Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u0k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 276.A OE2 no hydrogen 2.711 N/A ARG 2.A NH1 THR 279.A O no hydrogen 3.204 N/A ARG 2.A NH2 THR 279.A O no hydrogen 2.690 N/A ARG 3.A NH2 ASP 24.A OD2 no hydrogen 2.918 N/A TYR 4.A N ALA 275.A O no hydrogen 3.036 N/A TRP 5.A N VAL 22.A O no hydrogen 2.849 N/A TRP 5.A NE1 ASP 24.A OD1 no hydrogen 3.163 N/A GLN 6.A N ALA 273.A O no hydrogen 2.990 N/A GLN 6.A NE2 GLN 42.A OE1 no hydrogen 3.063 N/A LEU 7.A N LEU 20.A O no hydrogen 2.875 N/A ASP 8.A N GLN 270.A O no hydrogen 2.904 N/A VAL 9.A N ASN 18.A O no hydrogen 2.883 N/A ALA 11.A N HIS 268.A O no hydrogen 3.009 N/A LEU 15.A N ASP 8.A OD2 no hydrogen 2.855 N/A THR 16.A OG1 ARG 13.A O no hydrogen 2.635 N/A ASN 18.A N VAL 9.A O no hydrogen 2.822 N/A ASN 18.A ND2 ASP 213.A OD1 no hydrogen 3.045 N/A ASN 18.A ND2 ALA 215.A O no hydrogen 2.944 N/A LEU 20.A N LEU 7.A O no hydrogen 2.870 N/A VAL 22.A N TRP 5.A O no hydrogen 2.900 N/A PHE 23.A N ILE 46.A O no hydrogen 2.913 N/A ALA 26.A N LEU 48.A O no hydrogen 2.841 N/A SER 27.A N ASP 25.A OD1 no hydrogen 3.069 N/A SER 27.A OG ASP 25.A OD1 no hydrogen 2.782 N/A LEU 29.A N ALA 26.A O no hydrogen 3.031 N/A ALA 33.A N ASP 30.A OD1 no hydrogen 2.896 N/A ALA 35.A N ALA 32.A O no hydrogen 2.911 N/A TRP 36.A N ALA 33.A O no hydrogen 2.846 N/A ARG 38.A N GLN 34.A O no hydrogen 3.126 N/A ARG 38.A NE LEU 64.A O no hydrogen 2.910 N/A ARG 38.A NH2 LEU 64.A O no hydrogen 3.182 N/A GLU 39.A N ALA 35.A O no hydrogen 2.917 N/A LEU 40.A N TRP 36.A O no hydrogen 3.016 N/A ARG 41.A N THR 37.A O no hydrogen 3.091 N/A GLN 42.A NE2 LEU 40.A O no hydrogen 3.399 N/A SER 45.A N PHE 62.A O no hydrogen 3.013 N/A ILE 46.A N ALA 21.A O no hydrogen 2.964 N/A PHE 47.A N ARG 60.A O no hydrogen 2.844 N/A LEU 48.A N PHE 23.A O no hydrogen 2.894 N/A LEU 49.A N ARG 58.A O no hydrogen 2.861 N/A ARG 55.A N ASP 53.A OD1 no hydrogen 2.959 N/A ARG 55.A NH1 GLN 92.A OE1 no hydrogen 2.952 N/A ARG 55.A NH1 HIS 93.A O no hydrogen 3.123 N/A ARG 55.A NH2 GLN 92.A OE1 no hydrogen 2.783 N/A ALA 56.A N ASP 53.A O no hydrogen 3.128 N/A PHE 57.A N THR 95.A O no hydrogen 3.050 N/A ARG 58.A N LEU 49.A O no hydrogen 3.144 N/A ALA 59.A N HIS 97.A O no hydrogen 2.876 N/A ARG 60.A N PHE 47.A O no hydrogen 2.933 N/A ARG 60.A NE GLU 67.A OE2 no hydrogen 2.712 N/A ARG 60.A NH1 ASP 31.A OD1 no hydrogen 2.997 N/A ARG 60.A NH2 ASP 31.A OD2 no hydrogen 3.023 N/A ARG 60.A NH2 GLU 67.A OE1 no hydrogen 2.966 N/A ARG 60.A NH2 GLU 67.A OE2 no hydrogen 3.513 N/A PHE 62.A N SER 45.A O no hydrogen 3.029 N/A THR 63.A N GLU 66.A O no hydrogen 2.892 N/A THR 63.A OG1 GLU 66.A O no hydrogen 3.260 N/A GLU 65.A N THR 63.A OG1 no hydrogen 3.109 N/A GLU 66.A N THR 63.A OG1 no hydrogen 3.218 N/A LEU 68.A N ILE 61.A O no hydrogen 2.875 N/A PHE 70.A N LEU 68.A O no hydrogen 2.858 N/A LEU 75.A N GLY 72.A O no hydrogen 3.024 N/A GLY 77.A N HIS 73.A O no hydrogen 3.267 N/A ALA 78.A N PRO 74.A O no hydrogen 2.964 N/A ALA 79.A N LEU 75.A O no hydrogen 2.972 N/A ALA 80.A N LEU 76.A O no hydrogen 3.108 N/A LEU 81.A N GLY 77.A O no hydrogen 3.021 N/A LEU 82.A N ALA 78.A O no hydrogen 2.872 N/A HIS 83.A N ALA 79.A O no hydrogen 3.057 N/A HIS 84.A N ALA 80.A O no hydrogen 2.964 N/A LEU 85.A N LEU 81.A O no hydrogen 2.931 N/A ARG 86.A N LEU 82.A O no hydrogen 2.952 N/A GLY 87.A N HIS 83.A O no hydrogen 2.920 N/A GLN 92.A N SER 107.A O no hydrogen 2.904 N/A GLN 92.A NE2 ASN 90.A O no hydrogen 3.107 N/A TRP 94.A N LEU 105.A O no hydrogen 2.938 N/A TRP 94.A NE1 SER 107.A OG no hydrogen 2.973 N/A THR 95.A N ARG 55.A O no hydrogen 2.881 N/A LEU 96.A N VAL 103.A O no hydrogen 2.931 N/A HIS 97.A N PHE 57.A O no hydrogen 2.829 N/A LEU 98.A N LYS 101.A O no hydrogen 2.838 N/A SER 100.A OG PRO 69.A O no hydrogen 2.923 N/A LYS 101.A NZ GLN 119.A O no hydrogen 2.690 N/A LYS 101.A NZ THR 157.A O no hydrogen 2.952 N/A VAL 103.A N LEU 96.A O no hydrogen 2.885 N/A LEU 105.A N TRP 94.A O no hydrogen 2.905 N/A ARG 106.A N GLU 117.A O no hydrogen 2.972 N/A ARG 106.A NE GLU 117.A OE2 no hydrogen 3.158 N/A ARG 106.A NH2 GLU 117.A OE1 no hydrogen 3.031 N/A SER 107.A N GLN 92.A O no hydrogen 2.868 N/A VAL 108.A N TYR 115.A O no hydrogen 2.901 N/A ARG 109.A NE GLY 88.A O no hydrogen 2.956 N/A ARG 109.A NH2 GLY 88.A O no hydrogen 3.357 N/A ALA 110.A N GLY 113.A O no hydrogen 2.976 N/A SER 112.A OG GLN 270.A OE1 no hydrogen 2.886 N/A GLY 113.A N ALA 110.A O no hydrogen 2.974 N/A PHE 114.A N VAL 269.A O no hydrogen 2.952 N/A TYR 115.A N VAL 108.A O no hydrogen 2.852 N/A TYR 115.A OH ASP 254.A OD2 no hydrogen 2.611 N/A ALA 116.A N GLY 267.A O no hydrogen 2.977 N/A GLU 117.A N ARG 106.A O no hydrogen 2.953 N/A GLN 119.A N VAL 263.A O no hydrogen 2.894 N/A GLN 119.A NE2 GLY 217.A O no hydrogen 3.038 N/A GLY 120.A N ASP 118.A OD1 no hydrogen 3.207 N/A ARG 121.A NE ASP 260.A O no hydrogen 3.424 N/A ARG 121.A NH2 ASP 260.A O no hydrogen 3.405 N/A GLU 123.A N SER 156.A O no hydrogen 2.809 N/A GLY 125.A N VAL 154.A O no hydrogen 2.765 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.997 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 2.644 N/A CYS 133.A N ASP 129.A O no hydrogen 3.044 N/A CYS 133.A SG PRO 128.A O no hydrogen 3.598 N/A CYS 133.A SG ASP 129.A O no hydrogen 3.279 N/A ARG 134.A N ALA 130.A O no hydrogen 3.297 N/A ARG 134.A NE GLU 138.A OE2 no hydrogen 3.393 N/A TRP 135.A N GLY 131.A O no hydrogen 3.092 N/A PHE 136.A N THR 132.A O no hydrogen 3.109 N/A ALA 137.A N CYS 133.A O no hydrogen 3.241 N/A GLU 138.A N ARG 134.A O no hydrogen 3.227 N/A ALA 139.A N TRP 135.A O no hydrogen 3.019 N/A PHE 140.A N ALA 137.A O no hydrogen 3.063 N/A SER 141.A N GLU 138.A O no hydrogen 3.142 N/A SER 141.A OG ARG 175.A O no hydrogen 2.834 N/A LEU 142.A N ALA 137.A O no hydrogen 2.904 N/A SER 143.A N ASP 146.A OD1 no hydrogen 3.222 N/A SER 143.A OG ASN 145.A OD1 no hydrogen 2.696 N/A ASP 146.A N SER 143.A O no hydrogen 3.153 N/A LEU 147.A N ALA 144.A O no hydrogen 3.413 N/A SER 148.A N PRO 165.A O no hydrogen 2.994 N/A ARG 153.A N LEU 163.A O no hydrogen 3.198 N/A ARG 153.A NE GLY 125.A O no hydrogen 3.367 N/A ARG 153.A NH1 TYR 230.A OH no hydrogen 3.192 N/A ARG 153.A NH2 GLY 125.A O no hydrogen 2.772 N/A VAL 154.A N ALA 126.A O no hydrogen 3.081 N/A VAL 155.A N TYR 161.A O no hydrogen 2.920 N/A SER 156.A N GLU 123.A O no hydrogen 3.049 N/A THR 157.A OG1 GLN 119.A OE1 no hydrogen 2.833 N/A GLY 158.A N SER 156.A OG no hydrogen 3.037 N/A TYR 161.A N VAL 155.A O no hydrogen 3.073 N/A TYR 161.A OH SER 218.A OG no hydrogen 2.565 N/A LEU 162.A N PHE 191.A O no hydrogen 2.851 N/A LEU 163.A N ARG 153.A O no hydrogen 2.866 N/A LEU 164.A N TYR 193.A O no hydrogen 3.050 N/A VAL 166.A N LEU 195.A O no hydrogen 2.884 N/A THR 167.A N ASP 146.A O no hydrogen 3.029 N/A ALA 170.A N THR 167.A OG1 no hydrogen 3.121 N/A LEU 171.A N THR 167.A O no hydrogen 2.981 N/A ARG 173.A N ALA 170.A O no hydrogen 3.301 N/A ARG 175.A N PHE 140.A O no hydrogen 3.120 N/A GLN 176.A NE2 ASN 178.A O no hydrogen 3.372 N/A GLN 176.A NE2 ASN 207.A O no hydrogen 2.935 N/A VAL 177.A N ALA 139.A O no hydrogen 2.859 N/A ASN 178.A ND2 VAL 177.A O no hydrogen 2.949 N/A GLN 181.A NE2 GLN 181.A O no hydrogen 3.074 N/A GLN 181.A NE2 ASP 185.A OD1 no hydrogen 2.804 N/A LEU 184.A N LEU 180.A O no hydrogen 2.911 N/A ASP 185.A N GLN 181.A O no hydrogen 2.905 N/A LYS 186.A N GLU 182.A O no hydrogen 3.206 N/A LEU 187.A N LEU 184.A O no hydrogen 3.058 N/A GLY 188.A N ASP 185.A O no hydrogen 3.227 N/A ALA 189.A N LEU 184.A O no hydrogen 3.016 N/A ALA 190.A N PRO 160.A O no hydrogen 2.891 N/A PHE 191.A N PRO 160.A O no hydrogen 3.495 N/A TYR 193.A N LEU 162.A O no hydrogen 2.966 N/A TYR 193.A OH GLN 243.A OE1 no hydrogen 2.758 N/A LEU 194.A N ARG 203.A O no hydrogen 2.949 N/A LEU 195.A N LEU 164.A O no hydrogen 3.157 N/A ASP 196.A N GLU 201.A O no hydrogen 2.876 N/A ASP 198.A N ASP 196.A OD1 no hydrogen 3.258 N/A GLY 199.A N ASP 196.A OD1 no hydrogen 3.240 N/A ARG 200.A NH2 LEU 232.A O no hydrogen 3.156 N/A GLU 201.A N ASP 196.A O no hydrogen 3.194 N/A GLY 202.A N HIS 242.A O no hydrogen 3.113 N/A ARG 203.A N LEU 194.A O no hydrogen 2.954 N/A ARG 203.A NE GLU 212.A OE2 no hydrogen 3.032 N/A ARG 203.A NH1 LEU 171.A O no hydrogen 3.069 N/A ARG 203.A NH2 GLU 212.A OE1 no hydrogen 2.959 N/A THR 204.A OG1 VAL 192.A O no hydrogen 2.838 N/A ASP 206.A N VAL 211.A O no hydrogen 2.983 N/A ASN 207.A ND2 GLN 181.A OE1 no hydrogen 3.096 N/A GLY 209.A N ASP 206.A O no hydrogen 3.056 N/A LEU 210.A N ASP 206.A OD1 no hydrogen 3.037 N/A VAL 211.A N ASP 206.A OD2 no hydrogen 3.161 N/A ASP 213.A N THR 204.A O no hydrogen 2.976 N/A THR 216.A N GLN 243.A OE1 no hydrogen 3.097 N/A THR 216.A OG1 ASP 213.A OD2 no hydrogen 2.639 N/A GLY 217.A N HIS 73.A ND1 no hydrogen 3.391 N/A SER 218.A OG TYR 161.A OH no hydrogen 2.565 N/A ALA 219.A N THR 216.A O no hydrogen 3.174 N/A ALA 220.A N THR 216.A O no hydrogen 3.003 N/A VAL 223.A N ALA 219.A O no hydrogen 2.905 N/A ALA 224.A N ALA 220.A O no hydrogen 2.978 N/A ALA 225.A N GLY 221.A O no hydrogen 2.964 N/A TYR 226.A N PRO 222.A O no hydrogen 2.898 N/A TYR 226.A OH PRO 151.A O no hydrogen 2.717 N/A LEU 227.A N VAL 223.A O no hydrogen 2.952 N/A VAL 228.A N ALA 224.A O no hydrogen 3.128 N/A GLU 229.A N ALA 225.A O no hydrogen 2.909 N/A TYR 230.A N TYR 226.A O no hydrogen 3.036 N/A GLY 231.A N VAL 228.A O no hydrogen 3.307 N/A LEU 232.A N LEU 227.A O no hydrogen 2.723 N/A ALA 233.A N LEU 227.A O no hydrogen 3.134 N/A ARG 235.A NH1 ALA 258.A O no hydrogen 3.247 N/A GLY 236.A N VAL 257.A O no hydrogen 2.836 N/A PHE 239.A N VAL 255.A O no hydrogen 3.217 N/A LEU 241.A N LEU 253.A O no hydrogen 2.881 N/A HIS 242.A N ARG 200.A O no hydrogen 2.898 N/A GLN 243.A N SER 251.A O no hydrogen 3.285 N/A GLN 243.A NE2 ASP 213.A O no hydrogen 3.002 N/A GLN 243.A NE2 THR 216.A OG1 no hydrogen 2.963 N/A ARG 245.A NE GLU 201.A OE1 no hydrogen 3.294 N/A ARG 245.A NE GLU 201.A OE2 no hydrogen 2.805 N/A ARG 245.A NH2 GLU 201.A OE1 no hydrogen 3.353 N/A LEU 247.A N GLY 244.A O no hydrogen 3.037 N/A GLU 248.A N ARG 245.A O no hydrogen 3.090 N/A ARG 249.A N GLY 244.A O no hydrogen 3.006 N/A ARG 249.A NE GLY 17.A O no hydrogen 2.687 N/A ARG 249.A NH2 GLY 17.A O no hydrogen 3.038 N/A SER 251.A N GLN 243.A O no hydrogen 2.912 N/A SER 251.A OG ARG 249.A O no hydrogen 2.848 N/A ARG 252.A NH2 GLU 12.A OE1 no hydrogen 3.145 N/A LEU 253.A N LEU 241.A O no hydrogen 2.967 N/A ASP 254.A N GLY 266.A O no hydrogen 2.969 N/A VAL 255.A N PHE 239.A O no hydrogen 2.968 N/A GLN 256.A N ARG 264.A O no hydrogen 3.079 N/A ALA 258.A N SER 262.A O no hydrogen 2.849 N/A GLY 261.A N ALA 258.A O no hydrogen 3.347 N/A VAL 263.A N GLY 120.A O no hydrogen 2.954 N/A ARG 264.A N GLN 256.A O no hydrogen 2.862 N/A GLY 266.A N ASP 254.A O no hydrogen 2.854 N/A GLY 267.A N ALA 116.A O no hydrogen 2.950 N/A VAL 269.A N PHE 114.A O no hydrogen 2.828 N/A GLN 270.A N ASP 8.A O no hydrogen 2.941 N/A GLN 270.A NE2 ALA 11.A O no hydrogen 2.930 N/A LEU 272.A N GLN 6.A O no hydrogen 2.839 N/A ALA 273.A N GLN 6.A O no hydrogen 3.329 N/A ALA 275.A N TYR 4.A O no hydrogen 2.821 N/A LEU 277.A N ARG 2.A O no hydrogen 2.950 N/A