Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N VAL 16.A O no hydrogen 2.948 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.591 N/A GLN 7.A N TRP 14.A O no hydrogen 2.960 N/A LEU 9.A N THR 12.A O no hydrogen 2.677 N/A THR 12.A OG1 ASN 10.A O no hydrogen 3.053 N/A TRP 14.A N GLN 7.A O no hydrogen 2.826 N/A GLU 15.A N TYR 97.A OH no hydrogen 2.916 N/A VAL 16.A N TYR 5.A O no hydrogen 3.183 N/A GLU 18.A N THR 3.A O no hydrogen 2.834 N/A ARG 19.A NH1 ASP 37.A OD1 no hydrogen 3.249 N/A ARG 19.A NH1 ASP 37.A OD2 no hydrogen 2.717 N/A TYR 20.A N PRO 17.A O no hydrogen 2.929 N/A TYR 20.A OH ASP 82.A OD2 no hydrogen 2.770 N/A GLN 21.A N PHE 36.A O no hydrogen 3.062 N/A ASN 22.A N GLN 21.A OE1 no hydrogen 3.053 N/A SER 24.A N ALA 34.A O no hydrogen 2.924 N/A VAL 26.A N VAL 32.A O no hydrogen 2.855 N/A GLY 29.A N GLY 30.A O no hydrogen 3.244 N/A SER 31.A N LYS 48.A O no hydrogen 2.990 N/A CYS 33.A N VAL 46.A O no hydrogen 2.938 N/A ALA 34.A N SER 24.A O no hydrogen 2.825 N/A ALA 35.A N VAL 44.A O no hydrogen 2.869 N/A PHE 36.A N GLN 21.A O no hydrogen 2.940 N/A ASP 37.A N LEU 42.A O no hydrogen 2.726 N/A THR 38.A N ARG 19.A O no hydrogen 2.818 N/A THR 38.A OG1 ARG 19.A O no hydrogen 2.973 N/A LYS 39.A N ASP 37.A OD1 no hydrogen 2.967 N/A THR 40.A N ASP 37.A O no hydrogen 3.266 N/A THR 40.A OG1 ASP 37.A O no hydrogen 3.550 N/A THR 40.A OG1 ASP 37.A OD2 no hydrogen 2.907 N/A GLY 41.A N ASP 37.A O no hydrogen 2.749 N/A LEU 42.A N THR 40.A OG1 no hydrogen 3.397 N/A VAL 44.A N ALA 35.A O no hydrogen 2.790 N/A ALA 45.A N THR 100.A O no hydrogen 2.633 N/A VAL 46.A N CYS 33.A O no hydrogen 2.962 N/A LYS 47.A N LEU 98.A O no hydrogen 2.782 N/A LYS 47.A NZ GLU 65.A OE1 no hydrogen 3.444 N/A LYS 48.A N SER 31.A O no hydrogen 2.808 N/A LYS 48.A NZ ILE 13.A O no hydrogen 2.828 N/A LEU 49.A N VAL 96.A O no hydrogen 3.030 N/A ARG 51.A NH1 GLN 54.A OE1 no hydrogen 3.127 N/A GLN 54.A N ARG 51.A O no hydrogen 3.168 N/A HIS 58.A N SER 55.A OG no hydrogen 3.013 N/A HIS 58.A ND1 ARG 51.A O no hydrogen 2.779 N/A ALA 59.A N SER 55.A O no hydrogen 2.874 N/A LYS 60.A N ILE 56.A O no hydrogen 2.949 N/A LYS 60.A NZ GLU 305.A O no hydrogen 2.639 N/A LYS 60.A NZ ARG 307.A O no hydrogen 3.120 N/A ARG 61.A N ILE 57.A O no hydrogen 2.874 N/A THR 62.A N HIS 58.A O no hydrogen 2.804 N/A THR 62.A OG1 PRO 52.A O no hydrogen 2.805 N/A THR 62.A OG1 HIS 58.A O no hydrogen 2.861 N/A TYR 63.A N ALA 59.A O no hydrogen 3.101 N/A ARG 64.A N LYS 60.A O no hydrogen 2.741 N/A ARG 64.A NE GLU 305.A OE1 no hydrogen 2.553 N/A ARG 64.A NH2 GLU 305.A OE1 no hydrogen 3.315 N/A ARG 64.A NH2 GLU 305.A OE2 no hydrogen 2.530 N/A GLU 65.A N ARG 61.A O no hydrogen 2.874 N/A LEU 66.A N THR 62.A O no hydrogen 2.979 N/A ARG 67.A N TYR 63.A O no hydrogen 2.803 N/A ARG 67.A NH1 TYR 63.A OH no hydrogen 3.083 N/A ARG 67.A NH2 ASP 301.A O no hydrogen 3.133 N/A LEU 68.A N ARG 64.A O no hydrogen 3.029 N/A LEU 69.A N GLU 65.A O no hydrogen 3.029 N/A LYS 70.A N LEU 66.A O no hydrogen 2.928 N/A LYS 70.A NZ GLU 321.A O no hydrogen 2.734 N/A LYS 70.A NZ GLU 321.A OE1 no hydrogen 2.604 N/A HIS 71.A N ARG 67.A O no hydrogen 3.152 N/A HIS 71.A N LEU 68.A O no hydrogen 3.052 N/A HIS 71.A NE2 ASP 298.A O no hydrogen 2.728 N/A MET 72.A N LEU 68.A O no hydrogen 3.164 N/A LYS 73.A N TYR 130.A OH no hydrogen 2.880 N/A ASN 76.A N HIS 74.A ND1 no hydrogen 2.939 N/A ASN 76.A ND2 LEU 154.A O no hydrogen 3.018 N/A VAL 77.A N HIS 74.A O no hydrogen 3.174 N/A ILE 78.A N ILE 156.A O no hydrogen 2.854 N/A LEU 81.A N VAL 99.A O no hydrogen 2.744 N/A ASP 82.A N VAL 99.A O no hydrogen 3.401 N/A PHE 84.A N TYR 97.A O no hydrogen 3.035 N/A THR 85.A OG1 ASP 95.A O no hydrogen 2.746 N/A ALA 87.A N THR 85.A OG1 no hydrogen 3.238 N/A PHE 93.A N LEU 90.A O no hydrogen 3.156 N/A ASN 94.A ND2 GLU 92.A O no hydrogen 3.458 N/A TYR 97.A N PHE 84.A O no hydrogen 3.076 N/A LEU 98.A N LYS 47.A O no hydrogen 2.891 N/A VAL 99.A N ASP 82.A O no hydrogen 3.016 N/A THR 100.A N ALA 45.A O no hydrogen 2.795 N/A LEU 102.A N ARG 43.A O no hydrogen 3.194 N/A LEU 107.A N LEU 146.A O no hydrogen 3.034 N/A ASN 109.A N ASP 106.A OD2 no hydrogen 2.783 N/A ILE 110.A N ASN 108.A O no hydrogen 2.787 N/A LEU 112.A N LEU 193.A O no hydrogen 3.330 N/A HIS 116.A N THR 113.A OG1 no hydrogen 3.328 N/A VAL 117.A N THR 113.A O no hydrogen 2.947 N/A GLN 118.A N ASP 114.A O no hydrogen 2.833 N/A GLN 118.A NE2 ASP 114.A OD2 no hydrogen 2.762 N/A PHE 119.A N ASP 115.A O no hydrogen 3.101 N/A LEU 120.A N HIS 116.A O no hydrogen 3.030 N/A ILE 121.A N VAL 117.A O no hydrogen 2.873 N/A TYR 122.A N GLN 118.A O no hydrogen 2.918 N/A TYR 122.A OH GLU 294.A OE2 no hydrogen 2.385 N/A GLN 123.A N PHE 119.A O no hydrogen 3.160 N/A GLN 123.A NE2 PHE 119.A O no hydrogen 3.110 N/A GLN 123.A NE2 CYS 152.A O no hydrogen 2.872 N/A ILE 124.A N LEU 120.A O no hydrogen 3.103 N/A LEU 125.A N ILE 121.A O no hydrogen 2.972 N/A ARG 126.A N TYR 122.A O no hydrogen 2.873 N/A ARG 126.A NE ASP 293.A O no hydrogen 2.847 N/A ARG 126.A NH1 ASP 293.A O no hydrogen 2.993 N/A ARG 126.A NH1 ASP 293.A OD2 no hydrogen 2.917 N/A ARG 126.A NH2 ASN 76.A OD1 no hydrogen 2.867 N/A GLY 127.A N GLN 123.A O no hydrogen 2.961 N/A LEU 128.A N ILE 124.A O no hydrogen 2.863 N/A LYS 129.A N LEU 125.A O no hydrogen 2.817 N/A LYS 129.A NZ GLU 294.A O no hydrogen 2.832 N/A TYR 130.A N ARG 126.A O no hydrogen 3.403 N/A TYR 130.A OH HIS 71.A O no hydrogen 3.271 N/A ILE 131.A N GLY 127.A O no hydrogen 2.863 N/A HIS 132.A N LEU 128.A O no hydrogen 2.779 N/A HIS 132.A NE2 ASP 182.A OD2 no hydrogen 2.601 N/A SER 133.A N LYS 129.A O no hydrogen 2.836 N/A SER 133.A OG LYS 129.A O no hydrogen 3.408 N/A SER 133.A OG TYR 130.A O no hydrogen 2.698 N/A ALA 134.A N ILE 131.A O no hydrogen 3.120 N/A ASP 135.A N HIS 132.A O no hydrogen 2.865 N/A ILE 136.A N ILE 131.A O no hydrogen 3.375 N/A HIS 138.A N ASP 182.A OD2 no hydrogen 2.788 N/A HIS 138.A NE2 LEU 157.A O no hydrogen 2.576 N/A ARG 139.A N ASP 182.A OD1 no hydrogen 2.825 N/A ARG 139.A NE TYR 177.A OH no hydrogen 2.782 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 2.984 N/A LYS 142.A NZ THR 162.A OG1 no hydrogen 2.691 N/A ASN 145.A N LYS 142.A O no hydrogen 2.829 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.733 N/A ASN 145.A ND2 ASP 158.A OD1 no hydrogen 3.256 N/A LEU 146.A N PRO 143.A O no hydrogen 2.945 N/A ALA 147.A N LYS 155.A O no hydrogen 2.817 N/A VAL 148.A N ALA 105.A O no hydrogen 2.843 N/A ASN 149.A N GLU 153.A O no hydrogen 3.019 N/A ASN 149.A ND2 GLU 153.A OE2 no hydrogen 2.696 N/A CYS 152.A N ASN 149.A O no hydrogen 2.955 N/A GLU 153.A N ASN 149.A OD1 no hydrogen 3.183 N/A LEU 154.A N GLN 123.A OE1 no hydrogen 2.817 N/A LYS 155.A N ALA 147.A O no hydrogen 2.863 N/A LYS 155.A NZ GLU 75.A O no hydrogen 3.147 N/A ILE 156.A N ASN 76.A O no hydrogen 2.905 N/A LEU 157.A N ASN 145.A O no hydrogen 2.993 N/A PHE 159.A N ASN 145.A OD1 no hydrogen 2.959 N/A ARG 163.A NE GLY 202.A O no hydrogen 2.851 N/A ARG 163.A NH2 GLY 202.A O no hydrogen 3.244 N/A TRP 164.A N ALA 161.A O no hydrogen 3.138 N/A TRP 164.A NE1 GLY 202.A O no hydrogen 2.844 N/A TYR 165.A N THR 162.A O no hydrogen 3.069 N/A TYR 165.A OH GLU 192.A OE1 no hydrogen 2.487 N/A TYR 165.A OH GLU 192.A OE2 no hydrogen 3.355 N/A ARG 166.A N ARG 163.A O no hydrogen 3.129 N/A ARG 166.A NE ARG 139.A O no hydrogen 3.374 N/A ARG 166.A NH1 ARG 139.A O no hydrogen 2.903 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.672 N/A ILE 170.A N ALA 167.A O no hydrogen 3.002 N/A MET 171.A N ALA 167.A O no hydrogen 3.338 N/A LEU 172.A N PRO 168.A O no hydrogen 3.041 N/A ASN 173.A N ILE 170.A O no hydrogen 2.871 N/A TRP 174.A N GLU 169.A O no hydrogen 2.789 N/A GLN 179.A NE2 HIS 132.A O no hydrogen 3.038 N/A THR 180.A N ASN 178.A OD1 no hydrogen 3.188 N/A THR 180.A OG1 ASN 178.A OD1 no hydrogen 2.848 N/A VAL 181.A N ASN 178.A O no hydrogen 3.103 N/A ASP 182.A N GLN 179.A O no hydrogen 2.932 N/A TRP 184.A N THR 180.A O no hydrogen 3.124 N/A SER 185.A N VAL 181.A O no hydrogen 3.198 N/A SER 185.A OG TYR 165.A O no hydrogen 2.664 N/A SER 185.A OG VAL 181.A O no hydrogen 3.234 N/A VAL 186.A N ASP 182.A O no hydrogen 3.003 N/A GLY 187.A N ILE 183.A O no hydrogen 2.888 N/A CYS 188.A N TRP 184.A O no hydrogen 3.020 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.521 N/A ILE 189.A N SER 185.A O no hydrogen 2.903 N/A MET 190.A N VAL 186.A O no hydrogen 2.762 N/A ALA 191.A N GLY 187.A O no hydrogen 2.945 N/A GLU 192.A N CYS 188.A O no hydrogen 3.130 N/A LEU 193.A N ILE 189.A O no hydrogen 2.904 N/A LEU 194.A N MET 190.A O no hydrogen 3.058 N/A LEU 194.A N ALA 191.A O no hydrogen 3.105 N/A THR 195.A N ALA 191.A O no hydrogen 2.979 N/A THR 195.A OG1 ALA 191.A O no hydrogen 2.984 N/A GLY 196.A N GLU 192.A O no hydrogen 2.851 N/A ARG 197.A N THR 195.A OG1 no hydrogen 3.209 N/A GLY 202.A N PHE 200.A O no hydrogen 2.909 N/A GLY 202.A N GLN 208.A OE1 no hydrogen 2.984 N/A THR 203.A N ASP 207.A OD2 no hydrogen 2.903 N/A THR 203.A OG1 ASP 204.A OD1 no hydrogen 3.480 N/A THR 203.A OG1 ASP 207.A OD2 no hydrogen 3.363 N/A ASP 207.A N ASP 204.A OD2 no hydrogen 3.002 N/A GLN 208.A N ASP 204.A O no hydrogen 2.795 N/A GLN 208.A NE2 TRP 164.A O no hydrogen 3.421 N/A GLN 208.A NE2 PHE 200.A O no hydrogen 2.977 N/A LEU 209.A N HIS 205.A O no hydrogen 3.210 N/A LYS 210.A N ILE 206.A O no hydrogen 3.033 N/A LYS 210.A NZ ASP 207.A OD1 no hydrogen 3.050 N/A LEU 211.A N ASP 207.A O no hydrogen 2.939 N/A ILE 212.A N GLN 208.A O no hydrogen 2.970 N/A LEU 213.A N LEU 209.A O no hydrogen 2.794 N/A ARG 214.A N LYS 210.A O no hydrogen 3.072 N/A VAL 216.A N ILE 212.A O no hydrogen 2.952 N/A GLY 217.A N LEU 213.A O no hydrogen 2.641 N/A THR 218.A N MET 242.A O no hydrogen 3.126 N/A THR 218.A OG1 MET 242.A O no hydrogen 3.484 N/A LEU 224.A N GLY 220.A O no hydrogen 2.981 N/A LYS 225.A N ALA 221.A O no hydrogen 3.239 N/A LYS 226.A N LEU 223.A O no hydrogen 2.969 N/A LYS 226.A NZ ASP 269.A OD1 no hydrogen 3.465 N/A LYS 226.A NZ ASP 269.A OD2 no hydrogen 2.778 N/A LYS 226.A NZ ASP 271.A OD2 no hydrogen 2.706 N/A ILE 227.A N LEU 224.A O no hydrogen 3.304 N/A SER 231.A OG SER 229.A OG no hydrogen 3.115 N/A ALA 232.A N SER 229.A OG no hydrogen 3.248 N/A ARG 233.A N SER 229.A O no hydrogen 2.958 N/A ARG 233.A NE ILE 227.A O no hydrogen 2.974 N/A ARG 233.A NH1 SER 228.A O no hydrogen 2.990 N/A ASN 234.A N GLU 230.A O no hydrogen 2.966 N/A TYR 235.A N SER 231.A O no hydrogen 2.887 N/A ILE 236.A N ALA 232.A O no hydrogen 2.808 N/A GLN 237.A N ARG 233.A O no hydrogen 2.750 N/A SER 238.A N ASN 234.A O no hydrogen 2.900 N/A SER 238.A OG ASN 234.A O no hydrogen 2.568 N/A LEU 239.A N ILE 236.A O no hydrogen 3.104 N/A MET 242.A N THR 218.A OG1 no hydrogen 3.129 N/A MET 245.A N LEU 215.A O no hydrogen 2.837 N/A VAL 250.A N ASN 246.A O no hydrogen 2.961 N/A PHE 251.A N PHE 247.A O no hydrogen 2.790 N/A ILE 252.A N ASN 249.A O no hydrogen 3.049 N/A ALA 254.A N PHE 251.A O no hydrogen 3.011 N/A ASN 255.A ND2 ASP 114.A OD2 no hydrogen 3.013 N/A LEU 257.A N ASN 255.A OD1 no hydrogen 2.756 N/A VAL 259.A N ASN 255.A O no hydrogen 2.978 N/A ASP 260.A N PRO 256.A O no hydrogen 2.871 N/A LEU 261.A N LEU 257.A O no hydrogen 3.104 N/A LEU 262.A N ALA 258.A O no hydrogen 2.913 N/A GLU 263.A N VAL 259.A O no hydrogen 3.038 N/A LYS 264.A N ASP 260.A O no hydrogen 3.088 N/A LYS 264.A NZ ASP 260.A OD2 no hydrogen 2.733 N/A MET 265.A N LEU 261.A O no hydrogen 2.959 N/A LEU 266.A N LEU 262.A O no hydrogen 2.944 N/A ASP 271.A N ASP 269.A OD1 no hydrogen 2.992 N/A LYS 272.A N ASP 269.A O no hydrogen 2.920 N/A LYS 272.A NZ GLU 222.A OE2 no hydrogen 3.519 N/A ARG 273.A N SER 270.A O no hydrogen 3.376 N/A ARG 273.A NE VAL 267.A O no hydrogen 3.009 N/A ARG 273.A NH1 GLU 169.A OE1 no hydrogen 2.906 N/A ARG 273.A NH1 VAL 267.A O no hydrogen 3.559 N/A ARG 273.A NH1 LEU 268.A O no hydrogen 2.961 N/A ARG 273.A NH2 GLU 169.A OE1 no hydrogen 3.569 N/A ARG 273.A NH2 GLU 169.A OE2 no hydrogen 2.753 N/A ARG 273.A NH2 THR 180.A O no hydrogen 3.187 N/A ILE 274.A N LYS 264.A O no hydrogen 3.042 N/A THR 275.A N GLN 278.A OE1 no hydrogen 3.085 N/A GLN 278.A N THR 275.A OG1 no hydrogen 3.121 N/A ALA 279.A N THR 275.A O no hydrogen 2.854 N/A LEU 280.A N ALA 276.A O no hydrogen 3.041 N/A ALA 281.A N GLN 278.A O no hydrogen 3.043 N/A HIS 282.A N ALA 279.A O no hydrogen 2.936 N/A HIS 282.A NE2 ASP 260.A OD2 no hydrogen 2.603 N/A TYR 284.A N HIS 282.A ND1 no hydrogen 3.065 N/A TYR 284.A OH ASP 114.A OD1 no hydrogen 2.820 N/A PHE 285.A N HIS 282.A O no hydrogen 2.918 N/A ALA 286.A N ALA 283.A O no hydrogen 3.163 N/A GLN 287.A NE2 ASP 115.A OD2 no hydrogen 3.286 N/A GLN 287.A NE2 GLN 118.A OE1 no hydrogen 2.645 N/A TYR 288.A N PHE 285.A O no hydrogen 2.885 N/A HIS 289.A N PHE 285.A O no hydrogen 2.834 N/A HIS 289.A ND1 GLU 294.A OE2 no hydrogen 2.823 N/A ASP 290.A N GLU 294.A OE2 no hydrogen 3.181 N/A ASP 292.A N ASP 290.A OD1 no hydrogen 2.963 N/A ASP 293.A N ASP 290.A O no hydrogen 2.872 N/A ALA 297.A N SER 133.A OG no hydrogen 2.834 N/A GLN 302.A NE2 ASP 135.A O no hydrogen 2.811 N/A SER 303.A N ASP 301.A OD1 no hydrogen 3.166 N/A SER 303.A OG ASP 301.A OD1 no hydrogen 2.663 N/A SER 303.A OG ASP 301.A OD2 no hydrogen 3.485 N/A GLU 305.A N GLN 302.A O no hydrogen 2.969 N/A SER 306.A N SER 303.A O no hydrogen 3.241 N/A SER 306.A OG SER 303.A O no hydrogen 2.947 N/A ARG 307.A N PHE 304.A O no hydrogen 2.943 N/A LEU 310.A N GLU 313.A OE1 no hydrogen 3.083 N/A TRP 314.A N LEU 310.A O no hydrogen 3.057 N/A LYS 315.A N ILE 311.A O no hydrogen 2.849 N/A LYS 315.A NZ PHE 93.A O no hydrogen 2.717 N/A SER 316.A N ASP 312.A O no hydrogen 2.866 N/A LEU 317.A N GLU 313.A O no hydrogen 2.988 N/A THR 318.A N TRP 314.A O no hydrogen 2.978 N/A THR 318.A OG1 TRP 314.A O no hydrogen 2.932 N/A TYR 319.A N LYS 315.A O no hydrogen 2.971 N/A ASP 320.A N SER 316.A O no hydrogen 2.971 N/A GLU 321.A N LEU 317.A O no hydrogen 3.085 N/A VAL 322.A N THR 318.A O no hydrogen 2.983 N/A ILE 323.A N TYR 319.A O no hydrogen 2.995 N/A SER 324.A N ASP 320.A O no hydrogen 2.918 N/A SER 324.A OG ASP 320.A O no hydrogen 3.252 N/A SER 324.A OG GLU 321.A O no hydrogen 3.468 N/A PHE 325.A N VAL 322.A O no hydrogen 3.362 N/A