/A SER 197.A OG CYS 194.A O no hydrogen 3.533 N/A TYR 198.A N PHE 195.A O no hydrogen 3.003 N/A TYR 198.A OH VAL 192.A O no hydrogen 2.725 N/A LYS 199.A N PHE 195.A O no hydrogen 3.476 N/A ARG 200.A N ASP 196.A O no hydrogen 2.994 N/A VAL 201.A N SER 197.A O no hydrogen 3.229 N/A ASP 202.A N TYR 198.A O no hydrogen 3.216 N/A ILE 203.A N LYS 199.A O no hydrogen 3.092 N/A TRP 204.A N ARG 200.A O no hydrogen 3.199 N/A ALA 205.A N VAL 201.A O no hydrogen 3.199 N/A PHE 206.A N ASP 202.A O no hydrogen 2.894 N/A GLY 207.A N ILE 203.A O no hydrogen 3.020 N/A LEU 208.A N TRP 204.A O no hydrogen 3.228 N/A VAL 209.A N ALA 205.A O no hydrogen 3.015 N/A LEU 210.A N PHE 206.A O no hydrogen 2.819 N/A TRP 211.A N GLY 207.A O no hydrogen 3.030 N/A TRP 211.A NE1 ASN 255.A O no hydrogen 2.909 N/A GLU 212.A N LEU 208.A O no hydrogen 3.112 N/A VAL 213.A N VAL 209.A O no hydrogen 2.971 N/A ALA 214.A N LEU 210.A O no hydrogen 2.936 N/A ARG 215.A N TRP 211.A O no hydrogen 3.295 N/A ARG 215.A NE ASP 225.A O no hydrogen 3.219 N/A ARG 215.A NH2 ASP 225.A O no hydrogen 2.886 N/A ARG 216.A N VAL 213.A O no hydrogen 3.011 N/A ARG 216.A NE LEU 94.A O no hydrogen 2.956 N/A ARG 216.A NE THR 97.A O no hydrogen 3.133 N/A ARG 216.A NH1 GLU 224.A O no hydrogen 2.791 N/A ARG 216.A NH2 THR 97.A O no hydrogen 3.082 N/A MET 217.A N ALA 214.A O no hydrogen 3.074 N/A VAL 218.A N LEU 99.A O no hydrogen 2.808 N/A SER 219.A N ILE 222.A O no hydrogen 3.121 N/A ILE 222.A N SER 219.A O no hydrogen 2.922 N/A GLU 224.A N ARG 215.A O no hydrogen 2.948 N/A TYR 226.A OH GLU 212.A OE1 no hydrogen 2.573 N/A TYR 231.A N PRO 228.A O no hydrogen 3.094 N/A VAL 233.A N PHE 230.A O no hydrogen 3.095 N/A VAL 234.A N PHE 230.A O no hydrogen 3.232 N/A SER 239.A N ASP 242.A OD2 no hydrogen 3.026 N/A ASP 242.A N SER 239.A OG no hydrogen 3.045 N/A MET 243.A N SER 239.A O no hydrogen 3.100 N/A ARG 244.A N PHE 240.A O no hydrogen 3.014 N/A LYS 245.A N GLU 241.A O no hydrogen 3.091 N/A LYS 245.A NZ ASP 250.A OD1 no hydrogen 2.820 N/A LYS 245.A NZ ASP 250.A OD2 no hydrogen 3.071 N/A VAL 246.A N ASP 242.A O no hydrogen 3.257 N/A VAL 247.A N MET 243.A O no hydrogen 2.782 N/A CYS 248.A N ARG 244.A O no hydrogen 2.877 N/A CYS 248.A SG PRO 183.A O no hydrogen 3.291 N/A VAL 249.A N ARG 244.A O no hydrogen 3.071 N/A ASP 250.A N LYS 245.A O no hydrogen 2.726 N/A GLN 252.A N VAL 246.A O no hydrogen 2.867 N/A ARG 253.A NE TRP 277.A O no hydrogen 2.895 N/A ARG 253.A NH1 VAL 247.A O no hydrogen 3.211 N/A ARG 253.A NH1 GLN 252.A O no hydrogen 2.889 N/A ARG 253.A NH2 TRP 277.A O no hydrogen 3.180 N/A ARG 259.A NE GLU 224.A OE1 no hydrogen 3.455 N/A ARG 259.A NE GLU 224.A OE2 no hydrogen 2.729 N/A ARG 259.A NH1 MET 217.A O no hydrogen 2.854 N/A ARG 259.A NH1 SER 219.A OG no hydrogen 2.671 N/A ARG 259.A NH2 MET 217.A O no hydrogen 2.919 N/A ARG 259.A NH2 GLU 224.A OE1 no hydrogen 3.086 N/A TRP 260.A N PRO 257.A O no hydrogen 3.207 N/A TRP 260.A NE1 GLU 224.A OE1 no hydrogen 2.903 N/A PHE 261.A N ASN 258.A O no hydrogen 3.118 N/A SER 262.A N ARG 259.A O no hydrogen 3.380 N/A SER 262.A OG ARG 259.A O no hydrogen 3.397 N/A ASP 263.A N TRP 260.A O no hydrogen 3.002 N/A LEU 266.A N ASP 263.A OD2 no hydrogen 2.816 N/A THR 267.A N ASP 263.A O no hydrogen 3.017 N/A THR 267.A OG1 TRP 260.A O no hydrogen 3.066 N/A THR 267.A OG1 ASP 263.A O no hydrogen 3.052 N/A SER 268.A N PRO 264.A O no hydrogen 3.083 N/A SER 268.A OG PRO 264.A O no hydrogen 3.180 N/A LEU 269.A N THR 265.A O no hydrogen 2.916 N/A ALA 270.A N LEU 266.A O no hydrogen 2.750 N/A LYS 271.A N THR 267.A O no hydrogen 3.157 N/A LYS 271.A NZ GLU 275.A OE2 no hydrogen 3.327 N/A LEU 272.A N SER 268.A O no hydrogen 3.040 N/A MET 273.A N LEU 269.A O no hydrogen 3.024 N/A LYS 274.A N ALA 270.A O no hydrogen 3.089 N/A GLU 275.A N LYS 271.A O no hydrogen 3.105 N/A CYS 276.A N MET 273.A O no hydrogen 2.961 N/A CYS 276.A SG LEU 272.A O no hydrogen 3.351 N/A TRP 277.A N LYS 274.A O no hydrogen 3.093 N/A GLN 279.A NE2 GLN 251.A OE1 no hydrogen 2.590 N/A SER 282.A N ASN 280.A OD1 no hydrogen 3.043 N/A SER 282.A OG ASN 280.A OD1 no hydrogen 2.989 N/A ALA 283.A N ASN 280.A O no hydrogen 3.055 N/A ARG 284.A N PRO 281.A O no hydrogen 3.221 N/A ARG 284.A NE TYR 278.A O no hydrogen 2.923 N/A ARG 284.A NH1 GLU 184.A OE1 no hydrogen 3.402 N/A ARG 284.A NH1 GLU 184.A OE2 no hydrogen 2.797 N/A ARG 284.A NH1 ARG 200.A O no hydrogen 3.094 N/A ARG 284.A NH2 GLU 184.A OE1 no hydrogen 2.844 N/A ARG 284.A NH2 TYR 278.A O no hydrogen 2.927 N/A LEU 285.A N GLU 275.A O no hydrogen 3.129 N/A ARG 289.A N THR 286.A OG1 no hydrogen 3.153 N/A ILE 290.A N THR 286.A O no hydrogen 2.964 N/A LYS 291.A N ALA 287.A O no hydrogen 2.880 N/A LYS 292.A N LEU 288.A O no hydrogen 2.984 N/A THR 293.A N ARG 289.A O no hydrogen 2.901 N/A THR 293.A OG1 ARG 289.A O no hydrogen 2.918 N/A LEU 294.A N ILE 290.A O no hydrogen 3.012 N/A THR 295.A N LYS 291.A O no hydrogen 2.885 N/A THR 295.A OG1.A LYS 291.A O no hydrogen 2.600 N/A THR 295.A OG1.B LYS 292.A O no hydrogen 2.903 N/A LYS 296.A N LYS 292.A O no hydrogen 3.280 N/A LYS 296.A N THR 293.A O no hydrogen 3.207 N/A ILE 297.A N LEU 294.A O no hydrogen 3.260 N/A