Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE LYS 78.A O no hydrogen 3.310 N/A ARG 2.A NH1 LYS 78.A O no hydrogen 3.177 N/A ARG 2.A NH1 VAL 81.A O no hydrogen 2.959 N/A ARG 2.A NH1 ASP 224.A OD2 no hydrogen 2.820 N/A ARG 2.A NH2 ARG 2.A O no hydrogen 3.049 N/A ARG 2.A NH2 ASP 224.A OD1 no hydrogen 3.034 N/A CYS 4.A SG ARG 8.A O no hydrogen 3.379 N/A THR 5.A N SER 82.A O no hydrogen 2.717 N/A THR 5.A OG1 SER 82.A OG no hydrogen 2.807 N/A ILE 10.A N ASP 224.A O no hydrogen 3.156 N/A GLU 12.A N CYS 9.A O no hydrogen 2.968 N/A ARG 14.A N ASP 20.A OD2 no hydrogen 2.682 N/A PHE 19.A N SER 16.A OG no hydrogen 3.103 N/A ASP 20.A N SER 16.A O no hydrogen 2.903 N/A GLU 21.A N ALA 17.A O no hydrogen 2.926 N/A ARG 22.A N PHE 19.A O no hydrogen 3.047 N/A ARG 22.A NH1 TRP 18.A O no hydrogen 2.832 N/A ARG 22.A NH2 GLN 203.A OE1 no hydrogen 2.909 N/A PHE 23.A N PHE 19.A O no hydrogen 2.930 N/A ASN 24.A N TYR 196.A OH no hydrogen 3.104 N/A ARG 25.A NH2 GLU 11.A O no hydrogen 2.923 N/A SER 26.A N ASN 24.A OD1 no hydrogen 3.050 N/A SER 26.A OG ASN 24.A OD1 no hydrogen 2.904 N/A LEU 30.A N ILE 188.A O no hydrogen 2.793 N/A THR 31.A N ASN 34.A OD1 no hydrogen 2.700 N/A ALA 32.A N GLY 70.A O no hydrogen 2.919 N/A ASN 34.A N THR 31.A O no hydrogen 3.259 N/A ASN 34.A N THR 31.A OG1 no hydrogen 2.982 N/A ASN 34.A ND2 GLN 27.A OE1 no hydrogen 2.971 N/A ASN 34.A ND2 LEU 29.A O no hydrogen 2.836 N/A TYR 42.A N GLU 38.A O no hydrogen 2.988 N/A LYS 43.A N GLU 39.A O no hydrogen 2.922 N/A TRP 44.A N ASP 40.A O no hydrogen 3.114 N/A TRP 45.A N THR 41.A O no hydrogen 3.020 N/A TRP 45.A NE1 PRO 150.A O no hydrogen 2.889 N/A LEU 46.A N TYR 42.A O no hydrogen 2.944 N/A ARG 47.A N LYS 43.A O no hydrogen 3.147 N/A ARG 47.A N TRP 44.A O no hydrogen 3.082 N/A LEU 48.A N TRP 45.A O no hydrogen 3.185 N/A GLN 49.A NE2 TYR 208.A OH no hydrogen 3.329 N/A ARG 50.A N LEU 46.A O no hydrogen 3.101 N/A LYS 53.A NZ PRO 54.A O no hydrogen 3.056 N/A ASP 59.A N ASN 56.A OD1 no hydrogen 3.024 N/A THR 60.A N ASN 56.A O no hydrogen 3.054 N/A THR 60.A OG1 ASN 56.A O no hydrogen 2.919 N/A ILE 61.A N LEU 57.A O no hydrogen 2.831 N/A ARG 62.A N ASN 58.A O no hydrogen 2.877 N/A GLU 63.A N ASP 59.A O no hydrogen 3.019 N/A LEU 64.A N THR 60.A O no hydrogen 2.737 N/A PHE 65.A N ILE 61.A O no hydrogen 3.014 N/A GLN 66.A N GLU 63.A O no hydrogen 3.099 N/A VAL 67.A N LEU 64.A O no hydrogen 2.896 N/A VAL 68.A N LEU 64.A O no hydrogen 2.901 N/A LEU 76.A N ASP 73.A O no hydrogen 2.853 N/A GLU 77.A N ASP 73.A OD2 no hydrogen 2.730 N/A LYS 78.A N LEU 75.A O no hydrogen 3.064 N/A LYS 78.A NZ GLU 11.A OE2 no hydrogen 3.262 N/A LYS 78.A NZ HIS 221.A O no hydrogen 2.913 N/A LYS 78.A NZ CYS 223.A O no hydrogen 3.547 N/A ARG 79.A NH1 ASP 73.A OD1 no hydrogen 3.410 N/A LEU 80.A N GLU 77.A O no hydrogen 2.949 N/A VAL 81.A N LYS 78.A O no hydrogen 3.209 N/A SER 82.A OG THR 5.A OG1 no hydrogen 2.807 N/A ARG 84.A N ASP 224.A OD2 no hydrogen 2.780 N/A ARG 84.A NH1 LEU 75.A O no hydrogen 3.199 N/A ARG 84.A NH1 LEU 76.A O no hydrogen 3.402 N/A ARG 84.A NH1 ILE 222.A O no hydrogen 3.023 N/A ARG 84.A NH2 LEU 76.A O no hydrogen 2.685 N/A ARG 85.A N ASP 108.A OD2 no hydrogen 2.989 N/A ARG 85.A NE GLU 225.A OE2 no hydrogen 3.256 N/A CYS 86.A N GLU 225.A O no hydrogen 2.787 N/A ALA 87.A N PHE 109.A O no hydrogen 3.015 N/A VAL 88.A N ASP 227.A O no hydrogen 2.864 N/A VAL 89.A N LEU 111.A O no hydrogen 2.840 N/A GLY 90.A N TYR 229.A O no hydrogen 2.704 N/A ASN 91.A ND2 ASN 113.A OD1 no hydrogen 3.183 N/A SER 92.A N GLY 230.A O no hydrogen 3.006 N/A SER 92.A OG GLY 232.A O no hydrogen 2.762 N/A GLY 93.A N HIS 240.A O no hydrogen 2.645 N/A ASN 94.A N SER 92.A OG no hydrogen 2.946 N/A ASN 94.A ND2 PHE 231.A O no hydrogen 2.997 N/A ASN 94.A ND2 ALA 233.A O no hydrogen 3.042 N/A LEU 95.A N SER 92.A O no hydrogen 3.002 N/A LYS 96.A N GLY 93.A O no hydrogen 3.118 N/A GLU 97.A N ASP 123.A OD2 no hydrogen 2.838 N/A SER 98.A N LEU 95.A O no hydrogen 2.966 N/A SER 98.A OG LEU 95.A O no hydrogen 2.671 N/A TYR 99.A N ASP 123.A OD1 no hydrogen 2.953 N/A GLY 101.A N ALA 122.A O no hydrogen 2.913 N/A ILE 104.A N TYR 100.A O no hydrogen 2.931 N/A ASP 105.A N GLY 101.A O no hydrogen 2.862 N/A SER 106.A N PRO 102.A O no hydrogen 3.048 N/A SER 106.A N GLN 103.A O no hydrogen 3.126 N/A SER 106.A OG GLN 103.A O no hydrogen 2.499 N/A HIS 107.A N ILE 104.A O no hydrogen 3.157 N/A HIS 107.A ND1 ILE 104.A O no hydrogen 3.028 N/A HIS 107.A NE2 ASP 227.A OD2 no hydrogen 2.481 N/A PHE 109.A N ARG 85.A O no hydrogen 3.202 N/A VAL 110.A N THR 129.A OG1 no hydrogen 2.783 N/A LEU 111.A N ALA 87.A O no hydrogen 2.814 N/A ARG 112.A N HIS 130.A O no hydrogen 3.076 N/A ARG 112.A NE LYS 127.A O no hydrogen 3.117 N/A ARG 112.A NE THR 128.A OG1 no hydrogen 2.961 N/A ARG 112.A NH1 VAL 124.A O no hydrogen 2.842 N/A ARG 112.A NH2 VAL 124.A O no hydrogen 2.766 N/A ARG 112.A NH2 LYS 127.A O no hydrogen 2.772 N/A ASN 113.A ND2 SER 137.A OG no hydrogen 2.947 N/A GLY 119.A N GLU 121.A OE1 no hydrogen 2.910 N/A PHE 120.A N THR 117.A O no hydrogen 2.834 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.830 N/A ASP 123.A N PHE 120.A O no hydrogen 3.018 N/A VAL 124.A N PHE 120.A O no hydrogen 2.894 N/A GLY 125.A N GLU 121.A O no hydrogen 2.925 N/A SER 126.A N ASP 105.A OD2 no hydrogen 2.767 N/A SER 126.A OG ASP 105.A OD2 no hydrogen 2.878 N/A LYS 127.A N ASP 105.A OD1 no hydrogen 2.895 N/A LYS 127.A NZ ASP 105.A O no hydrogen 3.108 N/A LYS 127.A NZ HIS 107.A O no hydrogen 2.725 N/A THR 129.A N VAL 110.A O no hydrogen 2.894 N/A THR 129.A OG1 VAL 110.A O no hydrogen 3.148 N/A THR 129.A OG1 HIS 130.A ND1 no hydrogen 2.807 N/A HIS 130.A N VAL 110.A O no hydrogen 3.236 N/A HIS 130.A ND1 THR 129.A OG1 no hydrogen 2.807 N/A HIS 131.A N SER 146.A O no hydrogen 2.871 N/A HIS 131.A NE2 ASN 113.A O no hydrogen 2.661 N/A PHE 132.A N ARG 112.A O no hydrogen 2.866 N/A VAL 133.A N ILE 147.A O no hydrogen 2.921 N/A TYR 134.A N SER 137.A O no hydrogen 3.406 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.792 N/A SER 137.A N TYR 134.A O no hydrogen 2.889 N/A ARG 139.A NE ALA 115.A O no hydrogen 2.859 N/A ARG 139.A NH1 GLU 140.A O no hydrogen 2.974 N/A ARG 139.A NH2 ALA 115.A O no hydrogen 2.773 N/A VAL 145.A N ALA 142.A O no hydrogen 3.040 N/A SER 146.A N THR 129.A O no hydrogen 2.944 N/A LEU 148.A N LEU 187.A O no hydrogen 2.917 N/A VAL 149.A N VAL 133.A O no hydrogen 2.773 N/A PHE 151.A N ASP 155.A OD2 no hydrogen 2.786 N/A LYS 152.A NZ GLN 49.A OE1 no hydrogen 2.922 N/A LYS 152.A NZ GLU 136.A OE2 no hydrogen 2.805 N/A LYS 152.A NZ ASP 155.A OD1 no hydrogen 2.715 N/A THR 154.A N GLU 51.A OE1 no hydrogen 2.925 N/A THR 154.A OG1 GLU 51.A OE1 no hydrogen 3.407 N/A THR 154.A OG1 GLU 51.A OE2 no hydrogen 2.366 N/A ASP 155.A N LYS 152.A O no hydrogen 3.000 N/A GLU 157.A N THR 153.A O no hydrogen 3.195 N/A TRP 158.A N THR 154.A O no hydrogen 2.748 N/A TRP 158.A NE1 PRO 176.A O no hydrogen 2.863 N/A VAL 159.A N ASP 155.A O no hydrogen 3.323 N/A ILE 160.A N LEU 156.A O no hydrogen 3.385 N/A SER 161.A N GLU 157.A O no hydrogen 2.940 N/A ALA 162.A N TRP 158.A O no hydrogen 2.763 N/A THR 163.A N VAL 159.A O no hydrogen 3.325 N/A THR 163.A OG1 VAL 159.A O no hydrogen 2.946 N/A THR 163.A OG1 ILE 160.A O no hydrogen 3.317 N/A THR 164.A N SER 161.A O no hydrogen 2.945 N/A THR 164.A OG1 ILE 160.A O no hydrogen 2.606 N/A GLY 166.A N SER 161.A O no hydrogen 2.724 N/A ILE 168.A N SER 161.A OG no hydrogen 2.989 N/A SER 169.A OG HIS 170.A ND1 no hydrogen 3.068 N/A HIS 170.A ND1 SER 169.A OG no hydrogen 3.068 N/A THR 171.A N VAL 173.A O no hydrogen 2.892 N/A THR 171.A OG1 GLU 136.A OE2 no hydrogen 2.730 N/A VAL 175.A N SER 169.A O no hydrogen 2.973 N/A LYS 178.A NZ THR 164.A O no hydrogen 2.655 N/A ILE 179.A N ALA 162.A O no hydrogen 3.048 N/A LYS 180.A N GLU 140.A OE1 no hydrogen 2.906 N/A LYS 182.A NZ GLU 184.A OE1 no hydrogen 2.821 N/A GLU 184.A N GLU 184.A OE2 no hydrogen 2.867 N/A LYS 185.A N LYS 182.A O no hydrogen 2.950 N/A LYS 185.A NZ GLU 144.A O no hydrogen 3.128 N/A ILE 186.A N LYS 183.A O no hydrogen 3.149 N/A TYR 189.A N LEU 148.A O no hydrogen 2.886 N/A TYR 189.A OH LEU 214.A O no hydrogen 2.702 N/A HIS 190.A N PRO 28.A O no hydrogen 2.939 N/A HIS 190.A NE2 ASN 34.A O no hydrogen 2.907 N/A ALA 192.A N HIS 190.A ND1 no hydrogen 3.099 N/A ILE 194.A N HIS 190.A O no hydrogen 3.018 N/A LYS 195.A N PRO 191.A O no hydrogen 3.138 N/A LYS 195.A NZ ASP 199.A OD2 no hydrogen 2.620 N/A TYR 196.A N ALA 192.A O no hydrogen 3.054 N/A TYR 196.A OH HIS 221.A NE2 no hydrogen 2.699 N/A VAL 197.A N PHE 193.A O no hydrogen 2.965 N/A PHE 198.A N ILE 194.A O no hydrogen 2.956 N/A ASP 199.A N LYS 195.A O no hydrogen 2.715 N/A ARG 200.A N TYR 196.A O no hydrogen 2.773 N/A TRP 201.A N VAL 197.A O no hydrogen 3.065 N/A TRP 201.A NE1 TYR 196.A OH no hydrogen 2.961 N/A LEU 202.A N VAL 197.A O no hydrogen 2.906 N/A GLY 204.A N PHE 198.A O no hydrogen 2.899 N/A HIS 205.A N LEU 202.A O no hydrogen 2.917 N/A HIS 205.A ND1 LEU 202.A O no hydrogen 2.845 N/A ARG 207.A N VAL 248.A O no hydrogen 2.794 N/A ARG 207.A NE LEU 48.A O no hydrogen 2.932 N/A ARG 207.A NH2 ARG 47.A O no hydrogen 3.180 N/A TYR 208.A N VAL 248.A O no hydrogen 3.083 N/A SER 210.A N GLU 254.A OE2 no hydrogen 3.108 N/A SER 210.A OG GLU 254.A OE1 no hydrogen 2.265 N/A ILE 213.A N SER 210.A OG no hydrogen 3.224 N/A LEU 214.A N SER 210.A O no hydrogen 2.890 N/A SER 215.A N THR 211.A O no hydrogen 2.877 N/A SER 215.A N GLY 212.A O no hydrogen 3.177 N/A SER 215.A OG GLY 212.A O no hydrogen 2.753 N/A VAL 216.A N GLY 212.A O no hydrogen 3.195 N/A ILE 217.A N ILE 213.A O no hydrogen 3.044 N/A PHE 218.A N LEU 214.A O no hydrogen 3.076 N/A SER 219.A N SER 215.A O no hydrogen 3.019 N/A SER 219.A OG SER 215.A O no hydrogen 2.897 N/A LEU 220.A N VAL 216.A O no hydrogen 2.966 N/A HIS 221.A N PHE 218.A O no hydrogen 3.125 N/A HIS 221.A NE2 TYR 196.A OH no hydrogen 2.699 N/A ILE 222.A N PHE 218.A O no hydrogen 3.068 N/A CYS 223.A N SER 219.A O no hydrogen 2.854 N/A ASP 224.A N ARG 84.A O no hydrogen 2.836 N/A GLU 225.A N ARG 84.A O no hydrogen 3.121 N/A ASP 227.A N CYS 86.A O no hydrogen 2.980 N/A LEU 228.A N ARG 268.A O no hydrogen 2.782 N/A TYR 229.A N VAL 88.A O no hydrogen 2.906 N/A ASP 234.A N ASN 238.A O no hydrogen 3.061 N/A SER 235.A N ARG 273.A OXT no hydrogen 3.012 N/A SER 235.A OG ARG 273.A O no hydrogen 2.528 N/A LYS 236.A N ASP 234.A OD1 no hydrogen 2.829 N/A GLY 237.A N ASP 234.A O no hydrogen 2.876 N/A ASN 238.A N ASP 234.A OD1 no hydrogen 2.893 N/A HIS 241.A ND1 GLU 244.A OE2 no hydrogen 3.162 N/A TYR 242.A N ASN 91.A O no hydrogen 2.957 N/A TYR 242.A OH PRO 116.A O no hydrogen 2.558 N/A HIS 249.A ND1 TYR 208.A O no hydrogen 2.751 N/A PHE 253.A N ASP 250.A OD1 no hydrogen 2.940 N/A GLU 254.A N ASP 250.A O no hydrogen 2.832 N/A SER 255.A N GLY 251.A O no hydrogen 2.892 N/A ASN 256.A N ASP 252.A O no hydrogen 2.878 N/A VAL 257.A N PHE 253.A O no hydrogen 2.962 N/A THR 258.A N GLU 254.A O no hydrogen 3.193 N/A THR 258.A OG1 SER 255.A O no hydrogen 3.072 N/A THR 259.A N SER 255.A O no hydrogen 2.906 N/A THR 259.A OG1 SER 255.A O no hydrogen 3.082 N/A ILE 260.A N ASN 256.A O no hydrogen 2.907 N/A LEU 261.A N VAL 257.A O no hydrogen 2.879 N/A ALA 262.A N THR 258.A O no hydrogen 2.886 N/A SER 263.A N THR 259.A O no hydrogen 3.021 N/A SER 263.A OG ILE 260.A O no hydrogen 2.685 N/A ILE 264.A N ILE 260.A O no hydrogen 3.174 N/A ASN 265.A N ALA 262.A O no hydrogen 3.008 N/A LYS 266.A N LEU 261.A O no hydrogen 2.964 N/A LYS 266.A NZ CYS 9.A O no hydrogen 3.284 N/A LYS 266.A NZ ILE 10.A O no hydrogen 2.600 N/A LYS 266.A NZ GLU 12.A O no hydrogen 2.828 N/A ARG 268.A N VAL 226.A O no hydrogen 3.050 N/A PHE 270.A N LEU 228.A O no hydrogen 2.742 N/A GLY 272.A N TYR 100.A OH no hydrogen 2.834 N/A ARG 273.A N ASN 94.A O no hydrogen 2.814 N/A ARG 273.A NH1 GLU 97.A O no hydrogen 2.690 N/A