Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wkx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N GLU 1.A O no hydrogen 3.248 N/A VAL 5.A N LEU 12.A O no hydrogen 2.789 N/A LYS 7.A N TYR 10.A O no hydrogen 2.975 N/A GLN 11.A NE2 GLU 6.A OE2 no hydrogen 3.338 N/A LEU 12.A N VAL 5.A O no hydrogen 2.751 N/A THR 14.A N GLY 3.A O no hydrogen 2.715 N/A THR 14.A OG1 GLY 3.A O no hydrogen 3.087 N/A ARG 15.A N ASP 13.A OD1 no hydrogen 3.131 N/A ARG 15.A NE LYS 2.A O no hydrogen 2.939 N/A ARG 15.A NH2 LYS 2.A O no hydrogen 3.157 N/A ALA 21.A N GLN 19.A O no hydrogen 2.997 N/A LYS 26.A N THR 95.A O no hydrogen 2.797 N/A VAL 27.A N THR 95.A O no hydrogen 3.194 N/A LEU 28.A N ASN 143.A O no hydrogen 2.878 N/A VAL 29.A N ILE 97.A O no hydrogen 2.860 N/A ILE 30.A N VAL 145.A O no hydrogen 2.836 N/A HIS 31.A N ILE 99.A O no hydrogen 2.968 N/A HIS 31.A NE2 HIS 80.A ND1 no hydrogen 2.889 N/A TYR 32.A N ASP 157.A OD1 no hydrogen 3.354 N/A THR 33.A N LEU 101.A O no hydrogen 3.021 N/A THR 33.A OG1 ASP 35.A O no hydrogen 2.814 N/A THR 33.A OG1 SER 40.A OG no hydrogen 3.158 N/A ASP 35.A N THR 33.A OG1 no hydrogen 3.219 N/A ASP 36.A N ASP 35.A OD1 no hydrogen 2.927 N/A SER 39.A N ASP 36.A OD1 no hydrogen 2.999 N/A SER 39.A OG.A ASP 35.A OD1 no hydrogen 3.492 N/A SER 39.A OG.A ASP 35.A OD2 no hydrogen 2.631 N/A SER 39.A OG.B ASP 36.A OD1 no hydrogen 2.987 N/A SER 39.A OG.B ASP 36.A OD2 no hydrogen 3.023 N/A SER 40.A N ASP 36.A O no hydrogen 2.915 N/A SER 40.A OG ASP 35.A O no hydrogen 3.212 N/A SER 40.A OG ASP 36.A O no hydrogen 2.764 N/A LEU 41.A N PHE 37.A O no hydrogen 2.838 N/A ALA 42.A N ASP 38.A O no hydrogen 2.994 N/A THR 43.A N SER 39.A O no hydrogen 2.923 N/A THR 43.A OG1 SER 39.A O no hydrogen 3.180 N/A LEU 44.A N SER 40.A O no hydrogen 2.834 N/A THR 45.A OG1 LEU 41.A O no hydrogen 2.750 N/A THR 45.A OG1 ALA 42.A O no hydrogen 3.383 N/A ASP 46.A N THR 43.A O no hydrogen 3.058 N/A GLN 48.A N ASP 46.A OD1 no hydrogen 2.831 N/A VAL 49.A N ASP 46.A OD1 no hydrogen 3.159 N/A SER 50.A N TRP 79.A O no hydrogen 3.042 N/A SER 51.A OG TYR 53.A O no hydrogen 2.965 N/A HIS 52.A N GLY 98.A O no hydrogen 2.991 N/A HIS 52.A NE2 GLU 76.A O no hydrogen 2.740 N/A TYR 53.A N GLY 98.A O no hydrogen 3.235 N/A TYR 53.A OH GLU 74.A OE2 no hydrogen 2.570 N/A LEU 54.A N TRP 69.A O no hydrogen 2.858 N/A VAL 55.A N GLU 100.A O no hydrogen 2.829 N/A ALA 57.A N GLU 102.A OE2 no hydrogen 2.847 N/A TYR 62.A N LYS 65.A O no hydrogen 2.922 N/A LYS 65.A N TYR 62.A O no hydrogen 3.045 N/A ARG 67.A N PRO 60.A O no hydrogen 2.817 N/A TRP 69.A N LEU 54.A O no hydrogen 3.006 N/A GLN 70.A NE2 VAL 72.A O no hydrogen 3.053 N/A LEU 71.A N HIS 52.A O no hydrogen 2.820 N/A GLU 76.A N PRO 73.A O no hydrogen 3.073 N/A TRP 79.A N SER 50.A OG no hydrogen 2.846 N/A HIS 80.A N ASN 93.A OD1 no hydrogen 3.153 N/A HIS 80.A ND1 HIS 31.A NE2 no hydrogen 2.889 N/A ALA 81.A N ASN 93.A OD1 no hydrogen 2.806 N/A SER 84.A OG GLY 82.A O no hydrogen 2.851 N/A ALA 85.A N ILE 150.A O no hydrogen 2.957 N/A TRP 86.A N ALA 89.A O no hydrogen 2.931 N/A TRP 86.A NE1 ASN 143.A OD1 no hydrogen 3.021 N/A ARG 87.A N GLY 207.A O no hydrogen 2.996 N/A ARG 87.A NE ASP 257.A O no hydrogen 2.876 N/A ARG 87.A NH1 TYR 206.A O no hydrogen 2.796 N/A ARG 87.A NH1 GLY 255.A O no hydrogen 3.228 N/A ARG 87.A NH2 TYR 254.A O no hydrogen 3.564 N/A ARG 87.A NH2 GLY 255.A O no hydrogen 3.035 N/A ARG 87.A NH2 ASP 257.A O no hydrogen 2.743 N/A ALA 89.A N TRP 86.A O no hydrogen 3.013 N/A LEU 92.A N SER 84.A OG no hydrogen 3.022 N/A ASP 94.A N ARG 91.A O no hydrogen 2.919 N/A THR 95.A N LEU 92.A O no hydrogen 3.255 N/A SER 96.A OG HIS 80.A NE2 no hydrogen 2.889 N/A SER 96.A OG LEU 92.A O no hydrogen 2.672 N/A ILE 97.A N VAL 27.A O no hydrogen 3.000 N/A GLY 98.A N HIS 52.A ND1 no hydrogen 3.072 N/A ILE 99.A N VAL 29.A O no hydrogen 2.898 N/A GLU 100.A N TYR 53.A O no hydrogen 2.827 N/A LEU 101.A N HIS 31.A O no hydrogen 2.963 N/A GLU 102.A N VAL 55.A O no hydrogen 2.959 N/A ASN 103.A ND2 ALA 116.A O no hydrogen 3.051 N/A GLY 105.A N ASN 103.A OD1 no hydrogen 2.875 N/A GLN 107.A N TYR 114.A O no hydrogen 2.948 N/A SER 109.A N VAL 112.A O no hydrogen 2.858 N/A VAL 112.A N SER 109.A O no hydrogen 3.245 N/A TYR 114.A N GLN 107.A O no hydrogen 2.921 N/A ALA 116.A N GLY 105.A O no hydrogen 3.043 N/A GLN 122.A N GLU 119.A O no hydrogen 2.992 N/A GLN 122.A NE2 VAL 55.A O no hydrogen 3.056 N/A GLN 122.A NE2 PRO 56.A O no hydrogen 3.114 N/A GLN 122.A NE2 GLU 102.A O no hydrogen 2.925 N/A ILE 123.A N GLU 119.A O no hydrogen 3.326 N/A GLN 124.A N PRO 120.A O no hydrogen 2.838 N/A ALA 125.A N ALA 121.A O no hydrogen 3.095 N/A LEU 126.A N GLN 122.A O no hydrogen 2.941 N/A ILE 127.A N ILE 123.A O no hydrogen 3.008 N/A ALA 130.A N LEU 126.A O no hydrogen 2.862 N/A LYS 131.A N ILE 127.A O no hydrogen 2.937 N/A LYS 131.A NZ GLN 170.A O no hydrogen 2.960 N/A ASP 132.A N PRO 128.A O no hydrogen 2.967 N/A ILE 133.A N LEU 129.A O no hydrogen 2.995 N/A ILE 134.A N ALA 130.A O no hydrogen 2.892 N/A ALA 135.A N LYS 131.A O no hydrogen 2.922 N/A ARG 136.A N ASP 132.A O no hydrogen 2.949 N/A ARG 136.A NH2 GLU 74.A OE1 no hydrogen 3.066 N/A TYR 137.A N ILE 133.A O no hydrogen 3.191 N/A TYR 137.A OH GLU 74.A OE1 no hydrogen 2.608 N/A ILE 139.A N ILE 134.A O no hydrogen 3.115 N/A LYS 140.A NZ ASP 257.A OD2 no hydrogen 2.651 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.846 N/A ASN 143.A N LYS 140.A O no hydrogen 2.946 N/A VAL 144.A N PRO 141.A O no hydrogen 3.164 N/A VAL 145.A N LEU 28.A O no hydrogen 2.851 N/A ALA 146.A N ASP 149.A OD2 no hydrogen 2.879 N/A HIS 147.A N ILE 30.A O no hydrogen 3.088 N/A HIS 147.A NE2 ALA 81.A O no hydrogen 2.877 N/A ALA 148.A N ASP 157.A O no hydrogen 3.039 N/A ASP 149.A N ALA 146.A O no hydrogen 3.012 N/A ILE 150.A N HIS 147.A O no hydrogen 3.078 N/A ALA 151.A N HIS 147.A O no hydrogen 2.933 N/A GLN 153.A NE2 GLU 218.A O no hydrogen 2.886 N/A ARG 154.A N ALA 151.A O no hydrogen 3.037 N/A ARG 154.A NH2 ILE 83.A O no hydrogen 2.928 N/A LYS 155.A N ALA 151.A O no hydrogen 2.993 N/A PHE 162.A N GLY 159.A O no hydrogen 3.290 N/A TRP 164.A N PHE 162.A O no hydrogen 2.878 N/A LEU 167.A N PRO 163.A O no hydrogen 3.134 N/A ALA 168.A N TRP 164.A O no hydrogen 2.843 N/A GLN 169.A N GLN 165.A O no hydrogen 3.015 N/A GLN 170.A N LEU 167.A O no hydrogen 2.964 N/A GLY 171.A N ALA 168.A O no hydrogen 2.933 N/A ILE 172.A N LEU 167.A O no hydrogen 2.900 N/A TRP 175.A N TYR 254.A OH no hydrogen 3.050 N/A ARG 180.A N ASP 177.A O no hydrogen 2.984 N/A ARG 180.A NE GLU 252.A OE2 no hydrogen 2.762 N/A ARG 180.A NH2 GLU 252.A OE1 no hydrogen 2.808 N/A ARG 180.A NH2 GLU 252.A OE2 no hydrogen 3.538 N/A VAL 181.A N ASP 177.A O no hydrogen 3.100 N/A ASN 182.A N ALA 178.A O no hydrogen 3.087 N/A PHE 183.A N GLN 179.A O no hydrogen 2.998 N/A TYR 184.A N ARG 180.A O no hydrogen 2.977 N/A TYR 184.A OH GLU 252.A OE1 no hydrogen 2.569 N/A LEU 185.A N VAL 181.A O no hydrogen 2.965 N/A ALA 186.A N PHE 183.A O no hydrogen 3.150 N/A ARG 188.A N LEU 185.A O no hydrogen 3.035 N/A ARG 188.A NE LEU 185.A O no hydrogen 2.855 N/A ARG 188.A NH1 GLN 244.A OE1 no hydrogen 2.683 N/A ARG 188.A NH2 TYR 184.A O no hydrogen 3.039 N/A ARG 188.A NH2 GLN 244.A OE1 no hydrogen 2.874 N/A HIS 191.A ND1 ASP 240.A OD2 no hydrogen 3.091 N/A THR 192.A N ALA 189.A O no hydrogen 3.065 N/A THR 192.A OG1 ALA 189.A O no hydrogen 2.877 N/A VAL 194.A N ALA 239.A O no hydrogen 3.161 N/A SER 198.A N ASP 195.A OD1 no hydrogen 3.177 N/A LEU 199.A N ASP 195.A O no hydrogen 3.237 N/A LEU 200.A N THR 196.A O no hydrogen 2.906 N/A GLU 201.A N ALA 197.A O no hydrogen 3.016 N/A LEU 203.A N LEU 199.A O no hydrogen 3.033 N/A ALA 204.A N LEU 200.A O no hydrogen 2.893 N/A ARG 205.A N GLU 201.A O no hydrogen 3.012 N/A TYR 206.A N LEU 202.A O no hydrogen 2.865 N/A GLY 207.A N LEU 203.A O no hydrogen 2.961 N/A TYR 208.A N LEU 203.A O no hydrogen 2.927 N/A TYR 208.A OH ASP 149.A OD1 no hydrogen 2.675 N/A THR 215.A N GLU 218.A OE1 no hydrogen 3.025 N/A GLU 218.A N THR 215.A OG1 no hydrogen 3.235 N/A GLN 219.A N THR 215.A O no hydrogen 2.934 N/A GLN 219.A NE2 MET 214.A O no hydrogen 2.964 N/A ARG 220.A N PRO 216.A O no hydrogen 2.901 N/A ARG 221.A N ARG 217.A O no hydrogen 2.922 N/A ARG 221.A NE PRO 152.A O no hydrogen 2.822 N/A ARG 221.A NH1 ASP 156.A OD1 no hydrogen 2.876 N/A ARG 221.A NH2 PRO 152.A O no hydrogen 2.767 N/A ARG 221.A NH2 ASP 156.A OD1 no hydrogen 2.789 N/A VAL 222.A N GLU 218.A O no hydrogen 3.284 N/A ILE 223.A N GLN 219.A O no hydrogen 3.223 N/A MET 224.A N ARG 220.A O no hydrogen 2.835 N/A ALA 225.A N ARG 221.A O no hydrogen 2.925 N/A PHE 226.A N VAL 222.A O no hydrogen 3.069 N/A GLN 227.A N ILE 223.A O no hydrogen 2.884 N/A GLN 227.A NE2 GLU 238.A O no hydrogen 3.081 N/A GLN 227.A NE2 THR 243.A OG1 no hydrogen 3.018 N/A MET 228.A N MET 224.A O no hydrogen 2.769 N/A HIS 229.A N ALA 225.A O no hydrogen 3.251 N/A HIS 229.A ND1 ASP 149.A OD2 no hydrogen 2.736 N/A PHE 230.A N PHE 226.A O no hydrogen 2.850 N/A ARG 231.A N GLN 227.A O no hydrogen 2.766 N/A ARG 231.A NE ARG 231.A O no hydrogen 3.063 N/A ARG 231.A NE LEU 234.A O no hydrogen 2.943 N/A ARG 231.A NH1 LEU 234.A O no hydrogen 3.003 N/A ARG 231.A NH1 ASP 240.A OD2 no hydrogen 3.191 N/A ARG 231.A NH2 ASP 240.A OD1 no hydrogen 3.436 N/A ARG 231.A NH2 ASP 240.A OD2 no hydrogen 2.944 N/A ARG 231.A NH2 GLU 242.A OE2 no hydrogen 2.943 N/A LEU 234.A N ARG 231.A O no hydrogen 3.203 N/A GLY 237.A N GLN 227.A OE1 no hydrogen 2.872 N/A GLU 238.A N ASN 236.A OD1 no hydrogen 3.251 N/A ALA 241.A N THR 192.A O no hydrogen 2.821 N/A GLU 242.A N PRO 190.A O no hydrogen 2.892 N/A THR 243.A N ASP 240.A OD1 no hydrogen 2.889 N/A THR 243.A OG1 ASP 240.A OD1 no hydrogen 2.666 N/A GLN 244.A N ASP 240.A O no hydrogen 2.978 N/A ALA 245.A N ALA 241.A O no hydrogen 2.841 N/A ILE 246.A N GLU 242.A O no hydrogen 2.958 N/A ALA 247.A N THR 243.A O no hydrogen 3.114 N/A GLU 248.A N GLN 244.A O no hydrogen 2.844 N/A ALA 249.A N ALA 245.A O no hydrogen 2.874 N/A LEU 250.A N ILE 246.A O no hydrogen 2.825 N/A LEU 251.A N ALA 247.A O no hydrogen 2.929 N/A GLU 252.A N GLU 248.A O no hydrogen 2.998 N/A LYS 253.A N ALA 249.A O no hydrogen 3.114 N/A LYS 253.A NZ TRP 175.A O no hydrogen 2.946 N/A LYS 253.A NZ ASP 177.A OD1 no hydrogen 2.958 N/A LYS 253.A NZ TYR 254.A OH no hydrogen 3.292 N/A TYR 254.A N LEU 250.A O no hydrogen 2.791 N/A TYR 254.A OH TRP 175.A O no hydrogen 3.170 N/A GLY 255.A N LEU 251.A O no hydrogen 2.890 N/A