Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wmd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 299.A OE1 no hydrogen 2.955 N/A LYS 5.A NZ GLU 290.A OE2 no hydrogen 2.703 N/A HIS 8.A N SER 116.A OG no hydrogen 2.994 N/A SER 10.A OG GLU 14.A OE2 no hydrogen 2.619 N/A VAL 13.A N SER 10.A O no hydrogen 3.047 N/A GLU 14.A N SER 10.A O no hydrogen 3.001 N/A ALA 15.A N GLY 11.A O no hydrogen 3.303 N/A CYS 16.A N VAL 13.A O no hydrogen 2.970 N/A CYS 16.A SG ASP 12.A O no hydrogen 3.862 N/A CYS 16.A SG TRP 31.A O no hydrogen 3.843 N/A CYS 16.A SG SER 100.A O no hydrogen 4.017 N/A MET 17.A N GLU 14.A O no hydrogen 3.259 N/A VAL 18.A N GLY 29.A O no hydrogen 3.004 N/A GLN 19.A N GLN 69.A O no hydrogen 2.816 N/A GLN 19.A NE2 THR 26.A OG1 no hydrogen 2.841 N/A VAL 20.A N LEU 27.A O no hydrogen 2.948 N/A THR 21.A N SER 67.A O no hydrogen 2.808 N/A THR 21.A OG1 THR 26.A OG1 no hydrogen 3.254 N/A CYS 22.A N MET 25.A O no hydrogen 2.935 N/A CYS 22.A SG SER 65.A O no hydrogen 3.812 N/A MET 25.A N CYS 22.A O no hydrogen 3.326 N/A THR 26.A OG1 VAL 20.A O no hydrogen 3.065 N/A THR 26.A OG1 THR 21.A OG1 no hydrogen 3.254 N/A LEU 27.A N VAL 20.A O no hydrogen 3.009 N/A ASN 28.A N ALA 148.A O no hydrogen 3.046 N/A ASN 28.A ND2 CYS 120.A O no hydrogen 2.984 N/A ASN 28.A ND2 GLY 146.A O no hydrogen 3.101 N/A ASN 28.A ND2 ALA 148.A O no hydrogen 3.098 N/A GLY 29.A N VAL 18.A O no hydrogen 2.955 N/A LEU 30.A N TRP 37.A O no hydrogen 2.871 N/A TRP 31.A N CYS 16.A O no hydrogen 2.756 N/A LEU 32.A N THR 35.A O no hydrogen 2.998 N/A ASP 33.A N THR 101.A OG1 no hydrogen 2.795 N/A ASN 34.A ND2 VAL 94.A O no hydrogen 2.652 N/A THR 35.A N LEU 32.A O no hydrogen 2.884 N/A VAL 36.A N LEU 92.A O no hydrogen 2.888 N/A TRP 37.A N LEU 30.A O no hydrogen 2.909 N/A CYS 38.A N LEU 90.A O no hydrogen 3.268 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.741 N/A ARG 40.A N THR 88.A O no hydrogen 3.050 N/A ARG 40.A NE ASP 190.A OD2 no hydrogen 2.630 N/A ARG 40.A NH2 ASP 190.A OD1 no hydrogen 2.824 N/A ARG 40.A NH2 ASP 190.A OD2 no hydrogen 3.481 N/A VAL 42.A N PRO 39.A O no hydrogen 3.386 N/A MET 43.A N ARG 40.A O no hydrogen 3.018 N/A CYS 44.A N HIS 41.A O no hydrogen 3.107 N/A CYS 44.A SG PRO 45.A O no hydrogen 3.591 N/A GLN 48.A N PRO 45.A O no hydrogen 2.878 N/A LEU 49.A N ALA 46.A O no hydrogen 3.380 N/A TYR 54.A OH ASP 190.A O no hydrogen 2.700 N/A ALA 56.A N ASN 53.A OD1 no hydrogen 3.087 N/A LEU 57.A N ASN 53.A O no hydrogen 2.940 N/A LEU 58.A N TYR 54.A O no hydrogen 2.882 N/A ILE 59.A N ASP 55.A O no hydrogen 3.379 N/A SER 60.A N ALA 56.A O no hydrogen 3.226 N/A SER 60.A OG LEU 57.A O no hydrogen 2.580 N/A MET 61.A N LEU 58.A O no hydrogen 3.167 N/A THR 62.A N SER 65.A OG no hydrogen 2.671 N/A HIS 64.A N THR 62.A OG1 no hydrogen 2.786 N/A SER 65.A N THR 62.A O no hydrogen 3.201 N/A SER 65.A OG THR 62.A O no hydrogen 2.952 N/A PHE 66.A N ASN 63.A O no hydrogen 3.245 N/A SER 67.A N THR 21.A O no hydrogen 2.833 N/A SER 67.A OG GLN 69.A OE1 no hydrogen 2.605 N/A GLN 69.A N GLN 19.A O no hydrogen 3.042 N/A GLN 69.A NE2 GLN 19.A OE1 no hydrogen 3.177 N/A GLN 69.A NE2 THR 21.A OG1 no hydrogen 3.219 N/A LYS 70.A NZ ALA 15.A O no hydrogen 3.437 N/A LYS 70.A NZ MET 17.A O no hydrogen 3.452 N/A LYS 70.A NZ ILE 72.A O no hydrogen 3.240 N/A HIS 71.A NE2 GLN 19.A OE1 no hydrogen 2.754 N/A ARG 79.A N ASP 95.A OD1 no hydrogen 2.937 N/A VAL 81.A N THR 93.A O no hydrogen 2.873 N/A HIS 83.A ND1 ASN 63.A OD1 no hydrogen 2.662 N/A ALA 84.A N LYS 91.A O no hydrogen 2.927 N/A GLN 86.A N LEU 89.A O no hydrogen 2.803 N/A GLN 86.A NE2 ASP 181.A O no hydrogen 2.937 N/A THR 88.A N GLY 182.A O no hydrogen 2.783 N/A THR 88.A OG1 SER 178.A OG no hydrogen 2.741 N/A THR 88.A OG1 GLY 182.A O no hydrogen 2.911 N/A LEU 89.A N GLN 86.A O no hydrogen 2.930 N/A LEU 90.A N CYS 38.A O no hydrogen 2.802 N/A LYS 91.A N ALA 84.A O no hydrogen 2.769 N/A LEU 92.A N VAL 36.A O no hydrogen 2.945 N/A THR 93.A N GLY 82.A O no hydrogen 2.853 N/A VAL 94.A N ASN 34.A O no hydrogen 2.859 N/A ASP 95.A N ARG 79.A O no hydrogen 3.153 N/A ASN 98.A N ASP 33.A O no hydrogen 2.768 N/A ASN 98.A ND2 ALA 15.A O no hydrogen 3.464 N/A ASN 98.A ND2 TRP 31.A O no hydrogen 2.632 N/A SER 100.A N ASN 98.A OD1 no hydrogen 2.686 N/A THR 101.A N ASN 98.A O no hydrogen 3.185 N/A THR 101.A OG1 ASN 98.A O no hydrogen 2.968 N/A TYR 104.A OH ASP 33.A OD2 no hydrogen 2.946 N/A THR 105.A N ILE 160.A O no hydrogen 2.945 N/A THR 105.A OG1 ASN 161.A OD1 no hydrogen 2.417 N/A THR 107.A N ASN 161.A OD1 no hydrogen 2.779 N/A THR 107.A OG1 ASN 161.A OD1 no hydrogen 3.314 N/A VAL 109.A N TYR 185.A OH no hydrogen 3.217 N/A GLY 112.A N MET 133.A O no hydrogen 2.771 N/A ALA 113.A N LYS 110.A O no hydrogen 3.061 N/A PHE 115.A N VAL 131.A O no hydrogen 2.968 N/A SER 116.A N TYR 153.A O no hydrogen 2.803 N/A VAL 117.A N PHE 129.A O no hydrogen 2.726 N/A LEU 118.A N VAL 151.A O no hydrogen 2.919 N/A ALA 119.A N GLY 127.A O no hydrogen 2.699 N/A CYS 120.A N SER 150.A OG no hydrogen 2.865 N/A CYS 120.A SG LEU 118.A O no hydrogen 3.601 N/A TYR 121.A N ARG 124.A O no hydrogen 2.953 N/A GLY 123.A N ASN 28.A OD1 no hydrogen 2.735 N/A ARG 124.A N TYR 121.A O no hydrogen 2.909 N/A THR 126.A N ALA 119.A O no hydrogen 2.760 N/A THR 126.A OG1 ALA 119.A O no hydrogen 3.247 N/A GLY 127.A N ALA 119.A O no hydrogen 3.296 N/A THR 128.A OG1 VAL 117.A O no hydrogen 2.656 N/A PHE 129.A N VAL 117.A O no hydrogen 3.111 N/A THR 130.A OG1 PHE 115.A O no hydrogen 3.100 N/A VAL 131.A N PHE 115.A O no hydrogen 3.032 N/A MET 133.A N ALA 113.A O no hydrogen 3.017 N/A ARG 134.A N THR 138.A O no hydrogen 2.978 N/A ARG 134.A NE ASP 200.A OD1 no hydrogen 3.460 N/A ARG 134.A NE ASP 200.A OD2 no hydrogen 3.231 N/A ARG 134.A NH1 ASP 289.A OD1 no hydrogen 3.179 N/A ARG 134.A NH2 LYS 201.A O no hydrogen 3.069 N/A ARG 134.A NH2 ASP 289.A OD1 no hydrogen 3.367 N/A ARG 134.A NH2 ASP 289.A OD2 no hydrogen 2.608 N/A ASN 136.A ND2 LEU 198.A O no hydrogen 3.082 N/A TYR 137.A N ARG 134.A O no hydrogen 2.948 N/A THR 138.A N ASN 136.A OD1 no hydrogen 3.218 N/A THR 138.A OG1 ASN 136.A OD1 no hydrogen 2.825 N/A ILE 139.A N HIS 175.A O no hydrogen 2.873 N/A LYS 140.A NZ THR 174.A OG1 no hydrogen 3.338 N/A GLY 141.A N HIS 175.A ND1 no hydrogen 3.047 N/A LEU 144.A N TYR 121.A OH no hydrogen 2.804 N/A SER 147.A N LEU 144.A O no hydrogen 3.135 N/A SER 147.A OG LEU 144.A O no hydrogen 2.798 N/A GLY 149.A N HIS 166.A O no hydrogen 2.902 N/A SER 150.A N SER 147.A O no hydrogen 2.914 N/A SER 150.A OG SER 147.A O no hydrogen 2.729 N/A GLY 152.A N TYR 164.A O no hydrogen 2.569 N/A TYR 153.A N SER 116.A O no hydrogen 2.777 N/A THR 154.A N ASN 161.A O no hydrogen 2.857 N/A LYS 155.A NZ PRO 9.A O no hydrogen 3.038 N/A LYS 155.A NZ ASP 12.A OD2 no hydrogen 3.150 N/A GLU 156.A N VAL 159.A O no hydrogen 3.170 N/A VAL 159.A N GLU 156.A O no hydrogen 3.177 N/A ILE 160.A N ALA 103.A O no hydrogen 2.993 N/A ASN 161.A N THR 154.A O no hydrogen 2.784 N/A ASN 161.A ND2 THR 107.A O no hydrogen 2.948 N/A PHE 162.A N THR 105.A O no hydrogen 3.060 N/A CYS 163.A N GLY 152.A O no hydrogen 3.062 N/A TYR 164.A N GLY 152.A O no hydrogen 3.191 N/A TYR 164.A OH HIS 166.A ND1 no hydrogen 3.047 N/A MET 165.A N SER 178.A O no hydrogen 2.836 N/A HIS 166.A N SER 150.A O no hydrogen 2.710 N/A HIS 166.A ND1 TYR 164.A OH no hydrogen 3.047 N/A GLN 167.A N THR 176.A O no hydrogen 3.145 N/A GLN 167.A NE2 THR 88.A O no hydrogen 3.101 N/A GLN 167.A NE2 SER 178.A OG no hydrogen 2.816 N/A MET 168.A N THR 176.A O no hydrogen 3.089 N/A LEU 170.A N THR 174.A O no hydrogen 2.856 N/A THR 174.A N ALA 171.A O no hydrogen 2.916 N/A THR 174.A OG1 ASN 172.A O no hydrogen 3.112 N/A HIS 175.A N ILE 139.A O no hydrogen 2.893 N/A HIS 175.A NE2 GLU 169.A OE1 no hydrogen 2.993 N/A THR 176.A N MET 168.A O no hydrogen 3.110 N/A THR 176.A OG1 GLY 177.A O no hydrogen 3.403 N/A THR 176.A OG1 TYR 185.A O no hydrogen 3.055 N/A SER 178.A N MET 165.A O no hydrogen 2.856 N/A SER 178.A OG THR 88.A OG1 no hydrogen 2.741 N/A ALA 179.A N THR 183.A O no hydrogen 2.870 N/A GLY 182.A N ALA 179.A O no hydrogen 2.891 N/A THR 183.A N ASP 181.A OD1 no hydrogen 2.765 N/A THR 183.A OG1 ASP 181.A OD1 no hydrogen 2.487 N/A THR 183.A OG1 ASP 181.A OD2 no hydrogen 3.282 N/A TYR 185.A N GLY 177.A O no hydrogen 2.958 N/A TYR 185.A OH CYS 163.A O no hydrogen 2.608 N/A ALA 187.A N MET 184.A O no hydrogen 2.869 N/A MET 189.A N GLN 195.A OE1 no hydrogen 2.878 N/A LYS 191.A NZ ASP 51.A OD1 no hydrogen 3.471 N/A GLN 192.A N LEU 49.A O no hydrogen 2.830 N/A GLN 195.A NE2 MET 189.A O no hydrogen 2.832 N/A GLN 195.A NE2 LYS 191.A O no hydrogen 3.678 N/A GLN 197.A NE2 GLN 195.A O no hydrogen 3.607 N/A THR 199.A OG1 ASP 200.A O no hydrogen 3.546 N/A LYS 201.A N ASP 200.A OD1 no hydrogen 2.984 N/A TYR 202.A N GLN 241.A O no hydrogen 2.948 N/A CYS 203.A N ASP 289.A OD2 no hydrogen 2.893 N/A CYS 203.A SG ASP 289.A OD2 no hydrogen 3.813 N/A SER 204.A N THR 243.A OG1 no hydrogen 2.893 N/A SER 204.A OG THR 243.A O no hydrogen 2.524 N/A ASN 206.A ND2 GLY 112.A O no hydrogen 2.777 N/A ASN 206.A ND2 ASP 289.A O no hydrogen 3.043 N/A VAL 207.A N CYS 203.A O no hydrogen 3.026 N/A VAL 208.A N SER 204.A O no hydrogen 3.041 N/A ALA 209.A N VAL 205.A O no hydrogen 3.034 N/A TRP 210.A N ASN 206.A O no hydrogen 3.044 N/A LEU 211.A N VAL 207.A O no hydrogen 2.910 N/A TYR 212.A N VAL 208.A O no hydrogen 2.988 N/A TYR 212.A OH VAL 260.A O no hydrogen 2.677 N/A ALA 213.A N ALA 209.A O no hydrogen 3.024 N/A ALA 214.A N TRP 210.A O no hydrogen 2.950 N/A ILE 215.A N LEU 211.A O no hydrogen 3.052 N/A LEU 216.A N TYR 212.A O no hydrogen 2.780 N/A ASN 217.A N ALA 214.A O no hydrogen 3.200 N/A GLY 218.A N ILE 215.A O no hydrogen 3.027 N/A CYS 219.A N ALA 214.A O no hydrogen 2.633 N/A CYS 219.A SG GLN 280.A O no hydrogen 3.856 N/A TRP 221.A NE1 GLN 280.A O no hydrogen 2.792 N/A VAL 223.A N ALA 220.A O no hydrogen 3.064 N/A ASN 226.A N ASN 226.A OD1 no hydrogen 2.582 N/A THR 228.A N GLU 263.A O no hydrogen 3.105 N/A THR 228.A OG1 GLN 270.A OE1 no hydrogen 2.580 N/A SER 232.A N SER 229.A OG no hydrogen 3.094 N/A PHE 233.A N SER 229.A O no hydrogen 2.676 N/A ASN 234.A N VAL 230.A O no hydrogen 2.935 N/A ASN 234.A ND2 PHE 245.A O no hydrogen 3.262 N/A GLU 235.A N VAL 231.A O no hydrogen 3.350 N/A TRP 236.A N SER 232.A O no hydrogen 3.269 N/A ALA 237.A N PHE 233.A O no hydrogen 2.756 N/A LEU 238.A N ASN 234.A O no hydrogen 3.252 N/A ALA 239.A N TRP 236.A O no hydrogen 3.001 N/A ASN 240.A N ALA 237.A O no hydrogen 3.012 N/A ASN 240.A ND2 TRP 236.A O no hydrogen 2.721 N/A GLN 241.A NE2 THR 199.A OG1 no hydrogen 3.311 N/A PHE 242.A N ALA 237.A O no hydrogen 3.392 N/A THR 243.A N TYR 202.A O no hydrogen 2.936 N/A THR 243.A OG1 TYR 202.A O no hydrogen 3.374 N/A PHE 245.A N ASN 234.A OD1 no hydrogen 2.711 N/A VAL 251.A N THR 248.A OG1 no hydrogen 3.142 N/A ASP 252.A N THR 248.A O no hydrogen 3.066 N/A MET 253.A N GLN 249.A O no hydrogen 3.040 N/A LEU 254.A N VAL 251.A O no hydrogen 2.868 N/A ALA 255.A N VAL 251.A O no hydrogen 3.090 N/A VAL 256.A N ASP 252.A O no hydrogen 3.031 N/A LYS 257.A N MET 253.A O no hydrogen 2.930 N/A LYS 257.A NZ ILE 300.A O no hydrogen 3.022 N/A THR 258.A N LEU 254.A O no hydrogen 3.109 N/A THR 258.A OG1 LEU 254.A O no hydrogen 2.928 N/A THR 258.A OG1 ALA 255.A O no hydrogen 3.486 N/A GLY 259.A N ALA 255.A O no hydrogen 2.864 N/A VAL 260.A N THR 258.A OG1 no hydrogen 3.234 N/A ALA 261.A N GLN 264.A OE1 no hydrogen 2.905 N/A GLU 263.A N GLU 263.A OE1 no hydrogen 2.820 N/A GLN 264.A N ALA 261.A O no hydrogen 2.767 N/A GLN 264.A NE2 LYS 224.A O no hydrogen 2.577 N/A LEU 265.A N ALA 261.A O no hydrogen 3.351 N/A LEU 266.A N ILE 262.A O no hydrogen 2.895 N/A TYR 267.A N GLU 263.A O no hydrogen 3.074 N/A ALA 268.A N GLN 264.A O no hydrogen 2.931 N/A ILE 269.A N LEU 265.A O no hydrogen 2.737 N/A GLN 270.A N LEU 266.A O no hydrogen 3.300 N/A GLN 271.A N TYR 267.A O no hydrogen 3.181 N/A LEU 272.A N ALA 268.A O no hydrogen 2.704 N/A TYR 273.A N ILE 269.A O no hydrogen 3.132 N/A THR 274.A N GLN 271.A O no hydrogen 2.923 N/A GLY 275.A N GLN 271.A O no hydrogen 3.298 N/A ILE 281.A N SER 284.A O no hydrogen 3.213 N/A SER 284.A OG MET 286.A O no hydrogen 2.886 N/A GLU 290.A N GLU 288.A OE1 no hydrogen 3.191 N/A THR 292.A N ASP 295.A OD2 no hydrogen 3.125 N/A THR 292.A OG1 GLU 294.A OE1 no hydrogen 3.131 N/A GLU 294.A N GLU 294.A OE1 no hydrogen 2.618 N/A ASP 295.A N THR 292.A OG1 no hydrogen 2.902 N/A VAL 296.A N THR 292.A O no hydrogen 3.086 N/A ASN 297.A N PRO 293.A O no hydrogen 2.990 N/A ASN 297.A ND2 SER 250.A O no hydrogen 2.950 N/A ASN 297.A ND2 PRO 293.A O no hydrogen 3.161 N/A MET 298.A N GLU 294.A O no hydrogen 3.063 N/A GLN 299.A N ASP 295.A O no hydrogen 3.143 N/A GLN 299.A NE2 VAL 4.A O no hydrogen 3.089 N/A ILE 300.A N VAL 296.A O no hydrogen 3.117 N/A