Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pga_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ LYS 1.A O no hydrogen 3.480 N/A ASN 4.A N ASP 85.A OD2 no hydrogen 2.846 N/A VAL 5.A N ASN 49.A O no hydrogen 2.770 N/A VAL 6.A N GLY 86.A O no hydrogen 3.017 N/A ILE 7.A N ARG 51.A O no hydrogen 2.948 N/A LEU 8.A N VAL 88.A O no hydrogen 2.681 N/A ALA 9.A N GLU 53.A O no hydrogen 2.938 N/A THR 10.A N THR 90.A O no hydrogen 3.005 N/A THR 10.A OG1 THR 90.A O no hydrogen 2.823 N/A GLY 12.A N ILE 58.A O no hydrogen 2.785 N/A THR 13.A OG1 TYR 27.A OH no hydrogen 2.903 N/A GLY 16.A N THR 13.A O no hydrogen 2.759 N/A ALA 17.A N GLN 28.A O no hydrogen 2.658 N/A GLY 18.A N THR 123.A OG1 no hydrogen 2.767 N/A SER 20.A N ASN 23.A OD1 no hydrogen 3.059 N/A SER 20.A OG ASN 23.A OD1 no hydrogen 3.204 N/A ALA 22.A N SER 20.A OG no hydrogen 3.191 N/A ASN 23.A N SER 20.A O no hydrogen 2.863 N/A SER 24.A N ALA 22.A O no hydrogen 3.055 N/A TYR 27.A OH THR 13.A OG1 no hydrogen 2.903 N/A GLN 28.A N ALA 17.A O no hydrogen 2.758 N/A ALA 30.A N GLY 12.A O no hydrogen 2.885 N/A LYS 31.A N ALA 15.A O no hydrogen 2.659 N/A VAL 32.A N ALA 15.A O no hydrogen 2.779 N/A VAL 34.A N GLN 54.A OE1 no hydrogen 2.821 N/A LYS 36.A N GLY 33.A O no hydrogen 2.832 N/A LEU 37.A N GLY 33.A O no hydrogen 3.073 N/A ILE 38.A N VAL 34.A O no hydrogen 2.967 N/A ALA 39.A N ASP 35.A O no hydrogen 3.073 N/A GLY 40.A N LYS 36.A O no hydrogen 3.051 N/A VAL 41.A N ILE 38.A O no hydrogen 2.864 N/A LEU 44.A N VAL 41.A O no hydrogen 2.949 N/A ALA 45.A N PRO 42.A O no hydrogen 3.257 N/A ASP 46.A N GLU 43.A O no hydrogen 3.207 N/A LEU 47.A N LEU 44.A O no hydrogen 2.837 N/A ALA 48.A N LEU 44.A O no hydrogen 3.243 N/A ASN 49.A N ALA 3.A O no hydrogen 2.811 N/A ASN 49.A ND2 LEU 2.A O no hydrogen 3.286 N/A ASN 49.A ND2 ALA 3.A O no hydrogen 3.648 N/A ASN 49.A ND2 ASN 4.A OD1 no hydrogen 3.472 N/A ARG 51.A N VAL 5.A O no hydrogen 3.207 N/A GLU 53.A N ILE 7.A O no hydrogen 2.960 N/A GLN 54.A NE2 MET 56.A O no hydrogen 2.757 N/A VAL 55.A N ALA 9.A O no hydrogen 2.807 N/A MET 56.A N ALA 9.A O no hydrogen 3.325 N/A GLN 57.A NE2 VAL 32.A O no hydrogen 3.155 N/A ILE 58.A N THR 10.A O no hydrogen 2.916 N/A SER 60.A OG THR 95.A OG1 no hydrogen 3.374 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.708 N/A SER 62.A N ALA 59.A O no hydrogen 3.034 N/A THR 64.A N ASP 67.A OD2 no hydrogen 3.030 N/A ASP 67.A N THR 64.A OG1 no hydrogen 3.185 N/A LEU 68.A N THR 64.A O no hydrogen 3.090 N/A LEU 69.A N ASN 65.A O no hydrogen 3.035 N/A LYS 70.A N ASP 66.A O no hydrogen 2.829 N/A LYS 70.A NZ VAL 55.A O no hydrogen 3.147 N/A LEU 71.A N ASP 67.A O no hydrogen 3.013 N/A GLY 72.A N LEU 68.A O no hydrogen 2.936 N/A LYS 73.A N LEU 69.A O no hydrogen 3.016 N/A LYS 73.A NZ ILE 208.A O no hydrogen 2.895 N/A LYS 73.A NZ ILE 211.A O no hydrogen 3.133 N/A ARG 74.A N LYS 70.A O no hydrogen 3.189 N/A ARG 74.A NE ARG 74.A O no hydrogen 3.255 N/A ARG 74.A NH1 GLU 53.A OE2 no hydrogen 3.041 N/A VAL 75.A N LEU 71.A O no hydrogen 2.908 N/A ALA 76.A N GLY 72.A O no hydrogen 2.929 N/A GLU 77.A N LYS 73.A O no hydrogen 3.041 N/A LEU 78.A N ARG 74.A O no hydrogen 3.129 N/A ALA 79.A N VAL 75.A O no hydrogen 2.927 N/A ASP 80.A N ALA 76.A O no hydrogen 3.134 N/A ASP 80.A N GLU 77.A O no hydrogen 3.215 N/A SER 81.A N GLU 77.A O no hydrogen 3.367 N/A SER 81.A N LEU 78.A O no hydrogen 3.129 N/A SER 81.A OG ASP 83.A OD2 no hydrogen 3.428 N/A ASP 83.A N SER 81.A OG no hydrogen 3.117 N/A ASP 85.A N ASN 4.A O no hydrogen 2.797 N/A GLY 86.A N ASN 4.A O no hydrogen 3.180 N/A ILE 87.A N PRO 112.A O no hydrogen 2.895 N/A VAL 88.A N VAL 6.A O no hydrogen 2.865 N/A ILE 89.A N VAL 114.A O no hydrogen 2.788 N/A THR 90.A N LEU 8.A O no hydrogen 3.072 N/A HIS 91.A N VAL 116.A O no hydrogen 3.028 N/A HIS 91.A ND1 GLY 92.A O no hydrogen 2.720 N/A HIS 91.A NE2 THR 99.A OG1 no hydrogen 2.698 N/A THR 95.A N SER 60.A OG no hydrogen 2.994 N/A THR 95.A OG1 SER 60.A O no hydrogen 2.677 N/A LEU 96.A N THR 93.A O no hydrogen 3.347 N/A GLU 98.A N THR 95.A O no hydrogen 2.788 N/A THR 99.A N THR 95.A O no hydrogen 3.195 N/A THR 99.A OG1 HIS 91.A NE2 no hydrogen 2.698 N/A ALA 100.A N LEU 96.A O no hydrogen 2.971 N/A TYR 101.A OH TYR 330.A O no hydrogen 2.840 N/A PHE 102.A N GLU 98.A O no hydrogen 2.996 N/A LEU 103.A N THR 99.A O no hydrogen 2.917 N/A ASN 104.A N ALA 100.A O no hydrogen 3.089 N/A LEU 105.A N TYR 101.A O no hydrogen 3.132 N/A LEU 105.A N PHE 102.A O no hydrogen 3.018 N/A VAL 106.A N PHE 102.A O no hydrogen 3.202 N/A VAL 106.A N LEU 103.A O no hydrogen 3.376 N/A GLN 107.A N LEU 103.A O no hydrogen 3.080 N/A GLN 107.A NE2 GLY 72.A O no hydrogen 2.697 N/A LYS 108.A NZ VAL 202.A O no hydrogen 3.369 N/A LYS 108.A NZ SER 204.A O no hydrogen 2.691 N/A LYS 111.A N THR 109.A OG1 no hydrogen 3.257 N/A LYS 111.A NZ ALA 79.A O no hydrogen 3.062 N/A LYS 111.A NZ VAL 84.A O no hydrogen 2.706 N/A VAL 114.A N ILE 87.A O no hydrogen 2.725 N/A VAL 115.A N LEU 151.A O no hydrogen 2.789 N/A VAL 116.A N ILE 89.A O no hydrogen 2.955 N/A SER 118.A OG ARG 120.A O no hydrogen 2.924 N/A MET 119.A N ASP 128.A OD2 no hydrogen 2.815 N/A ARG 120.A N ASP 128.A OD1 no hydrogen 2.902 N/A ARG 120.A NH1 SER 126.A O no hydrogen 2.795 N/A ALA 124.A N PRO 121.A O no hydrogen 3.125 N/A MET 125.A N ALA 21.A O no hydrogen 2.748 N/A ASP 128.A N ASP 128.A OD1 no hydrogen 2.634 N/A ASN 132.A N ASP 128.A O no hydrogen 3.237 N/A ASN 132.A ND2 GLY 117.A O no hydrogen 2.894 N/A LEU 133.A N GLY 129.A O no hydrogen 2.873 N/A TYR 134.A N MET 130.A O no hydrogen 2.963 N/A ASN 135.A N LEU 131.A O no hydrogen 2.932 N/A ALA 136.A N ASN 132.A O no hydrogen 2.948 N/A VAL 137.A N LEU 133.A O no hydrogen 3.053 N/A ALA 138.A N TYR 134.A O no hydrogen 2.981 N/A VAL 139.A N ASN 135.A O no hydrogen 2.966 N/A ALA 140.A N ALA 136.A O no hydrogen 2.926 N/A SER 141.A N VAL 137.A O no hydrogen 2.794 N/A SER 141.A OG LEU 47.A O no hydrogen 3.267 N/A SER 141.A OG VAL 137.A O no hydrogen 2.935 N/A ASN 142.A N VAL 139.A O no hydrogen 3.243 N/A ASP 144.A N ASN 142.A OD1 no hydrogen 2.908 N/A SER 145.A N ASN 142.A O no hydrogen 2.874 N/A SER 145.A OG VAL 139.A O no hydrogen 2.417 N/A ARG 146.A N LYS 143.A O no hydrogen 3.204 N/A GLY 147.A N ASP 110.A O no hydrogen 2.968 N/A LYS 148.A NZ ASP 144.A O no hydrogen 2.709 N/A VAL 150.A N ASN 104.A OD1 no hydrogen 2.766 N/A LEU 151.A N ILE 113.A O no hydrogen 2.915 N/A VAL 152.A N GLN 159.A O no hydrogen 2.898 N/A GLU 157.A N MET 154.A O no hydrogen 3.099 N/A ILE 158.A N GLY 183.A O no hydrogen 2.826 N/A GLN 159.A N VAL 152.A O no hydrogen 2.916 N/A GLY 161.A N VAL 150.A O no hydrogen 2.910 N/A ARG 162.A NE TYR 330.A O no hydrogen 2.951 N/A ARG 162.A NE TYR 330.A OXT no hydrogen 3.323 N/A ARG 162.A NH1 ASP 163.A OD2 no hydrogen 2.915 N/A ARG 162.A NH1 ASP 300.A OD2 no hydrogen 2.950 N/A ARG 162.A NH2 ASP 300.A OD1 no hydrogen 2.779 N/A ARG 162.A NH2 TYR 330.A OXT no hydrogen 3.084 N/A VAL 164.A N SER 160.A O no hydrogen 3.059 N/A SER 165.A N LYS 176.A O no hydrogen 2.875 N/A SER 165.A OG GLU 97.A OE2 no hydrogen 2.842 N/A LYS 166.A N GLU 97.A OE1 no hydrogen 3.079 N/A LYS 166.A NZ THR 93.A OG1 no hydrogen 2.830 N/A LYS 166.A NZ ASP 94.A OD1 no hydrogen 3.031 N/A SER 167.A N ALA 174.A O no hydrogen 2.784 N/A SER 167.A OG SER 165.A O no hydrogen 3.214 N/A ILE 168.A N ALA 174.A O no hydrogen 3.151 N/A LYS 171.A N ASN 169.A O no hydrogen 2.727 N/A LYS 171.A NZ GLU 173.A OE2 no hydrogen 3.117 N/A LYS 176.A N SER 165.A O no hydrogen 3.021 N/A SER 177.A OG ASP 163.A OD1 no hydrogen 3.042 N/A TRP 179.A N SER 177.A OG no hydrogen 3.052 N/A TRP 179.A NE1 ASP 300.A OD2 no hydrogen 3.019 N/A GLY 180.A N SER 177.A O no hydrogen 3.156 N/A LEU 182.A N ILE 158.A O no hydrogen 2.724 N/A GLY 183.A N ILE 158.A O no hydrogen 3.252 N/A MET 184.A N TYR 191.A O no hydrogen 2.844 N/A VAL 185.A N ASP 156.A O no hydrogen 2.989 N/A VAL 186.A N LYS 189.A O no hydrogen 2.824 N/A LYS 189.A N VAL 186.A O no hydrogen 2.813 N/A TYR 191.A N MET 184.A O no hydrogen 2.797 N/A PHE 193.A N LEU 182.A O no hydrogen 2.757 N/A ARG 194.A N LEU 182.A O no hydrogen 2.939 N/A LYS 198.A NZ TRP 328.A O no hydrogen 3.332 N/A ARG 199.A N GLU 329.A O no hydrogen 3.106 N/A ARG 199.A NE ASN 203.A O no hydrogen 3.006 N/A ARG 199.A NH1 GLU 329.A OE1 no hydrogen 3.021 N/A ARG 199.A NH2 ASN 203.A O no hydrogen 2.740 N/A HIS 200.A N ASN 203.A OD1 no hydrogen 3.355 N/A HIS 200.A ND1 LYS 198.A O no hydrogen 2.678 N/A THR 201.A N ASN 104.A O no hydrogen 2.891 N/A ASN 203.A N HIS 200.A O no hydrogen 2.881 N/A SER 204.A N THR 201.A O no hydrogen 2.775 N/A SER 204.A OG LEU 105.A O no hydrogen 2.595 N/A GLU 205.A N TYR 330.A OH no hydrogen 2.920 N/A PHE 206.A N SER 204.A OG no hydrogen 3.213 N/A ILE 208.A N VAL 106.A O no hydrogen 2.952 N/A LYS 209.A N ASP 207.A OD1 no hydrogen 2.862 N/A LYS 209.A NZ ASP 80.A OD2 no hydrogen 2.785 N/A GLN 210.A N ASP 207.A O no hydrogen 2.805 N/A ILE 211.A N ILE 208.A O no hydrogen 3.046 N/A GLN 216.A NE2 ASP 218.A OD2 no hydrogen 3.142 N/A GLN 216.A NE2 ASN 237.A O no hydrogen 3.133 N/A ASP 218.A N ALA 241.A O no hydrogen 3.193 N/A ALA 220.A N ILE 243.A O no hydrogen 2.993 N/A SER 222.A N ALA 245.A O no hydrogen 3.100 N/A VAL 226.A N TYR 223.A O no hydrogen 3.186 N/A THR 227.A OG1 THR 229.A OG1 no hydrogen 3.070 N/A THR 229.A N THR 227.A OG1 no hydrogen 3.341 N/A THR 229.A OG1 THR 227.A OG1 no hydrogen 3.070 N/A TYR 231.A OH HIS 244.A ND1 no hydrogen 2.636 N/A LYS 232.A N ASP 228.A O no hydrogen 2.999 N/A ALA 233.A N THR 229.A O no hydrogen 3.002 N/A LEU 234.A N ALA 230.A O no hydrogen 2.963 N/A ALA 235.A N TYR 231.A O no hydrogen 3.046 N/A GLN 236.A N LYS 232.A O no hydrogen 2.852 N/A ASN 237.A N ALA 233.A O no hydrogen 3.125 N/A ASN 237.A N LEU 234.A O no hydrogen 3.158 N/A GLY 238.A N ALA 235.A O no hydrogen 3.058 N/A ALA 239.A N LEU 234.A O no hydrogen 3.186 N/A LYS 240.A N GLN 216.A O no hydrogen 2.741 N/A LEU 242.A N GLN 269.A O no hydrogen 2.758 N/A ILE 243.A N ASP 218.A O no hydrogen 2.889 N/A HIS 244.A N ILE 271.A O no hydrogen 2.855 N/A HIS 244.A ND1 TYR 231.A OH no hydrogen 2.636 N/A HIS 244.A NE2 SER 251.A O no hydrogen 2.800 N/A ALA 245.A N ALA 220.A O no hydrogen 2.865 N/A GLY 246.A N HIS 244.A O no hydrogen 2.989 N/A GLY 246.A N SER 273.A O no hydrogen 3.306 N/A ASN 249.A ND2 PHE 281.A O no hydrogen 3.210 N/A GLY 250.A N GLY 248.A O no hydrogen 2.836 N/A SER 251.A N THR 247.A O no hydrogen 2.981 N/A SER 251.A OG THR 247.A O no hydrogen 3.454 N/A ARG 255.A N SER 253.A OG no hydrogen 3.421 N/A VAL 256.A N SER 253.A O no hydrogen 2.924 N/A VAL 257.A N SER 253.A O no hydrogen 3.204 N/A LEU 260.A N VAL 256.A O no hydrogen 3.123 N/A GLN 261.A N VAL 257.A O no hydrogen 2.938 N/A GLN 261.A NE2 ASN 293.A OD1 no hydrogen 3.403 N/A GLN 262.A N PRO 258.A O no hydrogen 3.100 N/A LEU 263.A N ALA 259.A O no hydrogen 2.936 N/A ARG 264.A N LEU 260.A O no hydrogen 3.016 N/A ARG 264.A NE THR 268.A O no hydrogen 3.564 N/A LYS 265.A N GLN 261.A O no hydrogen 3.050 N/A ASN 266.A N GLN 262.A O no hydrogen 3.033 N/A GLY 267.A N ARG 264.A O no hydrogen 2.669 N/A THR 268.A N LEU 263.A O no hydrogen 2.968 N/A GLN 269.A N LYS 240.A O no hydrogen 3.030 N/A ILE 271.A N LEU 242.A O no hydrogen 2.911 N/A ARG 272.A N VAL 296.A O no hydrogen 2.753 N/A ARG 272.A NE ASP 290.A OD1 no hydrogen 2.785 N/A ARG 272.A NH1 ASN 249.A O no hydrogen 3.219 N/A ARG 272.A NH1 GLY 250.A O no hydrogen 2.887 N/A ARG 272.A NH2 ASP 290.A OD1 no hydrogen 3.540 N/A ARG 272.A NH2 ASP 290.A OD2 no hydrogen 2.927 N/A SER 273.A N HIS 244.A O no hydrogen 3.020 N/A SER 273.A OG LEU 301.A O no hydrogen 3.022 N/A SER 274.A N SER 273.A OG no hydrogen 2.716 N/A HIS 275.A N GLY 246.A O no hydrogen 2.832 N/A HIS 275.A ND1 HIS 275.A O no hydrogen 2.960 N/A HIS 275.A NE2 SER 222.A O no hydrogen 2.899 N/A VAL 276.A N SER 274.A OG no hydrogen 2.934 N/A ASN 277.A ND2 SER 274.A O no hydrogen 2.881 N/A VAL 282.A N HIS 299.A O no hydrogen 2.670 N/A LEU 283.A N ASN 249.A OD1 no hydrogen 2.827 N/A ARG 284.A NE ASP 291.A OD1 no hydrogen 3.116 N/A ARG 284.A NH1 TRP 295.A O no hydrogen 2.838 N/A ARG 284.A NH1 GLN 324.A OE1 no hydrogen 2.772 N/A ARG 284.A NH2 ASP 291.A OD1 no hydrogen 2.740 N/A ARG 284.A NH2 TRP 295.A O no hydrogen 3.503 N/A ASN 285.A N ASP 290.A OD2 no hydrogen 2.870 N/A ASN 285.A ND2 ASP 291.A OD2 no hydrogen 3.008 N/A ALA 286.A N LEU 283.A O no hydrogen 3.387 N/A ASP 290.A N GLN 288.A O no hydrogen 2.859 N/A ASP 291.A N ASN 285.A OD1 no hydrogen 3.041 N/A LYS 292.A NZ ASN 293.A OD1 no hydrogen 2.627 N/A ASN 293.A N PRO 289.A O no hydrogen 3.022 N/A ASP 294.A N ASP 291.A O no hydrogen 3.316 N/A TRP 295.A N ASP 290.A O no hydrogen 2.831 N/A VAL 296.A N ILE 270.A O no hydrogen 2.940 N/A VAL 297.A N GLN 324.A OE1 no hydrogen 2.798 N/A ALA 298.A N ARG 272.A O no hydrogen 2.869 N/A LEU 301.A N ALA 298.A O no hydrogen 3.019 N/A ASN 302.A ND2 GLU 97.A OE2 no hydrogen 3.056 N/A GLU 304.A N GLU 304.A OE1 no hydrogen 2.676 N/A LYS 305.A N ASN 302.A OD1 no hydrogen 2.888 N/A LYS 305.A NZ GLU 97.A O no hydrogen 2.638 N/A LYS 305.A NZ GLY 161.A O no hydrogen 3.188 N/A LYS 305.A NZ ARG 162.A O no hydrogen 2.972 N/A LYS 305.A NZ VAL 164.A O no hydrogen 2.895 N/A ALA 306.A N ASN 302.A O no hydrogen 2.885 N/A ARG 307.A N PRO 303.A O no hydrogen 2.995 N/A ARG 307.A NE VAL 217.A O no hydrogen 2.984 N/A ARG 307.A NH2 ASN 65.A OD1 no hydrogen 2.998 N/A ILE 308.A N GLU 304.A O no hydrogen 3.357 N/A LEU 309.A N LYS 305.A O no hydrogen 3.161 N/A ALA 310.A N ALA 306.A O no hydrogen 2.938 N/A MET 311.A N ARG 307.A O no hydrogen 3.009 N/A VAL 312.A N ILE 308.A O no hydrogen 3.165 N/A ALA 313.A N LEU 309.A O no hydrogen 2.839 N/A MET 314.A N ALA 310.A O no hydrogen 2.979 N/A THR 315.A N VAL 312.A O no hydrogen 3.173 N/A THR 315.A OG1 VAL 312.A O no hydrogen 2.759 N/A LYS 316.A N ALA 313.A O no hydrogen 3.114 N/A LYS 316.A NZ GLU 205.A OE2 no hydrogen 3.260 N/A THR 317.A N ALA 313.A O no hydrogen 2.975 N/A ASP 319.A N THR 317.A OG1 no hydrogen 3.027 N/A SER 320.A OG GLN 269.A OE1 no hydrogen 2.687 N/A SER 320.A OG ASP 294.A O no hydrogen 3.556 N/A SER 320.A OG ASP 294.A OD2 no hydrogen 3.356 N/A LYS 321.A N ASP 319.A OD1 no hydrogen 3.338 N/A LEU 323.A N ASP 319.A O no hydrogen 2.971 N/A GLN 324.A N SER 320.A O no hydrogen 2.816 N/A GLN 324.A NE2 VAL 297.A O no hydrogen 2.989 N/A GLN 324.A NE2 GLN 324.A O no hydrogen 3.069 N/A ARG 325.A N LYS 321.A O no hydrogen 2.981 N/A ARG 325.A NH1 GLU 205.A OE1 no hydrogen 2.692 N/A ARG 325.A NH1 GLU 205.A OE2 no hydrogen 3.504 N/A ARG 325.A NH1 GLU 329.A OE1 no hydrogen 3.215 N/A ARG 325.A NH2 GLU 205.A OE2 no hydrogen 2.867 N/A ARG 325.A NH2 GLU 322.A OE1 no hydrogen 3.074 N/A ILE 326.A N GLU 322.A O no hydrogen 2.946 N/A PHE 327.A N LEU 323.A O no hydrogen 3.036 N/A TRP 328.A N GLN 324.A O no hydrogen 2.939 N/A TRP 328.A N ARG 325.A O no hydrogen 2.939 N/A GLU 329.A N ILE 326.A O no hydrogen 3.226 N/A TYR 330.A N ILE 326.A O no hydrogen 3.092 N/A TYR 330.A OH GLU 205.A OE1 no hydrogen 2.755 N/A