Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i53_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLN 55.A OE1 no hydrogen 3.051 N/A PHE 5.A N CYS 97.A O no hydrogen 3.093 N/A CYS 6.A SG ALA 25.A O no hydrogen 3.572 N/A ALA 7.A N HIS 95.A O no hydrogen 2.779 N/A SER 8.A N VAL 27.A O no hydrogen 2.907 N/A ALA 10.A N SER 8.A OG no hydrogen 3.237 N/A LYS 11.A N ASN 19.A OD1 no hydrogen 2.925 N/A LYS 11.A NZ ASP 9.A O no hydrogen 3.261 N/A GLU 14.A N LYS 11.A O no hydrogen 3.154 N/A GLU 16.A N GLU 14.A OE2 no hydrogen 3.190 N/A VAL 17.A N SER 88.A O no hydrogen 2.858 N/A HIS 18.A N GLU 16.A OE2 no hydrogen 2.907 N/A HIS 18.A ND1 GLU 16.A OE2 no hydrogen 2.695 N/A ASN 19.A N GLU 16.A OE1 no hydrogen 2.706 N/A ASN 19.A ND2 GLU 16.A OE1 no hydrogen 2.645 N/A VAL 20.A N GLU 16.A O no hydrogen 3.055 N/A TRP 21.A N VAL 17.A O no hydrogen 2.896 N/A ALA 22.A N HIS 18.A O no hydrogen 2.942 N/A THR 23.A N ASN 19.A O no hydrogen 2.960 N/A THR 23.A OG1 ASN 19.A O no hydrogen 3.165 N/A THR 23.A OG1 VAL 20.A O no hydrogen 2.823 N/A HIS 24.A N TRP 21.A O no hydrogen 3.289 N/A HIS 24.A NE2 GLU 66.A OE1 no hydrogen 2.716 N/A HIS 24.A NE2 GLU 66.A OE2 no hydrogen 3.171 N/A ALA 25.A N TRP 21.A O no hydrogen 2.865 N/A CYS 26.A N ALA 22.A O no hydrogen 2.667 N/A VAL 27.A N CYS 6.A O no hydrogen 2.741 N/A THR 29.A N SER 8.A O no hydrogen 3.281 N/A THR 29.A OG1 ASP 30.A O no hydrogen 3.062 N/A ASN 32.A N ASP 30.A OD2 no hydrogen 3.085 N/A MET 36.A N THR 123.A O no hydrogen 2.537 N/A LEU 38.A N VAL 121.A O no hydrogen 3.314 N/A GLU 43.A N CYS 118.A O no hydrogen 2.919 N/A PHE 45.A N GLY 116.A O no hydrogen 3.004 N/A MET 47.A N GLY 114.A O no hydrogen 3.089 N/A TRP 48.A N ASN 46.A OD1 no hydrogen 3.250 N/A LYS 49.A N ASN 46.A O no hydrogen 2.898 N/A LYS 49.A NZ TRP 48.A O no hydrogen 3.440 N/A LYS 49.A NZ GLU 154.A OE2 no hydrogen 2.591 N/A ASN 50.A ND2 LEU 328.A O no hydrogen 3.556 N/A MET 52.A N ASN 50.A OD1 no hydrogen 2.747 N/A VAL 53.A N ASN 50.A O no hydrogen 3.204 N/A GLN 55.A N ASP 51.A O no hydrogen 3.201 N/A GLN 55.A NE2 THR 2.A O no hydrogen 3.358 N/A GLN 55.A NE2 ASP 51.A OD2 no hydrogen 2.897 N/A MET 56.A N MET 52.A O no hydrogen 3.116 N/A HIS 57.A N VAL 53.A O no hydrogen 2.878 N/A GLU 58.A N GLU 54.A O no hydrogen 3.009 N/A ASP 59.A N GLN 55.A O no hydrogen 3.058 N/A ILE 60.A N MET 56.A O no hydrogen 2.909 N/A ILE 61.A N HIS 57.A O no hydrogen 3.052 N/A SER 62.A N GLU 58.A O no hydrogen 3.193 N/A SER 62.A OG GLU 58.A O no hydrogen 3.487 N/A SER 62.A OG ASP 59.A O no hydrogen 2.823 N/A LEU 63.A N ASP 59.A O no hydrogen 2.641 N/A TRP 64.A N ILE 60.A O no hydrogen 2.793 N/A ASP 65.A N ILE 61.A O no hydrogen 2.836 N/A GLU 66.A N SER 62.A O no hydrogen 2.989 N/A SER 67.A N LEU 63.A O no hydrogen 2.918 N/A SER 67.A OG LEU 63.A O no hydrogen 2.651 N/A LEU 68.A N TRP 64.A O no hydrogen 2.698 N/A VAL 72.A N ILE 285.A O no hydrogen 3.211 N/A LYS 73.A N ILE 80.A O no hydrogen 2.752 N/A LYS 73.A NZ GLU 280.A OE1 no hydrogen 3.098 N/A LEU 74.A N ARG 283.A O no hydrogen 2.796 N/A THR 75.A N SER 78.A O no hydrogen 2.994 N/A ILE 80.A N LYS 73.A O no hydrogen 3.004 N/A GLN 82.A N CYS 71.A O no hydrogen 3.084 N/A GLN 82.A NE2 PRO 70.A O no hydrogen 3.243 N/A LYS 86.A NZ GLU 235.A OE1 no hydrogen 3.373 N/A LYS 86.A NZ GLU 235.A OE2 no hydrogen 2.865 N/A LYS 86.A NZ ALA 287.A O no hydrogen 2.829 N/A ASP 90.A N GLU 16.A OE2 no hydrogen 2.829 N/A LEU 94.A N ILE 130.A O no hydrogen 2.688 N/A HIS 95.A N ALA 7.A O no hydrogen 2.770 N/A HIS 95.A ND1 THR 127.A O no hydrogen 2.792 N/A TYR 96.A N THR 127.A OG1 no hydrogen 2.889 N/A TYR 96.A OH ASP 59.A OD2 no hydrogen 2.782 N/A CYS 97.A N PHE 5.A O no hydrogen 2.780 N/A CYS 97.A SG PHE 5.A O no hydrogen 4.014 N/A ALA 98.A N GLN 125.A O no hydrogen 3.149 N/A PHE 102.A N PRO 99.A O no hydrogen 3.009 N/A ALA 103.A N VAL 334.A O no hydrogen 3.059 N/A ILE 104.A N VAL 124.A O no hydrogen 3.164 N/A LEU 105.A N LYS 332.A O no hydrogen 2.762 N/A LYS 106.A N SER 122.A O no hydrogen 2.715 N/A LYS 106.A NZ GLU 35.A OE2 no hydrogen 3.325 N/A CYS 107.A N LYS 330.A O no hydrogen 3.005 N/A ASN 108.A N ASN 120.A O no hydrogen 2.701 N/A THR 111.A N ASN 109.A OD1 no hydrogen 3.225 N/A THR 111.A OG1 GLU 148.A OE2 no hydrogen 3.412 N/A PHE 112.A N ASN 109.A O no hydrogen 2.862 N/A GLY 116.A N PHE 45.A O no hydrogen 2.979 N/A CYS 118.A N GLU 43.A O no hydrogen 2.635 N/A CYS 118.A SG ASN 120.A O no hydrogen 3.505 N/A THR 123.A N MET 36.A O no hydrogen 2.944 N/A VAL 124.A N ILE 104.A O no hydrogen 3.001 N/A GLN 125.A NE2 ALA 98.A O no hydrogen 2.716 N/A THR 127.A N TYR 96.A O no hydrogen 2.950 N/A THR 127.A OG1 HIS 128.A O no hydrogen 3.231 N/A HIS 128.A N TYR 331.A OH no hydrogen 2.901 N/A HIS 128.A ND1 TYR 331.A OH no hydrogen 2.698 N/A HIS 128.A NE2 GLU 327.A OE1 no hydrogen 3.003 N/A ILE 130.A N LEU 94.A O no hydrogen 2.905 N/A VAL 133.A N LYS 131.A O no hydrogen 2.734 N/A SER 135.A OG LEU 138.A O no hydrogen 2.784 N/A THR 136.A N SER 229.A O no hydrogen 2.964 N/A THR 136.A OG1 GLU 224.A O no hydrogen 2.639 N/A THR 136.A OG1 THR 227.A O no hydrogen 2.852 N/A THR 136.A OG1 SER 229.A OG no hydrogen 3.249 N/A GLN 137.A N GLY 316.A O no hydrogen 2.832 N/A GLN 137.A NE2 ILE 225.A O no hydrogen 2.916 N/A LEU 138.A N THR 136.A O no hydrogen 2.540 N/A LEU 139.A N GLY 302.A O no hydrogen 2.930 N/A ASN 141.A N ASN 299.A O no hydrogen 2.779 N/A GLY 142.A N THR 301.A OG1 no hydrogen 3.047 N/A SER 143.A N GLU 327.A OE2 no hydrogen 2.829 N/A SER 143.A OG GLU 327.A OE1 no hydrogen 2.749 N/A SER 143.A OG GLU 327.A OE2 no hydrogen 3.216 N/A ALA 145.A N LEU 167.A O no hydrogen 2.881 N/A ILE 150.A N HIS 166.A O no hydrogen 3.178 N/A ARG 152.A N ILE 164.A O no hydrogen 2.865 N/A ARG 152.A NH1 PHE 112.A O no hydrogen 3.009 N/A ARG 152.A NH2 HIS 166.A ND1 no hydrogen 3.018 N/A SER 153.A OG ASN 155.A O no hydrogen 2.471 N/A THR 157.A OG1 ASN 155.A OD1 no hydrogen 2.959 N/A ASN 159.A ND2 ARG 307.A O no hydrogen 3.509 N/A ALA 160.A N ASN 158.A OD1 no hydrogen 3.163 N/A LYS 161.A N ASN 158.A O no hydrogen 2.907 N/A LYS 161.A NZ GLU 154.A OE1 no hydrogen 3.017 N/A ILE 163.A N LEU 305.A O no hydrogen 2.922 N/A ILE 164.A N ARG 152.A O no hydrogen 2.698 N/A VAL 165.A N LEU 303.A O no hydrogen 2.805 N/A HIS 166.A N ILE 150.A O no hydrogen 2.877 N/A HIS 166.A NE2 SER 143.A O no hydrogen 2.743 N/A LEU 167.A N THR 301.A O no hydrogen 3.092 N/A SER 170.A OG ASN 299.A OD1 no hydrogen 3.514 N/A VAL 171.A N ILE 300.A O no hydrogen 3.054 N/A ASN 172.A ND2 ASN 297.A OD1 no hydrogen 2.971 N/A ILE 173.A N SER 298.A O no hydrogen 2.984 N/A VAL 174.A N ASN 187.A O no hydrogen 3.246 N/A CYS 175.A N CYS 296.A O no hydrogen 3.198 N/A THR 176.A N HIS 185.A O no hydrogen 2.838 N/A THR 176.A OG1 THR 295.A OG1 no hydrogen 3.028 N/A ARG 177.A N ILE 294.A O no hydrogen 2.888 N/A ARG 177.A NE ARG 177.A O no hydrogen 3.401 N/A ARG 177.A NH1 ILE 181.A O no hydrogen 2.913 N/A ARG 177.A NH1 ILE 290.A O no hydrogen 3.211 N/A ARG 177.A NH2 ILE 290.A O no hydrogen 3.174 N/A ARG 177.A NH2 GLY 292.A O no hydrogen 2.506 N/A ARG 182.A N ASN 180.A OD1 no hydrogen 2.981 N/A ARG 182.A NH2 GLN 273.A OE1 no hydrogen 2.762 N/A GLN 183.A N ASN 180.A O no hydrogen 3.143 N/A ALA 184.A N CYS 269.A O no hydrogen 3.276 N/A HIS 185.A N THR 176.A O no hydrogen 3.058 N/A CYS 186.A N LEU 267.A O no hydrogen 2.783 N/A ASN 187.A N VAL 174.A O no hydrogen 2.744 N/A ILE 188.A N ILE 265.A O no hydrogen 2.760 N/A GLU 190.A N GLY 263.A O no hydrogen 2.993 N/A LYS 192.A N ASN 189.A OD1 no hydrogen 2.844 N/A TRP 193.A N ASN 189.A O no hydrogen 3.087 N/A TRP 193.A NE1 LEU 244.A O no hydrogen 2.827 N/A ASN 194.A N GLU 190.A O no hydrogen 2.620 N/A ASN 195.A N SER 191.A O no hydrogen 3.042 N/A THR 196.A N LYS 192.A O no hydrogen 2.927 N/A THR 196.A OG1 LYS 192.A O no hydrogen 2.709 N/A LEU 197.A N TRP 193.A O no hydrogen 2.894 N/A GLN 198.A N ASN 194.A O no hydrogen 2.906 N/A GLN 198.A NE2 GLU 202.A OE2 no hydrogen 3.093 N/A GLN 198.A NE2 GLY 252.A O no hydrogen 3.236 N/A LYS 199.A N ASN 195.A O no hydrogen 3.043 N/A VAL 200.A N THR 196.A O no hydrogen 2.913 N/A GLY 201.A N LEU 197.A O no hydrogen 2.753 N/A GLU 202.A N GLN 198.A O no hydrogen 3.033 N/A GLU 203.A N LYS 199.A O no hydrogen 2.976 N/A LEU 204.A N VAL 200.A O no hydrogen 3.043 N/A ALA 205.A N GLY 201.A O no hydrogen 2.791 N/A LYS 206.A N GLU 202.A O no hydrogen 2.996 N/A HIS 207.A ND1 GLU 203.A O no hydrogen 3.258 N/A PHE 208.A N LEU 204.A O no hydrogen 2.985 N/A THR 212.A N ASP 309.A O no hydrogen 3.401 N/A THR 212.A OG1 ASP 309.A O no hydrogen 3.564 N/A ILE 213.A N TYR 249.A O no hydrogen 3.115 N/A LYS 214.A N GLU 311.A O no hydrogen 2.763 N/A PHE 215.A N GLY 247.A O no hydrogen 2.862 N/A GLU 216.A N PHE 313.A O no hydrogen 2.936 N/A ILE 225.A N ASP 222.A O no hydrogen 3.061 N/A THR 226.A N ASP 222.A O no hydrogen 3.101 N/A THR 226.A OG1 ASP 222.A O no hydrogen 3.357 N/A THR 227.A N LEU 223.A O no hydrogen 3.113 N/A THR 227.A OG1 LEU 223.A O no hydrogen 2.587 N/A HIS 228.A N CYS 239.A O no hydrogen 2.857 N/A HIS 228.A ND1 THR 136.A O no hydrogen 2.780 N/A SER 229.A N THR 136.A OG1 no hydrogen 3.026 N/A SER 229.A OG THR 136.A OG1 no hydrogen 3.249 N/A SER 229.A OG GLU 224.A O no hydrogen 2.879 N/A PHE 230.A N PHE 237.A O no hydrogen 3.154 N/A CYS 232.A N GLU 235.A O no hydrogen 2.771 N/A GLU 235.A N CYS 232.A O no hydrogen 3.121 N/A PHE 237.A N PHE 230.A O no hydrogen 2.953 N/A TYR 238.A N LYS 270.A O no hydrogen 3.273 N/A TYR 238.A OH GLU 224.A OE2 no hydrogen 2.567 N/A CYS 239.A N HIS 228.A O no hydrogen 2.996 N/A ASN 240.A N GLN 268.A O no hydrogen 2.843 N/A THR 241.A OG1 GLN 137.A OE1 no hydrogen 2.826 N/A SER 242.A N ASN 240.A OD1 no hydrogen 2.883 N/A SER 242.A OG ASN 240.A OD1 no hydrogen 2.677 N/A LEU 244.A N THR 241.A O no hydrogen 2.854 N/A PHE 245.A N THR 241.A O no hydrogen 3.027 N/A ASN 246.A ND2 SER 242.A O no hydrogen 2.755 N/A GLY 247.A N PHE 215.A O no hydrogen 3.182 N/A THR 248.A N ASN 255.A O no hydrogen 3.055 N/A TYR 249.A N ILE 213.A O no hydrogen 2.666 N/A ARG 250.A N THR 253.A O no hydrogen 2.883 N/A THR 253.A N ARG 250.A O no hydrogen 3.091 N/A TYR 254.A N GLN 198.A OE1 no hydrogen 2.879 N/A TYR 254.A OH HIS 256.A ND1 no hydrogen 2.982 N/A ASN 255.A N THR 248.A O no hydrogen 2.820 N/A HIS 256.A ND1 TYR 254.A OH no hydrogen 2.982 N/A THR 257.A N ASN 246.A O no hydrogen 2.999 N/A THR 257.A OG1 ASN 246.A OD1 no hydrogen 2.710 N/A ARG 259.A N ASP 243.A OD1 no hydrogen 2.950 N/A SER 260.A OG GLU 190.A OE2 no hydrogen 2.839 N/A SER 261.A N THR 264.A O no hydrogen 3.402 N/A THR 264.A N SER 261.A O no hydrogen 3.457 N/A ILE 265.A N ILE 188.A O no hydrogen 2.738 N/A LEU 267.A N CYS 186.A O no hydrogen 2.790 N/A CYS 269.A N ALA 184.A O no hydrogen 2.802 N/A CYS 269.A SG LEU 267.A O no hydrogen 3.801 N/A LYS 270.A N TYR 238.A O no hydrogen 2.840 N/A ILE 271.A N ARG 182.A O no hydrogen 2.916 N/A LYS 272.A N PHE 236.A O no hydrogen 3.017 N/A GLN 273.A NE2 TYR 286.A O no hydrogen 2.692 N/A ILE 275.A N ALA 284.A O no hydrogen 2.818 N/A ASN 276.A N GLU 224.A OE2 no hydrogen 3.019 N/A MET 277.A N GLY 282.A O no hydrogen 2.865 N/A GLN 279.A N GLN 279.A OE1 no hydrogen 2.643 N/A ARG 283.A N LEU 74.A O no hydrogen 3.009 N/A ALA 284.A N ILE 275.A O no hydrogen 2.917 N/A ILE 285.A N VAL 72.A O no hydrogen 2.839 N/A TYR 286.A N GLN 273.A O no hydrogen 2.874 N/A TYR 286.A OH LEU 68.A O no hydrogen 3.261 N/A ILE 290.A N GLU 235.A OE2 no hydrogen 2.953 N/A ILE 294.A N ARG 177.A O no hydrogen 3.192 N/A THR 295.A OG1 CYS 175.A O no hydrogen 3.221 N/A THR 295.A OG1 THR 176.A OG1 no hydrogen 3.028 N/A CYS 296.A N CYS 175.A O no hydrogen 2.975 N/A SER 298.A N ILE 173.A O no hydrogen 2.961 N/A ASN 299.A N ASN 141.A OD1 no hydrogen 3.118 N/A ILE 300.A N VAL 171.A O no hydrogen 2.808 N/A THR 301.A N LEU 139.A O no hydrogen 2.861 N/A THR 301.A OG1 LEU 139.A O no hydrogen 3.557 N/A LEU 303.A N VAL 165.A O no hydrogen 2.916 N/A LEU 304.A N GLN 137.A O no hydrogen 3.012 N/A LEU 305.A N ILE 163.A O no hydrogen 2.854 N/A LEU 306.A N ARG 314.A O no hydrogen 2.729 N/A ARG 307.A NH2 LEU 156.A O no hydrogen 3.165 N/A ARG 307.A NH2 THR 157.A O no hydrogen 3.164 N/A ASP 308.A N THR 312.A O no hydrogen 2.803 N/A THR 310.A OG1 THR 212.A O no hydrogen 2.826 N/A PHE 313.A N LYS 214.A O no hydrogen 2.829 N/A ARG 314.A N LEU 306.A O no hydrogen 2.839 N/A ARG 314.A NE ASP 308.A OD1 no hydrogen 2.745 N/A ARG 314.A NE ASP 308.A OD2 no hydrogen 3.020 N/A ARG 314.A NH1 PRO 217.A O no hydrogen 2.974 N/A ARG 314.A NH2 ASP 308.A OD2 no hydrogen 2.664 N/A GLY 316.A N LEU 304.A O no hydrogen 2.763 N/A ARG 321.A N ASP 319.A OD1 no hydrogen 3.071 N/A ASP 322.A N ASP 319.A O no hydrogen 2.960 N/A ASN 323.A N MET 320.A O no hydrogen 2.905 N/A ASN 323.A ND2 VAL 133.A O no hydrogen 3.431 N/A ASN 323.A ND2 SER 135.A O no hydrogen 3.177 N/A TRP 324.A N MET 320.A O no hydrogen 3.259 N/A TRP 324.A NE1 HIS 57.A ND1 no hydrogen 2.992 N/A ARG 325.A N ARG 321.A O no hydrogen 3.062 N/A ARG 325.A NE MET 47.A O no hydrogen 3.378 N/A ARG 325.A NH2 TRP 48.A O no hydrogen 3.556 N/A SER 326.A N ASP 322.A O no hydrogen 3.160 N/A SER 326.A OG ASN 323.A O no hydrogen 2.702 N/A GLU 327.A N TRP 324.A O no hydrogen 3.114 N/A LEU 328.A N TRP 324.A O no hydrogen 2.958 N/A TYR 331.A N LEU 328.A O no hydrogen 3.122 N/A TYR 331.A OH HIS 128.A ND1 no hydrogen 2.698 N/A LYS 332.A N LEU 105.A O no hydrogen 3.182 N/A LYS 332.A NZ ASN 44.A O no hydrogen 3.504 N/A VAL 334.A N ALA 103.A O no hydrogen 3.141 N/A ILE 336.A N GLY 101.A O no hydrogen 3.226 N/A