Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xr1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ARG 1.A O no hydrogen 3.257 N/A ASP 6.A N TYR 2.A O no hydrogen 3.235 N/A ARG 7.A N ASP 3.A O no hydrogen 3.308 N/A ARG 7.A NE GLU 129.A OE1 no hydrogen 3.213 N/A ARG 7.A NH2 GLU 129.A OE1 no hydrogen 2.867 N/A ARG 7.A NH2 GLU 129.A OE2 no hydrogen 2.537 N/A LEU 8.A N LEU 4.A O no hydrogen 3.002 N/A ASN 9.A N VAL 5.A O no hydrogen 2.822 N/A THR 10.A N ASP 6.A O no hydrogen 2.931 N/A THR 10.A OG1 ASP 6.A O no hydrogen 2.880 N/A THR 11.A N ARG 7.A O no hydrogen 2.708 N/A THR 11.A OG1 ARG 7.A O no hydrogen 2.916 N/A PHE 12.A N LEU 8.A O no hydrogen 3.066 N/A ARG 13.A N ASN 9.A O no hydrogen 2.941 N/A GLN 14.A N THR 10.A O no hydrogen 2.993 N/A MET 15.A N THR 11.A O no hydrogen 2.968 N/A GLU 16.A N PHE 12.A O no hydrogen 2.923 N/A GLN 17.A N ARG 13.A O no hydrogen 2.903 N/A GLU 18.A N GLN 14.A O no hydrogen 2.733 N/A LEU 19.A N MET 15.A O no hydrogen 3.200 N/A ALA 20.A N GLU 16.A O no hydrogen 3.145 N/A ILE 21.A N GLN 17.A O no hydrogen 3.103 N/A PHE 22.A N GLU 18.A O no hydrogen 2.886 N/A ALA 23.A N LEU 19.A O no hydrogen 3.126 N/A ALA 24.A N ALA 20.A O no hydrogen 2.848 N/A HIS 25.A N ILE 21.A O no hydrogen 3.104 N/A LEU 26.A N PHE 22.A O no hydrogen 3.001 N/A GLU 27.A N ALA 23.A O no hydrogen 3.029 N/A GLN 28.A N HIS 25.A O no hydrogen 3.332 N/A HIS 29.A N LEU 26.A O no hydrogen 2.814 N/A HIS 29.A NE2 SER 104.A OG no hydrogen 3.237 N/A LEU 32.A N CYS 97.A O no hydrogen 2.952 N/A VAL 33.A N CYS 97.A O no hydrogen 3.445 N/A ARG 35.A N VAL 95.A O no hydrogen 2.837 N/A ARG 35.A NH2 VAL 272.A O no hydrogen 2.585 N/A VAL 36.A N HIS 59.A O no hydrogen 3.016 N/A PHE 37.A N PRO 93.A O no hydrogen 3.081 N/A SER 38.A N LYS 57.A O no hydrogen 2.773 N/A SER 38.A OG LYS 57.A O no hydrogen 3.322 N/A SER 38.A OG HIS 59.A NE2 no hydrogen 3.037 N/A LYS 44.A N ASN 83.A O no hydrogen 2.746 N/A ASP 46.A N LYS 43.A O no hydrogen 3.002 N/A GLU 47.A N LYS 44.A O no hydrogen 3.313 N/A ASN 49.A N ASP 46.A O no hydrogen 3.067 N/A ILE 54.A N TYR 278.A O no hydrogen 3.234 N/A VAL 56.A N ASN 277.A OD1 no hydrogen 2.756 N/A LYS 57.A N SER 38.A O no hydrogen 3.080 N/A HIS 59.A N VAL 36.A O no hydrogen 2.756 N/A HIS 59.A ND1 ASP 63.A OD2 no hydrogen 2.936 N/A HIS 59.A NE2 SER 38.A OG no hydrogen 3.037 N/A ALA 64.A N LEU 60.A O no hydrogen 3.218 N/A GLN 65.A N GLY 61.A O no hydrogen 3.025 N/A GLN 65.A NE2 TYR 98.A OH no hydrogen 2.647 N/A SER 66.A N ASN 62.A O no hydrogen 2.820 N/A SER 66.A OG ASN 62.A O no hydrogen 2.953 N/A LEU 67.A N ASP 63.A O no hydrogen 2.989 N/A ALA 68.A N ALA 64.A O no hydrogen 2.915 N/A LEU 69.A N GLN 65.A O no hydrogen 2.934 N/A ARG 70.A N SER 66.A O no hydrogen 3.084 N/A ARG 70.A NE.A SER 66.A O no hydrogen 3.110 N/A HIS 71.A N LEU 67.A O no hydrogen 2.882 N/A HIS 71.A NE2 PRO 254.A O no hydrogen 3.094 N/A PHE 72.A N ALA 68.A O no hydrogen 3.259 N/A ARG 73.A N ARG 70.A O no hydrogen 2.957 N/A HIS 74.A N HIS 71.A O no hydrogen 3.178 N/A ILE 77.A N GLY 147.A O no hydrogen 2.958 N/A GLN 79.A N PHE 76.A O no hydrogen 3.281 N/A GLN 79.A NE2 PHE 76.A O no hydrogen 3.095 N/A GLN 80.A N ILE 77.A O no hydrogen 2.996 N/A SER 81.A OG GLU 41.A OE2 no hydrogen 2.825 N/A ARG 84.A N SER 81.A O no hydrogen 3.335 N/A SER 85.A N VAL 42.A O no hydrogen 2.853 N/A SER 85.A OG GLU 47.A OE1 no hydrogen 3.346 N/A LYS 87.A N SER 85.A OG no hydrogen 2.895 N/A ALA 88.A N SER 85.A OG no hydrogen 2.728 N/A ARG 91.A NH1 VAL 234.A O no hydrogen 3.464 N/A LEU 92.A N PRO 254.A O no hydrogen 2.683 N/A VAL 95.A N ARG 35.A O no hydrogen 2.706 N/A LEU 96.A N LEU 257.A O no hydrogen 2.973 N/A CYS 97.A N VAL 33.A O no hydrogen 2.776 N/A TYR 98.A N ALA 259.A O no hydrogen 2.822 N/A GLN 99.A N LYS 30.A O no hydrogen 3.099 N/A VAL 100.A N ILE 261.A O no hydrogen 2.827 N/A ASP 101.A N SER 104.A OG no hydrogen 3.261 N/A ASN 102.A N ASP 264.A OD2 no hydrogen 2.930 N/A SER 104.A N ASP 101.A OD1 no hydrogen 2.806 N/A SER 104.A OG HIS 29.A NE2 no hydrogen 3.237 N/A SER 104.A OG ASP 101.A OD1 no hydrogen 2.682 N/A GLN 105.A N ASP 101.A O no hydrogen 2.784 N/A ALA 106.A N ASN 102.A O no hydrogen 3.139 N/A ALA 107.A N LEU 103.A O no hydrogen 3.226 N/A LEU 108.A N SER 104.A O no hydrogen 2.968 N/A VAL 109.A N GLN 105.A O no hydrogen 3.001 N/A SER 110.A N ALA 106.A O no hydrogen 2.981 N/A HIS 111.A N ALA 107.A O no hydrogen 3.048 N/A ILE 112.A N LEU 108.A O no hydrogen 2.896 N/A GLN 113.A N VAL 109.A O no hydrogen 2.871 N/A HIS 114.A N SER 110.A O no hydrogen 2.990 N/A ILE 115.A N HIS 111.A O no hydrogen 2.758 N/A ASN 116.A N ILE 112.A O no hydrogen 2.827 N/A ASN 116.A ND2 LEU 157.A O no hydrogen 2.820 N/A LYS 117.A N GLN 113.A O no hydrogen 2.828 N/A LEU 118.A N HIS 114.A O no hydrogen 3.085 N/A LYS 119.A N ILE 115.A O no hydrogen 3.102 N/A LYS 119.A NZ ALA 153.A O no hydrogen 2.985 N/A LYS 119.A NZ ARG 155.A O no hydrogen 2.741 N/A THR 120.A N ASN 116.A O no hydrogen 2.926 N/A THR 120.A OG1 ASN 116.A O no hydrogen 3.392 N/A THR 121.A N LYS 117.A O no hydrogen 2.877 N/A THR 121.A OG1 LYS 117.A O no hydrogen 3.118 N/A PHE 122.A N LEU 118.A O no hydrogen 2.810 N/A GLU 123.A N LYS 119.A O no hydrogen 3.027 N/A HIS 124.A N THR 120.A O no hydrogen 3.047 N/A HIS 124.A ND1 GLU 129.A OE2 no hydrogen 2.868 N/A ILE 125.A N THR 121.A O no hydrogen 2.912 N/A VAL 126.A N PHE 122.A O no hydrogen 3.250 N/A THR 127.A N GLU 123.A O no hydrogen 2.958 N/A THR 127.A OG1 GLU 123.A O no hydrogen 3.109 N/A VAL 128.A N HIS 124.A O no hydrogen 3.082 N/A GLU 129.A N HIS 124.A O no hydrogen 3.080 N/A SER 130.A OG VAL 126.A O no hydrogen 2.596 N/A GLU 131.A N VAL 128.A O no hydrogen 2.965 N/A LEU 132.A N SER 130.A OG no hydrogen 3.082 N/A ALA 136.A N PRO 133.A O no hydrogen 2.821 N/A ARG 137.A NE LEU 132.A O no hydrogen 3.152 N/A ARG 137.A NH2 LEU 132.A O no hydrogen 3.334 N/A VAL 141.A N ARG 137.A O no hydrogen 3.061 N/A HIS 142.A N PHE 138.A O no hydrogen 3.072 N/A ARG 143.A N GLU 139.A O no hydrogen 2.921 N/A HIS 144.A N VAL 141.A O no hydrogen 3.206 N/A LEU 145.A N VAL 141.A O no hydrogen 2.861 N/A LEU 148.A N LEU 145.A O no hydrogen 2.988 N/A ILE 149.A N LEU 75.A O no hydrogen 2.815 N/A ASN 152.A N ILE 149.A O no hydrogen 2.839 N/A ASN 152.A ND2 HIS 74.A O no hydrogen 2.975 N/A ALA 153.A N ILE 149.A O no hydrogen 3.234 N/A TYR 154.A N THR 150.A O no hydrogen 3.084 N/A ARG 155.A N LEU 151.A O no hydrogen 3.038 N/A ARG 155.A NH1 VAL 90.A O no hydrogen 2.940 N/A ARG 155.A NH2 VAL 90.A O no hydrogen 3.168 N/A LEU 157.A N ASN 116.A OD1 no hydrogen 2.796 N/A LEU 160.A N ILE 258.A O no hydrogen 2.869 N/A ASP 162.A N LEU 260.A O no hydrogen 3.104 N/A ALA 164.A N TRP 241.A O no hydrogen 2.735 N/A THR 165.A N TRP 241.A O no hydrogen 3.270 N/A LEU 166.A N ASP 271.A O no hydrogen 2.932 N/A ARG 167.A N ARG 239.A O no hydrogen 3.061 N/A ARG 167.A NH1 LEU 166.A O no hydrogen 2.894 N/A ARG 167.A NH1 ASP 271.A O no hydrogen 3.447 N/A ARG 167.A NH1 ASP 271.A OD1 no hydrogen 3.298 N/A ARG 167.A NH2 ASP 271.A OD1 no hydrogen 3.564 N/A ARG 167.A NH2 ASP 271.A OD2 no hydrogen 3.055 N/A GLY 169.A N ILE 237.A O no hydrogen 3.057 N/A TRP 170.A NE1 LEU 276.A O no hydrogen 2.811 N/A ALA 171.A N GLN 235.A O no hydrogen 2.832 N/A ASN 172.A ND2 TYR 278.A OH no hydrogen 2.935 N/A LYS 173.A NZ GLN 250.A OE1 no hydrogen 2.652 N/A ILE 175.A N ARG 230.A O no hydrogen 2.957 N/A LYS 177.A N ILE 228.A O no hydrogen 3.167 N/A LYS 177.A NZ ASN 178.A O no hydrogen 3.530 N/A LEU 179.A N LEU 226.A O no hydrogen 2.854 N/A HIS 180.A N GLU 183.A OE1 no hydrogen 3.004 N/A ARG 181.A NE ASP 182.A OD2 no hydrogen 3.212 N/A ARG 181.A NH1 LEU 220.A O no hydrogen 2.906 N/A ARG 181.A NH2 ASP 182.A OD2 no hydrogen 3.055 N/A VAL 184.A N HIS 180.A O no hydrogen 3.283 N/A LEU 185.A N ARG 181.A O no hydrogen 3.054 N/A ALA 186.A N ASP 182.A O no hydrogen 2.747 N/A GLN 187.A N GLU 183.A O no hydrogen 3.014 N/A LEU 188.A N VAL 184.A O no hydrogen 2.959 N/A GLU 189.A N LEU 185.A O no hydrogen 2.864 N/A LYS 190.A N ALA 186.A O no hydrogen 2.900 N/A SER 191.A N GLN 187.A O no hydrogen 3.162 N/A LEU 192.A N LEU 188.A O no hydrogen 3.024 N/A LEU 192.A N GLU 189.A O no hydrogen 3.028 N/A SER 194.A N LEU 192.A O no hydrogen 2.029 N/A SER 194.A OG LYS 190.A O no hydrogen 3.321 N/A SER 194.A OG LEU 192.A O no hydrogen 3.408 N/A GLU 204.A N THR 202.A OG1 no hydrogen 3.175 N/A GLU 205.A N THR 202.A OG1 no hydrogen 3.395 N/A TRP 206.A N THR 202.A O no hydrogen 3.333 N/A GLN 207.A N ARG 203.A O no hydrogen 3.215 N/A GLN 207.A NE2 ARG 196.A O no hydrogen 3.244 N/A ARG 208.A N GLU 204.A O no hydrogen 3.214 N/A LYS 209.A N GLU 205.A O no hydrogen 3.167 N/A LEU 210.A N TRP 206.A O no hydrogen 3.169 N/A LEU 210.A N GLN 207.A O no hydrogen 2.709 N/A GLU 211.A N GLN 207.A O no hydrogen 2.873 N/A ARG 212.A N ARG 208.A O no hydrogen 3.017 N/A ARG 212.A NH1 ASP 216.A OD1 no hydrogen 2.661 N/A ARG 212.A NH1 ASP 216.A OD2 no hydrogen 3.476 N/A GLU 213.A N LYS 209.A O no hydrogen 3.174 N/A TYR 214.A N LEU 210.A O no hydrogen 2.926 N/A GLN 215.A N GLU 211.A O no hydrogen 3.112 N/A ASP 216.A N ARG 212.A O no hydrogen 3.020 N/A ILE 217.A N GLU 213.A O no hydrogen 3.062 N/A ALA 218.A N TYR 214.A O no hydrogen 2.755 N/A LEU 220.A N ILE 217.A O no hydrogen 3.042 N/A GLN 222.A NE2 ASP 182.A OD1 no hydrogen 3.233 N/A ALA 224.A N PRO 221.A O no hydrogen 3.260 N/A LYS 225.A NZ ASP 307.A OD2 no hydrogen 2.808 N/A LEU 226.A N LEU 179.A O no hydrogen 3.381 N/A LYS 227.A N TYR 304.A O no hydrogen 3.017 N/A LYS 227.A NZ GLN 292.A OE1 no hydrogen 3.226 N/A ILE 228.A N LYS 177.A O no hydrogen 2.942 N/A LYS 229.A N HIS 302.A O no hydrogen 3.090 N/A ARG 230.A N ILE 175.A O no hydrogen 3.242 N/A VAL 232.A N LYS 173.A O no hydrogen 2.930 N/A LYS 233.A NZ ASN 49.A O no hydrogen 2.732 N/A GLN 235.A N ALA 171.A O no hydrogen 3.238 N/A ILE 237.A N GLY 169.A O no hydrogen 2.793 N/A ALA 238.A N HIS 251.A O no hydrogen 2.851 N/A ARG 239.A N ARG 167.A O no hydrogen 2.820 N/A VAL 240.A N VAL 249.A O no hydrogen 2.834 N/A TRP 241.A N THR 165.A O no hydrogen 2.877 N/A ASP 245.A N TYR 242.A O no hydrogen 3.226 N/A VAL 249.A N VAL 240.A O no hydrogen 3.016 N/A HIS 251.A N ALA 238.A O no hydrogen 2.897 N/A CYS 253.A N PRO 236.A O no hydrogen 3.084 N/A CYS 253.A SG GLY 94.A O no hydrogen 3.799 N/A CYS 253.A SG THR 255.A O no hydrogen 3.569 N/A LEU 257.A N GLY 94.A O no hydrogen 2.883 N/A ILE 258.A N THR 158.A O no hydrogen 3.013 N/A ALA 259.A N LEU 96.A O no hydrogen 2.835 N/A LEU 260.A N LEU 160.A O no hydrogen 2.808 N/A ILE 261.A N TYR 98.A O no hydrogen 2.924 N/A ASN 262.A N ASP 162.A OD1 no hydrogen 2.743 N/A ASN 262.A ND2 ASN 102.A OD1 no hydrogen 2.970 N/A ARG 263.A N VAL 100.A O no hydrogen 2.790 N/A ASP 264.A N ASN 262.A OD1 no hydrogen 2.839 N/A ASN 265.A N ASN 262.A O no hydrogen 2.982 N/A ASN 265.A ND2 ASP 162.A OD2 no hydrogen 2.978 N/A GLY 266.A N ARG 263.A O no hydrogen 3.306 N/A ASP 271.A N ALA 164.A O no hydrogen 2.839 N/A GLY 273.A N LEU 166.A O no hydrogen 2.773 N/A TYR 278.A N ILE 54.A O no hydrogen 3.055 N/A ALA 280.A N ASN 52.A O no hydrogen 2.829 N/A ASP 281.A N ASP 279.A OD1 no hydrogen 3.078 N/A ASN 282.A N ASP 279.A O no hydrogen 3.224 N/A HIS 285.A N VAL 283.A O no hydrogen 3.134 N/A ARG 295.A N VAL 305.A O no hydrogen 2.906 N/A ILE 297.A N LEU 303.A O no hydrogen 2.962 N/A ILE 298.A N LEU 303.A O no hydrogen 3.214 N/A ARG 300.A NH1 GLU 213.A OE1 no hydrogen 2.744 N/A ARG 300.A NH1 GLU 213.A OE2 no hydrogen 3.554 N/A HIS 302.A N PRO 299.A O no hydrogen 2.971 N/A LEU 303.A N ILE 298.A O no hydrogen 3.196 N/A TYR 304.A N LYS 227.A O no hydrogen 2.759 N/A VAL 305.A N ARG 295.A O no hydrogen 2.824 N/A ALA 306.A N LYS 225.A O no hydrogen 2.838 N/A