Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG HIS 303.A NE2 no hydrogen 2.930 N/A SER 1.A OG GLN 304.A OE1 no hydrogen 3.211 N/A ALA 3.A N TYR 176.A OH no hydrogen 2.972 N/A ARG 4.A NH1 GLN 304.A O no hydrogen 2.870 N/A TYR 6.A OH ASP 139.A OD1 no hydrogen 3.342 N/A ASN 10.A ND2 GLY 145.A O no hydrogen 3.293 N/A ASN 10.A ND2 TYR 176.A O no hydrogen 2.788 N/A LEU 12.A N ASP 8.A O no hydrogen 3.010 N/A LEU 12.A N VAL 9.A O no hydrogen 3.273 N/A ARG 13.A N ASN 10.A O no hydrogen 3.283 N/A ARG 13.A NH1 GLN 144.A OE1 no hydrogen 3.132 N/A ARG 13.A NH2 GLN 144.A OE1 no hydrogen 2.791 N/A TYR 17.A N PRO 14.A O no hydrogen 3.116 N/A TYR 17.A OH GLN 144.A O no hydrogen 2.661 N/A TRP 18.A N LYS 15.A O no hydrogen 3.023 N/A ASP 19.A N LYS 15.A O no hydrogen 2.858 N/A LEU 23.A N TYR 20.A O no hydrogen 3.188 N/A GLY 28.A N ILE 94.A O no hydrogen 2.934 N/A GLN 30.A N GLN 30.A OE1 no hydrogen 2.708 N/A GLN 30.A NE2 ARG 96.A O no hydrogen 3.095 N/A ASP 32.A N GLU 29.A O no hydrogen 3.207 N/A TYR 33.A N GLN 30.A O no hydrogen 3.189 N/A TYR 33.A OH ASP 93.A OD2 no hydrogen 2.853 N/A GLU 34.A N ILE 51.A O no hydrogen 2.950 N/A VAL 36.A N GLU 49.A O no hydrogen 2.691 N/A ARG 37.A N GLU 49.A O no hydrogen 3.261 N/A VAL 39.A N VAL 47.A O no hydrogen 2.939 N/A GLY 42.A N SER 45.A O no hydrogen 2.769 N/A GLU 46.A N ILE 63.A O no hydrogen 2.828 N/A VAL 47.A N GLY 40.A O no hydrogen 3.155 N/A PHE 48.A N ILE 61.A O no hydrogen 2.810 N/A GLU 49.A N ARG 37.A O no hydrogen 2.724 N/A GLY 50.A N CYS 59.A O no hydrogen 3.091 N/A ILE 51.A N GLU 34.A O no hydrogen 2.645 N/A ASN 52.A N GLU 57.A O no hydrogen 2.735 N/A VAL 53.A N ASP 32.A O no hydrogen 2.802 N/A ASN 55.A N ASN 52.A OD1 no hydrogen 3.459 N/A GLU 57.A N ASN 52.A O no hydrogen 3.183 N/A CYS 59.A N GLY 50.A O no hydrogen 3.338 N/A ILE 60.A N PHE 107.A O no hydrogen 3.227 N/A ILE 61.A N PHE 48.A O no hydrogen 2.889 N/A LYS 62.A N LEU 105.A O no hydrogen 3.121 N/A LYS 62.A NZ GLU 75.A OE2 no hydrogen 3.448 N/A ILE 63.A N GLU 46.A O no hydrogen 2.699 N/A LEU 64.A N PRO 103.A O no hydrogen 3.279 N/A LYS 65.A N TYR 44.A O no hydrogen 2.762 N/A LYS 65.A NZ GLY 42.A O no hydrogen 2.961 N/A LYS 71.A N LYS 68.A O no hydrogen 3.235 N/A LYS 71.A NZ GLY 171.A O no hydrogen 3.057 N/A ILE 72.A N LYS 68.A O no hydrogen 3.482 N/A LYS 73.A N LYS 69.A O no hydrogen 3.004 N/A LYS 73.A NZ LEU 23.A O no hydrogen 3.044 N/A ARG 74.A N LYS 70.A O no hydrogen 2.967 N/A ARG 74.A NH2 GLY 171.A O no hydrogen 3.491 N/A GLU 75.A N LYS 71.A O no hydrogen 3.212 N/A ILE 76.A N ILE 72.A O no hydrogen 3.328 N/A LYS 77.A N LYS 73.A O no hydrogen 2.871 N/A ILE 78.A N ARG 74.A O no hydrogen 3.030 N/A LEU 79.A N GLU 75.A O no hydrogen 2.993 N/A GLN 80.A N ILE 76.A O no hydrogen 3.029 N/A ASN 81.A N LYS 77.A O no hydrogen 3.112 N/A ASN 81.A ND2 TYR 17.A O no hydrogen 3.100 N/A LEU 82.A N ILE 78.A O no hydrogen 3.005 N/A CYS 83.A N LEU 79.A O no hydrogen 2.914 N/A GLY 85.A N LEU 82.A O no hydrogen 2.995 N/A ASN 87.A ND2 GLU 133.A O no hydrogen 3.004 N/A ASN 87.A ND2 GLU 133.A OE1 no hydrogen 3.066 N/A ILE 88.A N GLY 85.A O no hydrogen 3.437 N/A LEU 92.A N ILE 106.A O no hydrogen 2.813 N/A ASP 93.A N ILE 106.A O no hydrogen 3.376 N/A ILE 94.A N ASP 93.A OD1 no hydrogen 2.760 N/A VAL 95.A N SER 104.A O no hydrogen 2.985 N/A ASP 97.A N THR 102.A O no hydrogen 2.961 N/A SER 100.A N ASP 97.A OD2 no hydrogen 3.107 N/A SER 100.A OG ASP 97.A OD2 no hydrogen 2.543 N/A SER 104.A N VAL 95.A O no hydrogen 2.704 N/A LEU 105.A N LYS 62.A O no hydrogen 3.074 N/A ILE 106.A N ASP 93.A O no hydrogen 3.064 N/A PHE 107.A N ILE 60.A O no hydrogen 2.989 N/A GLU 108.A N LYS 90.A O no hydrogen 2.998 N/A LYS 116.A N ASP 114.A OD2 no hydrogen 3.153 N/A VAL 117.A N ASP 114.A O no hydrogen 2.876 N/A LEU 118.A N ASP 114.A O no hydrogen 2.871 N/A TYR 119.A N PHE 115.A O no hydrogen 2.780 N/A THR 121.A N LEU 118.A O no hydrogen 3.038 N/A THR 121.A OG1 LEU 118.A O no hydrogen 2.796 N/A LEU 122.A N TYR 119.A O no hydrogen 3.178 N/A THR 123.A N ASP 126.A OD2 no hydrogen 3.090 N/A ASP 126.A N THR 123.A OG1 no hydrogen 3.108 N/A ILE 127.A N THR 123.A O no hydrogen 3.079 N/A ARG 128.A NH1 TYR 317.A O no hydrogen 3.061 N/A ARG 128.A NH2 ASP 124.A OD1 no hydrogen 3.449 N/A TYR 129.A N TYR 125.A O no hydrogen 2.926 N/A TYR 130.A N ASP 126.A O no hydrogen 2.899 N/A ILE 131.A N ILE 127.A O no hydrogen 3.112 N/A TYR 132.A N ARG 128.A O no hydrogen 2.944 N/A GLU 133.A N TYR 129.A O no hydrogen 3.037 N/A LEU 134.A N TYR 130.A O no hydrogen 2.948 N/A LEU 135.A N ILE 131.A O no hydrogen 2.839 N/A LYS 136.A N TYR 132.A O no hydrogen 3.073 N/A LYS 136.A N GLU 133.A O no hydrogen 3.153 N/A LYS 136.A NZ GLU 133.A OE2 no hydrogen 3.088 N/A LYS 136.A NZ GLU 325.A OE2 no hydrogen 3.131 N/A ALA 137.A N GLU 133.A O no hydrogen 3.359 N/A LEU 138.A N LEU 134.A O no hydrogen 3.074 N/A ASP 139.A N LEU 135.A O no hydrogen 3.026 N/A TYR 140.A N LYS 136.A O no hydrogen 3.123 N/A CYS 141.A N ALA 137.A O no hydrogen 2.934 N/A CYS 141.A SG ALA 137.A O no hydrogen 3.913 N/A CYS 141.A SG LEU 138.A O no hydrogen 3.391 N/A CYS 141.A SG ILE 146.A O no hydrogen 3.479 N/A HIS 142.A N LEU 138.A O no hydrogen 2.941 N/A HIS 142.A NE2 ASP 208.A OD2 no hydrogen 3.049 N/A SER 143.A N ASP 139.A O no hydrogen 2.958 N/A SER 143.A OG TYR 140.A O no hydrogen 2.862 N/A GLN 144.A N TYR 140.A O no hydrogen 3.094 N/A GLN 144.A N CYS 141.A O no hydrogen 2.797 N/A GLN 144.A NE2 SER 143.A OG no hydrogen 2.870 N/A GLY 145.A N HIS 142.A O no hydrogen 3.033 N/A ILE 146.A N CYS 141.A O no hydrogen 2.998 N/A MET 147.A N GLU 174.A O no hydrogen 2.764 N/A HIS 148.A N ASP 208.A OD2 no hydrogen 2.938 N/A HIS 148.A NE2 ILE 168.A O no hydrogen 3.138 N/A ARG 149.A N ASP 208.A OD1 no hydrogen 2.888 N/A ARG 149.A NE LEU 172.A O no hydrogen 2.828 N/A ARG 149.A NH1 TYR 203.A OH no hydrogen 3.207 N/A ARG 149.A NH2 LEU 172.A O no hydrogen 2.875 N/A ASP 150.A N HIS 148.A ND1 no hydrogen 2.922 N/A LYS 152.A NZ SER 188.A OG no hydrogen 2.753 N/A HIS 154.A N HIS 154.A ND1 no hydrogen 2.584 N/A ASN 155.A N LYS 152.A O no hydrogen 2.944 N/A ASN 155.A ND2 ASP 150.A O no hydrogen 2.736 N/A VAL 156.A N PRO 153.A O no hydrogen 3.007 N/A MET 157.A N ARG 166.A O no hydrogen 2.729 N/A ILE 158.A N ASN 112.A OD1 no hydrogen 3.315 N/A ASP 159.A N LYS 164.A O no hydrogen 3.064 N/A LEU 162.A N ASP 159.A OD1 no hydrogen 3.375 N/A ARG 163.A N HIS 160.A O no hydrogen 3.260 N/A ARG 163.A NH1 ASP 126.A OD1 no hydrogen 2.964 N/A ARG 163.A NH2 ASP 126.A OD1 no hydrogen 2.709 N/A LYS 164.A N ASP 159.A O no hydrogen 3.282 N/A ARG 166.A N MET 157.A O no hydrogen 2.838 N/A ARG 166.A NE GLU 108.A OE1 no hydrogen 3.197 N/A ARG 166.A NH1 LEU 165.A O no hydrogen 2.681 N/A LEU 167.A N ASN 87.A O no hydrogen 3.049 N/A ILE 168.A N ASN 155.A O no hydrogen 2.813 N/A TRP 170.A NE1 LEU 167.A O no hydrogen 3.028 N/A ALA 173.A N TRP 170.A O no hydrogen 3.365 N/A GLU 174.A N MET 147.A O no hydrogen 2.885 N/A PHE 175.A N GLU 174.A OE1 no hydrogen 3.055 N/A TYR 176.A N GLY 145.A O no hydrogen 2.868 N/A HIS 177.A N TYR 182.A OH no hydrogen 3.153 N/A LYS 180.A N HIS 177.A O no hydrogen 3.078 N/A TYR 182.A N GLN 201.A O no hydrogen 2.855 N/A TYR 182.A OH PHE 175.A O no hydrogen 2.730 N/A ARG 185.A N ASN 183.A OD1 no hydrogen 2.984 N/A ARG 189.A NH1 GLY 229.A O no hydrogen 3.504 N/A PHE 191.A N SER 188.A O no hydrogen 2.810 N/A LYS 192.A N ARG 189.A O no hydrogen 3.391 N/A LYS 192.A NZ VAL 186.A O no hydrogen 2.978 N/A LYS 192.A NZ ALA 187.A O no hydrogen 2.943 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.679 N/A LEU 197.A N GLY 193.A O no hydrogen 3.253 N/A LEU 197.A N PRO 194.A O no hydrogen 3.029 N/A VAL 198.A N PRO 194.A O no hydrogen 2.922 N/A LEU 200.A N GLU 195.A O no hydrogen 2.834 N/A GLN 201.A NE2 TYR 182.A O no hydrogen 3.139 N/A ASP 202.A N ASP 202.A OD1 no hydrogen 2.505 N/A TYR 203.A OH ASN 183.A O no hydrogen 2.830 N/A TYR 205.A OH TYR 6.A O no hydrogen 2.957 N/A SER 206.A N ASP 204.A OD1 no hydrogen 2.889 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 3.153 N/A SER 206.A OG HIS 303.A O no hydrogen 3.414 N/A LEU 207.A N ASP 204.A O no hydrogen 3.064 N/A ASP 208.A N TYR 205.A O no hydrogen 3.083 N/A MET 209.A N SER 206.A O no hydrogen 3.104 N/A TRP 210.A N SER 206.A O no hydrogen 3.295 N/A SER 211.A N LEU 207.A O no hydrogen 3.340 N/A SER 211.A OG PHE 191.A O no hydrogen 2.961 N/A LEU 212.A N ASP 208.A O no hydrogen 2.987 N/A GLY 213.A N MET 209.A O no hydrogen 2.978 N/A CYS 214.A N TRP 210.A O no hydrogen 3.002 N/A CYS 214.A SG TYR 190.A O no hydrogen 4.018 N/A CYS 214.A SG TRP 210.A O no hydrogen 3.542 N/A MET 215.A N SER 211.A O no hydrogen 3.024 N/A PHE 216.A N LEU 212.A O no hydrogen 2.899 N/A ALA 217.A N GLY 213.A O no hydrogen 2.976 N/A GLY 218.A N CYS 214.A O no hydrogen 3.152 N/A MET 219.A N MET 215.A O no hydrogen 3.175 N/A ILE 220.A N PHE 216.A O no hydrogen 2.933 N/A PHE 221.A N ALA 217.A O no hydrogen 2.945 N/A ARG 222.A NH1 GLU 224.A OE2 no hydrogen 3.098 N/A LYS 223.A N GLY 218.A O no hydrogen 3.232 N/A LYS 223.A NZ PRO 225.A O no hydrogen 3.172 N/A LYS 223.A NZ PHE 226.A O no hydrogen 3.114 N/A GLY 229.A N GLN 235.A OE1 no hydrogen 2.950 N/A HIS 230.A N ASP 234.A OD2 no hydrogen 3.081 N/A ASP 234.A N ASP 231.A OD1 no hydrogen 2.818 N/A GLN 235.A N ASP 231.A O no hydrogen 2.980 N/A GLN 235.A NE2 PHE 227.A O no hydrogen 2.995 N/A LEU 236.A N ASN 232.A O no hydrogen 3.257 N/A VAL 237.A N HIS 233.A O no hydrogen 3.197 N/A LYS 238.A N ASP 234.A O no hydrogen 2.912 N/A LYS 238.A NZ TYR 228.A O no hydrogen 2.692 N/A ILE 239.A N GLN 235.A O no hydrogen 3.025 N/A ALA 240.A N LEU 236.A O no hydrogen 2.919 N/A LYS 241.A N VAL 237.A O no hydrogen 3.017 N/A VAL 242.A N ILE 239.A O no hydrogen 2.832 N/A LEU 243.A N ILE 239.A O no hydrogen 3.058 N/A GLY 244.A N ALA 240.A O no hydrogen 2.941 N/A THR 245.A N HIS 270.A O no hydrogen 2.761 N/A THR 245.A OG1 HIS 270.A O no hydrogen 3.347 N/A ASN 249.A N THR 245.A O no hydrogen 2.993 N/A VAL 250.A N ASP 246.A O no hydrogen 3.046 N/A TYR 251.A N GLY 247.A O no hydrogen 3.003 N/A LEU 252.A N LEU 248.A O no hydrogen 2.857 N/A ASN 253.A N ASN 249.A O no hydrogen 2.917 N/A LYS 254.A N VAL 250.A O no hydrogen 3.070 N/A LYS 254.A NZ TYR 255.A OH no hydrogen 3.445 N/A LYS 254.A NZ ASP 302.A OD2 no hydrogen 2.735 N/A TYR 255.A N TYR 251.A O no hydrogen 3.360 N/A TYR 255.A OH ASP 302.A OD1 no hydrogen 2.756 N/A ILE 257.A N LEU 252.A O no hydrogen 2.734 N/A GLU 264.A N ASP 260.A O no hydrogen 2.956 N/A ALA 265.A N PRO 261.A O no hydrogen 2.876 N/A LEU 266.A N GLN 262.A O no hydrogen 3.132 N/A VAL 267.A N LEU 263.A O no hydrogen 2.799 N/A GLY 268.A N GLU 264.A O no hydrogen 3.212 N/A HIS 270.A N THR 245.A OG1 no hydrogen 3.132 N/A LYS 273.A N VAL 242.A O no hydrogen 2.799 N/A LYS 277.A N PRO 274.A O no hydrogen 2.871 N/A PHE 278.A N TRP 275.A O no hydrogen 3.144 N/A MET 279.A N LEU 276.A O no hydrogen 3.138 N/A ASN 280.A N ASN 283.A OD1 no hydrogen 2.862 N/A ASP 282.A N ASN 280.A OD1 no hydrogen 2.854 N/A ASN 283.A N ASN 280.A O no hydrogen 3.196 N/A ASN 283.A ND2 PHE 221.A O no hydrogen 2.852 N/A ASN 283.A ND2 PHE 278.A O no hydrogen 3.277 N/A LEU 286.A N ASN 283.A O no hydrogen 2.921 N/A ALA 291.A N SER 288.A OG no hydrogen 3.331 N/A ILE 292.A N SER 288.A O no hydrogen 2.999 N/A ASP 293.A N PRO 289.A O no hydrogen 2.852 N/A PHE 294.A N GLU 290.A O no hydrogen 2.880 N/A LEU 295.A N ALA 291.A O no hydrogen 2.866 N/A ASP 296.A N ILE 292.A O no hydrogen 2.856 N/A LYS 297.A N ASP 293.A O no hydrogen 3.303 N/A LYS 297.A NZ ASP 293.A OD2 no hydrogen 2.701 N/A LEU 298.A N LEU 295.A O no hydrogen 2.931 N/A LEU 299.A N LEU 295.A O no hydrogen 3.058 N/A ARG 300.A N LEU 298.A O no hydrogen 3.034 N/A ARG 300.A NH2 ASP 296.A OD2 no hydrogen 3.423 N/A TYR 301.A OH GLY 244.A O no hydrogen 2.761 N/A HIS 303.A NE2 SER 1.A OG no hydrogen 2.930 N/A GLN 304.A N ASP 302.A OD1 no hydrogen 2.808 N/A GLU 305.A N ASP 302.A O no hydrogen 2.781 N/A ARG 306.A NE ARG 300.A O no hydrogen 2.841 N/A ARG 306.A NH1 GLU 195.A OE1 no hydrogen 3.343 N/A ARG 306.A NH1 GLU 195.A OE2 no hydrogen 2.697 N/A ARG 306.A NH1 SER 206.A O no hydrogen 3.212 N/A ARG 306.A NH2 GLU 195.A OE1 no hydrogen 2.782 N/A ARG 306.A NH2 ARG 300.A O no hydrogen 3.164 N/A LEU 307.A N LYS 297.A O no hydrogen 3.396 N/A THR 308.A N GLU 311.A OE1 no hydrogen 2.936 N/A THR 308.A OG1 GLU 311.A OE1 no hydrogen 3.070 N/A GLU 311.A N THR 308.A OG1 no hydrogen 3.057 N/A ALA 312.A N THR 308.A O no hydrogen 2.764 N/A MET 313.A N ALA 309.A O no hydrogen 3.098 N/A THR 314.A N GLU 311.A O no hydrogen 3.065 N/A THR 314.A OG1 GLU 311.A O no hydrogen 2.807 N/A HIS 315.A N ALA 312.A O no hydrogen 3.234 N/A HIS 315.A NE2 ASP 293.A OD2 no hydrogen 2.957 N/A TYR 317.A N HIS 315.A ND1 no hydrogen 2.829 N/A PHE 318.A N HIS 315.A O no hydrogen 3.079 N/A GLN 319.A N PRO 316.A O no hydrogen 2.859 N/A ARG 322.A N PHE 318.A O no hydrogen 3.062 N/A ARG 322.A NH1 MET 313.A O no hydrogen 2.858 N/A ARG 322.A NH1 HIS 315.A O no hydrogen 2.920 N/A ALA 323.A N GLN 319.A O no hydrogen 3.165 N/A ALA 324.A N GLN 320.A O no hydrogen 3.047 N/A GLU 325.A N VAL 321.A O no hydrogen 3.250 N/A GLU 325.A N ARG 322.A O no hydrogen 2.936 N/A ASN 326.A N ARG 322.A O no hydrogen 3.040 N/A SER 327.A N GLU 325.A O no hydrogen 2.762 N/A SER 327.A OG ALA 324.A O no hydrogen 3.151 N/A