Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 12.A N ASP 15.A OD2 no hydrogen 2.980 N/A GLN 14.A N THR 12.A OG1 no hydrogen 3.353 N/A GLN 14.A NE2 GLN 14.A O no hydrogen 3.607 N/A ASP 15.A N THR 12.A OG1 no hydrogen 3.077 N/A ILE 16.A N THR 12.A O no hydrogen 3.046 N/A ILE 17.A N GLU 13.A O no hydrogen 3.111 N/A ASP 18.A N GLN 14.A O no hydrogen 2.994 N/A LEU 19.A N ASP 15.A O no hydrogen 3.007 N/A LYS 20.A N ILE 16.A O no hydrogen 2.831 N/A LYS 20.A NZ GLU 104.A OE2 no hydrogen 3.179 N/A PHE 21.A N ILE 17.A O no hydrogen 3.010 N/A ALA 22.A N ASP 18.A O no hydrogen 2.864 N/A ILE 23.A N LEU 19.A O no hydrogen 2.942 N/A ALA 24.A N LYS 20.A O no hydrogen 2.724 N/A ASP 25.A N PHE 21.A O no hydrogen 2.958 N/A SER 26.A N ILE 23.A O no hydrogen 3.281 N/A SER 26.A OG ILE 23.A O no hydrogen 2.783 N/A LEU 28.A N SER 26.A OG no hydrogen 3.410 N/A SER 29.A N GLU 32.A OE1 no hydrogen 2.965 N/A SER 29.A OG GLU 32.A OE1 no hydrogen 3.276 N/A SER 31.A OG LEU 185.A O no hydrogen 2.838 N/A GLU 32.A N SER 29.A OG no hydrogen 3.215 N/A LEU 33.A N SER 29.A O no hydrogen 2.900 N/A VAL 34.A N VAL 30.A O no hydrogen 3.003 N/A SER 35.A N SER 31.A O no hydrogen 2.990 N/A SER 35.A OG SER 31.A O no hydrogen 2.793 N/A VAL 36.A N GLU 32.A O no hydrogen 3.063 N/A ALA 37.A N LEU 33.A O no hydrogen 3.424 N/A TRP 38.A N VAL 34.A O no hydrogen 3.017 N/A TRP 38.A NE1 ASP 143.A OD2 no hydrogen 2.839 N/A ALA 39.A N SER 35.A O no hydrogen 2.844 N/A SER 40.A N VAL 36.A O no hydrogen 3.124 N/A ALA 41.A N ALA 37.A O no hydrogen 3.005 N/A SER 42.A N TRP 38.A O no hydrogen 2.925 N/A SER 42.A OG TRP 38.A O no hydrogen 2.812 N/A THR 43.A OG1 SER 40.A O no hydrogen 3.514 N/A PHE 44.A N ALA 41.A O no hydrogen 3.393 N/A GLY 46.A N GLN 167.A O no hydrogen 2.864 N/A ASP 48.A N ARG 45.A O no hydrogen 3.203 N/A ARG 50.A NE ASP 48.A OD2 no hydrogen 3.481 N/A GLY 52.A N THR 43.A OG1 no hydrogen 2.806 N/A ASN 54.A N ASP 287.A OD2 no hydrogen 2.749 N/A ALA 56.A N ALA 53.A O no hydrogen 3.232 N/A ARG 57.A NE THR 130.A OG1 no hydrogen 3.195 N/A ARG 57.A NH2 GLN 129.A O no hydrogen 3.196 N/A ALA 59.A N ALA 56.A O no hydrogen 3.148 N/A LEU 60.A N ARG 57.A O no hydrogen 3.025 N/A MET 61.A N GLN 127.A OE1 no hydrogen 3.060 N/A ARG 64.A N LEU 60.A O no hydrogen 2.822 N/A ARG 64.A NH1 ALA 59.A O no hydrogen 2.879 N/A ARG 64.A NH1 GLU 80.A OE1 no hydrogen 2.735 N/A ARG 64.A NH2 GLU 80.A OE1 no hydrogen 3.441 N/A ARG 64.A NH2 GLU 80.A OE2 no hydrogen 2.880 N/A ASP 65.A N PRO 62.A O no hydrogen 3.163 N/A TRP 66.A N GLN 63.A O no hydrogen 3.142 N/A TRP 66.A NE1 GLU 136.A OE1 no hydrogen 3.040 N/A ASN 69.A N TRP 66.A O no hydrogen 2.885 N/A ASN 69.A ND2 GLN 63.A O no hydrogen 3.034 N/A ALA 70.A N ASP 67.A O no hydrogen 3.246 N/A VAL 73.A N ASN 69.A O no hydrogen 2.721 N/A ARG 74.A N ALA 71.A O no hydrogen 3.027 N/A ALA 75.A N ALA 72.A O no hydrogen 3.163 N/A LEU 79.A N ALA 75.A O no hydrogen 3.179 N/A GLU 80.A N LEU 76.A O no hydrogen 2.569 N/A LYS 81.A N PRO 77.A O no hydrogen 2.980 N/A ILE 82.A N VAL 78.A O no hydrogen 3.061 N/A GLN 83.A N LEU 79.A O no hydrogen 3.000 N/A GLN 83.A NE2 ALA 89.A O no hydrogen 2.842 N/A LYS 84.A N GLU 80.A O no hydrogen 3.068 N/A GLU 85.A N LYS 81.A O no hydrogen 2.953 N/A SER 86.A N GLN 83.A O no hydrogen 3.180 N/A SER 86.A OG ILE 82.A O no hydrogen 2.709 N/A SER 86.A OG GLN 83.A O no hydrogen 3.302 N/A GLY 87.A N GLN 83.A O no hydrogen 2.837 N/A SER 90.A OG ARG 122.A O no hydrogen 2.595 N/A LEU 91.A N ASP 124.A OD2 no hydrogen 2.923 N/A ALA 92.A N ASP 124.A OD1 no hydrogen 2.880 N/A ASP 93.A N SER 90.A OG no hydrogen 3.141 N/A ILE 94.A N SER 90.A O no hydrogen 3.036 N/A ILE 95.A N LEU 91.A O no hydrogen 2.726 N/A VAL 96.A N ALA 92.A O no hydrogen 3.276 N/A LEU 97.A N ASP 93.A O no hydrogen 2.877 N/A ALA 98.A N ILE 94.A O no hydrogen 2.854 N/A GLY 99.A N ILE 95.A O no hydrogen 3.213 N/A VAL 100.A N VAL 96.A O no hydrogen 3.073 N/A VAL 101.A N LEU 97.A O no hydrogen 3.018 N/A GLY 102.A N ALA 98.A O no hydrogen 2.841 N/A VAL 103.A N GLY 99.A O no hydrogen 2.973 N/A GLU 104.A N VAL 100.A O no hydrogen 2.825 N/A LYS 105.A N VAL 101.A O no hydrogen 2.791 N/A LYS 105.A NZ ALA 24.A O no hydrogen 3.113 N/A ALA 106.A N GLY 102.A O no hydrogen 2.963 N/A ALA 107.A N VAL 103.A O no hydrogen 3.008 N/A SER 108.A N GLU 104.A O no hydrogen 2.908 N/A SER 108.A OG GLU 104.A O no hydrogen 3.067 N/A ALA 109.A N LYS 105.A O no hydrogen 2.983 N/A ALA 110.A N ALA 106.A O no hydrogen 3.144 N/A GLY 111.A N SER 108.A O no hydrogen 2.554 N/A LEU 112.A N ALA 107.A O no hydrogen 3.095 N/A VAL 116.A N GLU 104.A OE2 no hydrogen 3.246 N/A GLY 121.A N ASP 93.A OD2 no hydrogen 2.990 N/A ARG 122.A N ASP 93.A OD1 no hydrogen 3.033 N/A ARG 122.A NH1 ASP 93.A OD1 no hydrogen 3.243 N/A ARG 122.A NH1 ALA 119.A O no hydrogen 2.742 N/A ARG 122.A NH2 MET 284.A O no hydrogen 3.170 N/A VAL 123.A N ASN 54.A OD1 no hydrogen 3.027 N/A ALA 125.A N GLY 55.A O no hydrogen 2.893 N/A ARG 126.A NH2 LEU 4.A O no hydrogen 3.097 N/A GLN 127.A NE2 MET 61.A O no hydrogen 3.058 N/A GLN 127.A NE2 GLN 127.A O no hydrogen 3.396 N/A GLN 127.A NE2 THR 130.A O no hydrogen 3.329 N/A GLN 129.A N ARG 126.A O no hydrogen 2.938 N/A THR 130.A N GLN 127.A O no hydrogen 3.115 N/A THR 130.A OG1 ARG 126.A O no hydrogen 3.273 N/A MET 134.A N ASP 131.A OD2 no hydrogen 2.973 N/A PHE 135.A N ASP 131.A O no hydrogen 3.210 N/A GLU 136.A N ILE 132.A O no hydrogen 3.172 N/A LEU 138.A N PHE 135.A O no hydrogen 3.127 N/A GLU 139.A N GLU 136.A O no hydrogen 3.072 N/A ASP 143.A N TYR 148.A O no hydrogen 2.945 N/A ARG 146.A N ASP 143.A O no hydrogen 2.849 N/A ARG 146.A NE ASP 143.A OD2 no hydrogen 2.799 N/A ARG 146.A NH1 ASN 69.A OD1 no hydrogen 2.768 N/A ARG 146.A NH2 ASP 143.A OD2 no hydrogen 3.040 N/A ASN 147.A ND2 ASN 194.A O no hydrogen 3.231 N/A ASN 147.A ND2 ASP 247.A OD2 no hydrogen 3.223 N/A TYR 148.A N ASP 143.A O no hydrogen 2.848 N/A ARG 149.A NE THR 157.A OG1 no hydrogen 3.165 N/A ARG 149.A NH1 ALA 150.A O no hydrogen 3.097 N/A ARG 149.A NH2 SER 155.A O no hydrogen 2.410 N/A ALA 150.A N ILE 141.A O no hydrogen 2.706 N/A SER 155.A OG SER 159.A OG no hydrogen 3.142 N/A THR 157.A OG1 GLU 227.A OE1 no hydrogen 2.775 N/A THR 157.A OG1 GLU 227.A OE2 no hydrogen 3.537 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.771 N/A SER 159.A OG SER 155.A OG no hydrogen 3.142 N/A SER 159.A OG THR 156.A O no hydrogen 3.357 N/A LEU 160.A N THR 156.A O no hydrogen 2.853 N/A LEU 161.A N THR 157.A O no hydrogen 3.150 N/A ILE 162.A N GLU 158.A O no hydrogen 3.268 N/A ASP 163.A N SER 159.A O no hydrogen 3.086 N/A LYS 164.A N LEU 160.A O no hydrogen 2.822 N/A LYS 164.A NZ SER 42.A O no hydrogen 2.800 N/A ALA 165.A N LEU 161.A O no hydrogen 2.718 N/A GLN 166.A N ILE 162.A O no hydrogen 2.856 N/A GLN 167.A N ASP 163.A O no hydrogen 2.804 N/A LEU 168.A N LYS 164.A O no hydrogen 3.062 N/A THR 169.A N GLN 166.A O no hydrogen 3.075 N/A THR 169.A OG1 LEU 168.A O no hydrogen 2.675 N/A LEU 170.A N ALA 165.A O no hydrogen 2.956 N/A THR 171.A N GLU 174.A OE2 no hydrogen 2.306 N/A THR 171.A OG1 GLU 174.A OE2 no hydrogen 3.243 N/A MET 175.A N THR 171.A O no hydrogen 2.873 N/A THR 176.A N ALA 172.A O no hydrogen 3.040 N/A THR 176.A OG1 ALA 172.A O no hydrogen 2.557 N/A ALA 177.A N PRO 173.A O no hydrogen 3.012 N/A LEU 178.A N GLU 174.A O no hydrogen 2.833 N/A VAL 179.A N MET 175.A O no hydrogen 2.978 N/A GLY 180.A N THR 176.A O no hydrogen 3.119 N/A GLY 181.A N ALA 177.A O no hydrogen 3.068 N/A MET 182.A N LEU 178.A O no hydrogen 2.877 N/A ARG 183.A N VAL 179.A O no hydrogen 3.003 N/A ARG 183.A NE ASP 247.A OD1 no hydrogen 2.488 N/A ARG 183.A NH1 GLY 144.A O no hydrogen 3.071 N/A ARG 183.A NH2 GLY 144.A O no hydrogen 2.920 N/A ARG 183.A NH2 ASP 247.A OD1 no hydrogen 2.699 N/A LEU 185.A N GLY 181.A O no hydrogen 2.929 N/A GLY 186.A N ARG 183.A O no hydrogen 3.033 N/A ALA 187.A N MET 182.A O no hydrogen 2.936 N/A ASN 188.A ND2 SER 192.A O no hydrogen 2.910 N/A ASN 188.A ND2 ASN 194.A O no hydrogen 2.872 N/A PHE 189.A N ARG 146.A O no hydrogen 2.879 N/A GLY 191.A N ASN 188.A O no hydrogen 3.234 N/A SER 192.A N ASP 190.A OD2 no hydrogen 3.227 N/A ASN 194.A N SER 192.A OG no hydrogen 2.775 N/A GLY 195.A N THR 242.A O no hydrogen 3.034 N/A VAL 196.A N LYS 193.A O no hydrogen 2.865 N/A PHE 197.A N GLY 195.A O no hydrogen 2.930 N/A THR 198.A N VAL 196.A O no hydrogen 2.877 N/A THR 198.A OG1 ASP 207.A OD2 no hydrogen 2.819 N/A ARG 200.A N THR 198.A OG1 no hydrogen 2.999 N/A ARG 200.A NE ASP 207.A OD2 no hydrogen 3.225 N/A ARG 200.A NH2 ASP 207.A OD1 no hydrogen 3.329 N/A GLY 202.A N VAL 184.A O no hydrogen 2.828 N/A VAL 203.A N ARG 200.A O no hydrogen 3.277 N/A LEU 204.A N ALA 106.A O no hydrogen 3.114 N/A SER 205.A N VAL 203.A O no hydrogen 2.927 N/A ASN 206.A ND2 TYR 263.A O no hydrogen 2.979 N/A ASP 207.A N SER 205.A OG no hydrogen 3.032 N/A PHE 209.A N ASN 206.A O no hydrogen 3.006 N/A VAL 210.A N ASN 206.A O no hydrogen 3.218 N/A ASN 211.A N ASP 207.A O no hydrogen 2.976 N/A ASN 211.A ND2 PHE 197.A O no hydrogen 2.923 N/A ASN 211.A ND2 ASP 207.A O no hydrogen 3.218 N/A LEU 212.A N PHE 208.A O no hydrogen 2.889 N/A LEU 213.A N PHE 209.A O no hydrogen 2.989 N/A ASP 214.A N ASN 211.A O no hydrogen 3.245 N/A ARG 216.A N ASP 214.A OD2 no hydrogen 3.224 N/A ARG 216.A NE TYR 217.A OH no hydrogen 3.325 N/A TYR 217.A N ASP 214.A O no hydrogen 3.347 N/A GLU 218.A N ARG 232.A O no hydrogen 2.874 N/A LYS 220.A N GLU 230.A O no hydrogen 3.055 N/A THR 222.A N LEU 228.A O no hydrogen 2.924 N/A THR 222.A OG1 LEU 228.A O no hydrogen 3.562 N/A SER 225.A N ASP 223.A OD1 no hydrogen 2.741 N/A LYS 226.A N ASP 223.A O no hydrogen 3.204 N/A LYS 226.A N ASP 223.A OD1 no hydrogen 3.332 N/A PHE 229.A N ALA 243.A O no hydrogen 2.795 N/A GLU 230.A N LYS 220.A O no hydrogen 2.933 N/A GLY 231.A N PHE 241.A O no hydrogen 2.789 N/A ARG 232.A N GLU 218.A O no hydrogen 2.935 N/A ARG 232.A NH2 GLU 230.A OE1 no hydrogen 3.182 N/A ASP 233.A N GLU 238.A O no hydrogen 3.143 N/A ARG 234.A N ARG 216.A O no hydrogen 2.989 N/A ARG 234.A NE MET 215.A O no hydrogen 2.889 N/A ARG 234.A NH2 TYR 217.A O no hydrogen 3.113 N/A GLU 235.A N ASP 233.A OD1 no hydrogen 3.116 N/A THR 236.A N ASP 233.A OD1 no hydrogen 3.522 N/A GLY 237.A N ASP 233.A O no hydrogen 2.759 N/A GLU 238.A N THR 236.A OG1 no hydrogen 3.156 N/A LYS 240.A N GLY 231.A O no hydrogen 2.858 N/A PHE 241.A N GLY 231.A O no hydrogen 3.262 N/A ALA 243.A N PHE 229.A O no hydrogen 3.017 N/A SER 244.A N ASP 247.A OD2 no hydrogen 2.895 N/A SER 244.A OG ASN 147.A OD1 no hydrogen 2.672 N/A SER 244.A OG ASP 247.A OD2 no hydrogen 3.096 N/A ARG 245.A NE GLU 158.A OE2 no hydrogen 3.027 N/A ARG 245.A NH1 LYS 226.A O no hydrogen 2.967 N/A ARG 245.A NH2 GLU 158.A OE1 no hydrogen 3.287 N/A ASP 247.A N SER 244.A O no hydrogen 3.259 N/A LEU 248.A N SER 244.A O no hydrogen 3.095 N/A VAL 249.A N ARG 245.A O no hydrogen 3.074 N/A PHE 250.A N ASP 247.A O no hydrogen 3.425 N/A GLY 251.A N LEU 248.A O no hydrogen 3.039 N/A SER 252.A N LEU 248.A O no hydrogen 2.872 N/A SER 252.A N VAL 249.A O no hydrogen 2.976 N/A ASN 253.A N VAL 249.A O no hydrogen 2.648 N/A ARG 257.A N ASN 253.A O no hydrogen 2.697 N/A ALA 258.A N SER 254.A O no hydrogen 3.014 N/A ALA 260.A N LEU 256.A O no hydrogen 2.648 N/A GLU 261.A N ARG 257.A O no hydrogen 2.492 N/A TYR 263.A OH ASP 275.A OD2 no hydrogen 2.877 N/A ALA 264.A N GLU 261.A O no hydrogen 3.238 N/A HIS 269.A N SER 266.A OG no hydrogen 3.171 N/A HIS 269.A NE2 LEU 204.A O no hydrogen 2.862 N/A PHE 272.A N ALA 268.A O no hydrogen 3.134 N/A VAL 273.A N HIS 269.A O no hydrogen 3.149 N/A LYS 274.A N GLU 270.A O no hydrogen 3.026 N/A ASP 275.A N LYS 271.A O no hydrogen 3.014 N/A PHE 276.A N PHE 272.A O no hydrogen 2.787 N/A VAL 277.A N VAL 273.A O no hydrogen 3.017 N/A ALA 278.A N LYS 274.A O no hydrogen 2.918 N/A ALA 279.A N ASP 275.A O no hydrogen 2.983 N/A TRP 280.A N PHE 276.A O no hydrogen 2.902 N/A VAL 281.A N VAL 277.A O no hydrogen 3.048 N/A LYS 282.A N ALA 278.A O no hydrogen 3.032 N/A LYS 282.A NZ THR 169.A O no hydrogen 2.751 N/A LYS 282.A NZ GLU 174.A OE1 no hydrogen 3.146 N/A LYS 282.A NZ GLU 174.A OE2 no hydrogen 2.985 N/A VAL 283.A N ALA 279.A O no hydrogen 3.072 N/A MET 284.A N TRP 280.A O no hydrogen 2.897 N/A ASN 285.A N VAL 281.A O no hydrogen 3.053 N/A ASN 285.A N LYS 282.A O no hydrogen 3.159 N/A LEU 286.A N VAL 283.A O no hydrogen 3.356 N/A ARG 288.A N ASN 285.A O no hydrogen 2.941 N/A