Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4uui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 VAL 159.A O no hydrogen 2.672 N/A ALA 5.A N HIS 2.A O no hydrogen 2.980 N/A THR 6.A OG1 HIS 3.A O no hydrogen 2.484 N/A LEU 8.A N ALA 5.A O no hydrogen 2.974 N/A ARG 9.A N THR 6.A O no hydrogen 3.138 N/A VAL 11.A N ASP 43.A OD2 no hydrogen 2.770 N/A MET 12.A N GLY 207.A O no hydrogen 2.937 N/A ALA 13.A N GLY 44.A O no hydrogen 3.047 N/A ALA 14.A N GLY 209.A O no hydrogen 2.900 N/A LEU 15.A N TYR 46.A O no hydrogen 2.933 N/A THR 17.A OG1 GLY 52.A O no hydrogen 2.658 N/A ASP 20.A N ALA 24.A O no hydrogen 2.930 N/A GLN 22.A N ASP 20.A OD1 no hydrogen 2.906 N/A GLN 23.A N ASP 20.A O no hydrogen 2.976 N/A ALA 24.A N ASP 20.A OD1 no hydrogen 2.954 N/A ASP 26.A N PRO 18.A O no hydrogen 3.036 N/A LYS 27.A NZ GLN 64.A OE1 no hydrogen 2.857 N/A SER 29.A N ASP 26.A OD1 no hydrogen 2.961 N/A SER 29.A OG ASP 26.A OD2 no hydrogen 2.643 N/A LEU 30.A N ASP 26.A O no hydrogen 2.969 N/A ARG 31.A N LYS 27.A O no hydrogen 3.021 N/A ARG 32.A N ALA 28.A O no hydrogen 3.040 N/A ARG 32.A NE VAL 266.A O no hydrogen 2.995 N/A ARG 32.A NH2 SER 29.A OG no hydrogen 2.984 N/A LEU 33.A N SER 29.A O no hydrogen 2.909 N/A VAL 34.A N LEU 30.A O no hydrogen 3.019 N/A GLN 35.A N ARG 31.A O no hydrogen 3.006 N/A GLN 35.A NE2 GLU 72.A O no hydrogen 3.132 N/A GLN 35.A NE2 GLU 72.A OE1 no hydrogen 2.826 N/A PHE 36.A N ARG 32.A O no hydrogen 2.726 N/A ASN 37.A N LEU 33.A O no hydrogen 2.976 N/A ASN 37.A ND2 LEU 33.A O no hydrogen 2.886 N/A ASN 37.A ND2 ASN 213.A OD1 no hydrogen 3.135 N/A ILE 38.A N VAL 34.A O no hydrogen 2.995 N/A GLN 39.A N GLN 35.A O no hydrogen 2.992 N/A GLN 40.A N PHE 36.A O no hydrogen 3.058 N/A GLN 40.A NE2 ASN 213.A O no hydrogen 2.755 N/A GLY 41.A N ILE 38.A O no hydrogen 3.165 N/A ILE 42.A N ASN 37.A O no hydrogen 3.441 N/A ASP 43.A N VAL 11.A O no hydrogen 3.083 N/A LEU 45.A N LYS 78.A O no hydrogen 2.908 N/A TYR 46.A N ALA 13.A O no hydrogen 2.830 N/A TYR 46.A OH HIS 82.A ND1 no hydrogen 3.284 N/A TYR 46.A OH SER 107.A OG no hydrogen 2.670 N/A VAL 47.A N ILE 80.A O no hydrogen 2.814 N/A GLU 53.A N SER 50.A O no hydrogen 3.115 N/A ALA 54.A N GLY 49.A O no hydrogen 3.201 N/A VAL 56.A N GLU 53.A O no hydrogen 3.274 N/A GLN 57.A N ALA 54.A O no hydrogen 3.155 N/A GLN 57.A NE2 GLY 52.A O no hydrogen 2.918 N/A GLN 57.A NE2 GLU 53.A O no hydrogen 2.933 N/A SER 58.A N GLU 61.A OE1 no hydrogen 2.849 N/A GLU 61.A N SER 58.A OG no hydrogen 3.173 N/A ARG 62.A N SER 58.A O no hydrogen 3.011 N/A ARG 62.A NH1 GLY 84.A O no hydrogen 3.035 N/A ARG 62.A NH2 HIS 82.A O no hydrogen 2.952 N/A ARG 62.A NH2 GLY 84.A O no hydrogen 3.038 N/A GLU 63.A N LEU 59.A O no hydrogen 2.901 N/A GLN 64.A N SER 60.A O no hydrogen 2.934 N/A GLN 64.A NE2 SER 60.A O no hydrogen 3.297 N/A GLN 64.A NE2 SER 60.A OG no hydrogen 3.003 N/A VAL 65.A N GLU 61.A O no hydrogen 3.048 N/A LEU 66.A N ARG 62.A O no hydrogen 2.956 N/A GLU 67.A N GLU 63.A O no hydrogen 2.859 N/A ILE 68.A N GLN 64.A O no hydrogen 3.152 N/A VAL 69.A N VAL 65.A O no hydrogen 3.003 N/A ALA 70.A N LEU 66.A O no hydrogen 3.089 N/A GLU 71.A N GLU 67.A O no hydrogen 2.968 N/A GLU 72.A N ILE 68.A O no hydrogen 2.945 N/A ALA 73.A N VAL 69.A O no hydrogen 2.842 N/A LYS 74.A N ALA 70.A O no hydrogen 2.782 N/A LYS 76.A N ALA 73.A O no hydrogen 2.917 N/A LYS 76.A NZ GLU 72.A O no hydrogen 3.144 N/A LYS 78.A N ASP 43.A O no hydrogen 3.131 N/A LEU 79.A N ASP 104.A OD2 no hydrogen 2.778 N/A ILE 80.A N LEU 45.A O no hydrogen 2.941 N/A ALA 81.A N ALA 105.A O no hydrogen 2.932 N/A HIS 82.A N VAL 47.A O no hydrogen 2.768 N/A VAL 83.A N SER 107.A O no hydrogen 2.752 N/A CYS 85.A N SER 91.A OG no hydrogen 2.897 N/A CYS 85.A SG VAL 83.A O no hydrogen 3.823 N/A THR 88.A OG1 HIS 124.A ND1 no hydrogen 2.758 N/A GLU 90.A N SER 87.A OG no hydrogen 3.015 N/A SER 91.A N SER 87.A O no hydrogen 3.139 N/A SER 91.A OG SER 87.A O no hydrogen 2.792 N/A GLN 92.A N THR 88.A O no hydrogen 2.852 N/A GLN 92.A NE2 ALA 127.A O no hydrogen 3.166 N/A GLN 93.A N ALA 89.A O no hydrogen 3.106 N/A GLN 93.A NE2 GLU 63.A OE2 no hydrogen 3.015 N/A LEU 94.A N GLU 90.A O no hydrogen 3.214 N/A ALA 95.A N SER 91.A O no hydrogen 2.918 N/A ALA 96.A N GLN 92.A O no hydrogen 2.862 N/A SER 97.A N GLN 93.A O no hydrogen 3.070 N/A SER 97.A OG GLU 63.A OE2 no hydrogen 2.804 N/A SER 97.A OG GLN 93.A O no hydrogen 3.169 N/A ALA 98.A N LEU 94.A O no hydrogen 2.875 N/A LYS 99.A N ALA 95.A O no hydrogen 3.125 N/A LYS 99.A NZ ASP 133.A O no hydrogen 3.130 N/A ARG 100.A N ALA 96.A O no hydrogen 3.073 N/A ARG 100.A NH2 SER 97.A OG no hydrogen 2.958 N/A TYR 101.A N SER 97.A O no hydrogen 2.923 N/A GLY 102.A N LYS 99.A O no hydrogen 3.175 N/A PHE 103.A N ALA 98.A O no hydrogen 3.036 N/A ASP 104.A N LEU 79.A O no hydrogen 2.828 N/A ALA 105.A N LEU 79.A O no hydrogen 3.284 N/A VAL 106.A N PRO 136.A O no hydrogen 2.907 N/A SER 107.A N ALA 81.A O no hydrogen 2.822 N/A SER 107.A OG TYR 46.A OH no hydrogen 2.670 N/A SER 107.A OG VAL 138.A O no hydrogen 2.651 N/A THR 110.A N PHE 140.A O no hydrogen 3.244 N/A TYR 114.A N PHE 112.A O no hydrogen 2.895 N/A SER 117.A N GLU 120.A OE1 no hydrogen 2.952 N/A GLU 120.A N SER 117.A OG no hydrogen 3.026 N/A HIS 121.A N SER 117.A O no hydrogen 3.071 N/A CYS 122.A N PHE 118.A O no hydrogen 2.980 N/A CYS 122.A SG PHE 118.A O no hydrogen 3.485 N/A ASP 123.A N GLU 119.A O no hydrogen 3.014 N/A HIS 124.A N GLU 120.A O no hydrogen 3.046 N/A HIS 124.A ND1 THR 88.A OG1 no hydrogen 2.758 N/A TYR 125.A N HIS 121.A O no hydrogen 3.135 N/A TYR 125.A OH ALA 108.A O no hydrogen 2.777 N/A ARG 126.A N CYS 122.A O no hydrogen 2.935 N/A ARG 126.A NH1 ASP 123.A OD1 no hydrogen 2.461 N/A ALA 127.A N ASP 123.A O no hydrogen 2.866 N/A ILE 128.A N HIS 124.A O no hydrogen 3.087 N/A ILE 129.A N TYR 125.A O no hydrogen 2.826 N/A ASP 130.A N ARG 126.A O no hydrogen 2.991 N/A SER 131.A N ALA 127.A O no hydrogen 3.179 N/A ALA 132.A N ILE 128.A O no hydrogen 2.913 N/A ALA 132.A N ILE 129.A O no hydrogen 3.101 N/A ASP 133.A N ASP 130.A O no hydrogen 3.200 N/A LEU 135.A N ALA 132.A O no hydrogen 3.072 N/A MET 137.A N GLY 163.A O no hydrogen 2.960 N/A VAL 138.A N VAL 106.A O no hydrogen 2.732 N/A VAL 139.A N ALA 166.A O no hydrogen 2.945 N/A PHE 140.A N ALA 108.A O no hydrogen 3.261 N/A LEU 145.A N ILE 142.A O no hydrogen 3.148 N/A SER 146.A N ILE 142.A O no hydrogen 2.958 N/A SER 146.A OG ILE 142.A O no hydrogen 3.147 N/A GLY 147.A N PRO 143.A O no hydrogen 3.095 N/A VAL 148.A N SER 146.A OG no hydrogen 2.952 N/A THR 151.A N GLN 154.A OE1 no hydrogen 2.960 N/A GLN 154.A N THR 151.A OG1 no hydrogen 3.029 N/A ILE 155.A N THR 151.A O no hydrogen 2.973 N/A ASN 156.A N LEU 152.A O no hydrogen 2.909 N/A THR 157.A N ASP 153.A O no hydrogen 3.089 N/A THR 157.A OG1 ASP 153.A O no hydrogen 3.370 N/A LEU 158.A N GLN 154.A O no hydrogen 3.013 N/A VAL 159.A N ILE 155.A O no hydrogen 2.924 N/A THR 160.A N THR 157.A O no hydrogen 3.302 N/A THR 160.A OG1 ASN 156.A O no hydrogen 2.805 N/A THR 160.A OG1 THR 157.A O no hydrogen 3.264 N/A LEU 161.A N LEU 158.A O no hydrogen 3.375 N/A VAL 164.A N LEU 161.A O no hydrogen 3.081 N/A GLY 165.A N MET 137.A O no hydrogen 2.932 N/A LEU 167.A N VAL 187.A O no hydrogen 2.926 N/A GLN 168.A NE2 ASN 141.A OD1 no hydrogen 3.037 N/A THR 169.A N ASN 141.A O no hydrogen 2.805 N/A ASP 172.A N SER 170.A OG no hydrogen 3.044 N/A TYR 174.A N ASP 172.A OD1 no hydrogen 3.083 N/A GLN 175.A N ASP 172.A OD1 no hydrogen 3.108 N/A MET 176.A N ASP 172.A O no hydrogen 3.107 N/A GLU 177.A N LEU 173.A O no hydrogen 3.213 N/A GLN 178.A N TYR 174.A O no hydrogen 2.872 N/A ILE 179.A N GLN 175.A O no hydrogen 2.871 N/A ARG 180.A N MET 176.A O no hydrogen 3.134 N/A ARG 180.A NE GLY 203.A O no hydrogen 2.861 N/A ARG 180.A NH1 HIS 183.A O no hydrogen 2.952 N/A ARG 180.A NH1 LEU 186.A O no hydrogen 2.809 N/A ARG 180.A NH2 LEU 186.A O no hydrogen 3.047 N/A ARG 180.A NH2 GLY 203.A O no hydrogen 3.016 N/A ARG 181.A N GLU 177.A O no hydrogen 2.891 N/A ARG 181.A NE GLU 177.A OE2 no hydrogen 2.793 N/A ARG 181.A NH2 GLU 177.A OE1 no hydrogen 2.924 N/A GLU 182.A N GLN 178.A O no hydrogen 2.965 N/A HIS 183.A N ILE 179.A O no hydrogen 2.888 N/A HIS 183.A NE2 ASN 156.A OD1 no hydrogen 2.777 N/A LEU 186.A N HIS 183.A O no hydrogen 3.204 N/A LEU 188.A N ASP 205.A OD1 no hydrogen 2.864 N/A TYR 189.A N LEU 167.A O no hydrogen 2.832 N/A TYR 189.A OH LEU 8.A O no hydrogen 2.583 N/A ASN 190.A N GLY 206.A O no hydrogen 2.922 N/A ASN 190.A ND2 TYR 192.A O no hydrogen 2.816 N/A GLY 191.A N GLN 168.A O no hydrogen 3.016 N/A ILE 195.A N TYR 192.A O no hydrogen 3.158 N/A PHE 196.A N ASP 193.A O no hydrogen 3.266 N/A ALA 197.A N GLN 238.A OE1 no hydrogen 2.912 N/A GLY 199.A N ILE 195.A O no hydrogen 2.784 N/A LEU 200.A N PHE 196.A O no hydrogen 2.962 N/A LEU 201.A N ALA 197.A O no hydrogen 3.128 N/A ALA 202.A N SER 198.A O no hydrogen 2.931 N/A GLY 203.A N GLY 199.A O no hydrogen 3.106 N/A GLY 203.A N LEU 200.A O no hydrogen 3.036 N/A ALA 204.A N GLY 199.A O no hydrogen 2.979 N/A ASP 205.A N LEU 188.A O no hydrogen 2.975 N/A GLY 207.A N GLY 10.A O no hydrogen 3.064 N/A ILE 208.A N ASN 190.A O no hydrogen 3.068 N/A GLY 209.A N MET 12.A O no hydrogen 3.329 N/A THR 211.A N ASP 193.A OD2 no hydrogen 2.957 N/A THR 211.A OG1 ASP 193.A OD2 no hydrogen 2.568 N/A THR 211.A OG1 TYR 219.A OH no hydrogen 2.740 N/A ASN 213.A N SER 210.A O no hydrogen 3.224 N/A ASN 213.A ND2 ALA 14.A O no hydrogen 2.888 N/A ASN 213.A ND2 SER 210.A O no hydrogen 2.802 N/A ILE 214.A N THR 211.A O no hydrogen 3.125 N/A MET 215.A N THR 211.A O no hydrogen 3.170 N/A GLY 216.A N GLN 40.A OE1 no hydrogen 3.229 N/A TRP 217.A NE1 GLU 297.A OE2 no hydrogen 2.803 N/A ARG 218.A N MET 215.A O no hydrogen 2.951 N/A ARG 218.A NE GLU 297.A OE2 no hydrogen 3.099 N/A ARG 218.A NH2 GLU 297.A OE1 no hydrogen 2.701 N/A TYR 219.A OH THR 211.A OG1 no hydrogen 2.740 N/A GLN 220.A N GLY 216.A O no hydrogen 3.158 N/A GLN 220.A NE2 GLY 41.A O no hydrogen 3.027 N/A GLY 221.A N TRP 217.A O no hydrogen 2.920 N/A ILE 222.A N ARG 218.A O no hydrogen 2.945 N/A VAL 223.A N TYR 219.A O no hydrogen 3.132 N/A LYS 224.A N GLN 220.A O no hydrogen 2.929 N/A LYS 224.A NZ GLU 228.A OE2 no hydrogen 3.227 N/A ALA 225.A N GLY 221.A O no hydrogen 2.935 N/A LEU 226.A N ILE 222.A O no hydrogen 2.989 N/A LYS 227.A N VAL 223.A O no hydrogen 3.001 N/A GLU 228.A N LYS 224.A O no hydrogen 2.952 N/A GLY 229.A N LEU 226.A O no hydrogen 3.108 N/A ASP 230.A N ALA 225.A O no hydrogen 2.717 N/A GLN 232.A N GLN 232.A OE1 no hydrogen 2.925 N/A THR 233.A OG1.B ASP 230.A O no hydrogen 2.880 N/A ALA 234.A N ASP 230.A O no hydrogen 3.363 N/A GLN 235.A N ILE 231.A O no hydrogen 2.897 N/A LYS 236.A N GLN 232.A O no hydrogen 2.919 N/A LYS 236.A NZ GLU 240.A OE2 no hydrogen 3.109 N/A LEU 237.A N THR 233.A O no hydrogen 2.805 N/A GLN 238.A N ALA 234.A O no hydrogen 2.936 N/A GLN 238.A NE2 ASP 193.A O no hydrogen 3.058 N/A GLN 238.A NE2 GLN 238.A O no hydrogen 3.515 N/A THR 239.A N GLN 235.A O no hydrogen 2.874 N/A THR 239.A OG1 GLN 235.A O no hydrogen 2.858 N/A GLU 240.A N LYS 236.A O no hydrogen 3.021 N/A CYS 241.A N LEU 237.A O no hydrogen 2.941 N/A CYS 241.A SG LEU 237.A O no hydrogen 3.489 N/A ASN 242.A N GLN 238.A O no hydrogen 2.838 N/A ASN 242.A ND2 ASN 194.A O no hydrogen 3.437 N/A LYS 243.A N THR 239.A O no hydrogen 2.969 N/A LYS 243.A NZ GLU 240.A OE2 no hydrogen 3.215 N/A VAL 244.A N GLU 240.A O no hydrogen 3.227 N/A ILE 245.A N CYS 241.A O no hydrogen 2.879 N/A ASP 246.A N ASN 242.A O no hydrogen 2.840 N/A LEU 248.A N VAL 244.A O no hydrogen 3.005 N/A ILE 249.A N ILE 245.A O no hydrogen 2.894 N/A LYS 250.A N ASP 246.A O no hydrogen 3.228 N/A LYS 250.A NZ GLU 286.A OE2 no hydrogen 2.879 N/A THR 251.A N LEU 247.A O no hydrogen 2.989 N/A THR 251.A OG1 LEU 247.A O no hydrogen 3.511 N/A THR 251.A OG1 LEU 248.A O no hydrogen 3.150 N/A THR 251.A OG1 GLY 252.A O no hydrogen 3.178 N/A ARG 255.A NE THR 251.A O no hydrogen 2.870 N/A ARG 255.A NH1 GLY 277.A O no hydrogen 2.966 N/A ARG 255.A NH2 THR 251.A O no hydrogen 3.430 N/A GLY 256.A N GLY 252.A O no hydrogen 2.870 N/A LEU 257.A N VAL 253.A O no hydrogen 2.919 N/A LYS 258.A N PHE 254.A O no hydrogen 2.904 N/A LYS 258.A NZ THR 17.A O no hydrogen 2.792 N/A LYS 258.A NZ GLU 53.A OE2 no hydrogen 2.747 N/A LYS 258.A NZ LEU 271.A O no hydrogen 2.852 N/A THR 259.A N ARG 255.A O no hydrogen 2.925 N/A THR 259.A OG1 ARG 255.A O no hydrogen 2.688 N/A VAL 260.A N GLY 256.A O no hydrogen 2.948 N/A LEU 261.A N LEU 257.A O no hydrogen 2.970 N/A HIS 262.A N LYS 258.A O no hydrogen 2.835 N/A TYR 263.A N THR 259.A O no hydrogen 3.038 N/A MET 264.A N VAL 260.A O no hydrogen 2.972 N/A ASP 265.A N HIS 262.A O no hydrogen 3.034 N/A VAL 266.A N LEU 261.A O no hydrogen 2.877 N/A VAL 267.A N LEU 261.A O no hydrogen 3.290 N/A SER 268.A N SER 29.A OG no hydrogen 2.923 N/A SER 268.A OG SER 29.A OG no hydrogen 3.179 N/A CYS 272.A SG GLU 53.A OE2 no hydrogen 3.402 N/A ARG 273.A N GLU 53.A OE1 no hydrogen 2.812 N/A ARG 273.A NE GLN 23.A O no hydrogen 2.840 N/A ARG 273.A NH1 VAL 56.A O no hydrogen 2.982 N/A ARG 273.A NH1 GLU 61.A OE1 no hydrogen 2.818 N/A ARG 273.A NH1 GLU 61.A OE2 no hydrogen 3.497 N/A ARG 273.A NH2 GLN 23.A O no hydrogen 2.845 N/A ARG 273.A NH2 GLU 61.A OE2 no hydrogen 2.915 N/A LYS 274.A N GLN 23.A OE1.A no hydrogen 2.763 N/A PHE 276.A N ARG 273.A O no hydrogen 3.008 N/A LYS 282.A N ASP 280.A OD1 no hydrogen 3.106 N/A TYR 283.A N ASP 280.A O no hydrogen 2.962 N/A LEU 284.A N GLU 281.A O no hydrogen 3.114 N/A LEU 287.A N TYR 283.A O no hydrogen 3.151 N/A LYS 288.A N LEU 284.A O no hydrogen 2.823 N/A ALA 289.A N PRO 285.A O no hydrogen 2.918 N/A LEU 290.A N GLU 286.A O no hydrogen 2.930 N/A ALA 291.A N LEU 287.A O no hydrogen 3.011 N/A GLN 292.A N LYS 288.A O no hydrogen 2.928 N/A GLN 293.A N ALA 289.A O no hydrogen 2.779 N/A LEU 294.A N LEU 290.A O no hydrogen 2.943 N/A MET 295.A N ALA 291.A O no hydrogen 2.929 N/A GLN 296.A N GLN 292.A O no hydrogen 3.031 N/A GLU 297.A N GLN 293.A O no hydrogen 2.883 N/A ARG 298.A N LEU 294.A O no hydrogen 2.913 N/A ARG 298.A N MET 295.A O no hydrogen 3.252 N/A GLY 299.A N MET 295.A O no hydrogen 2.805 N/A