Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4up3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 107.A O no hydrogen 3.051 N/A VAL 6.A N SER 110.A O no hydrogen 3.138 N/A ILE 7.A N VAL 29.A O no hydrogen 2.789 N/A ILE 8.A N ILE 112.A O no hydrogen 2.812 N/A GLY 9.A N TYR 31.A O no hydrogen 2.894 N/A SER 10.A OG GLU 32.A O no hydrogen 2.913 N/A HIS 15.A N GLY 11.A O no hydrogen 2.944 N/A HIS 15.A ND1 SER 74.A OG no hydrogen 2.832 N/A THR 16.A N PRO 12.A O no hydrogen 2.986 N/A THR 16.A OG1 PRO 12.A O no hydrogen 2.782 N/A ALA 17.A N ALA 13.A O no hydrogen 2.956 N/A ALA 18.A N ALA 14.A O no hydrogen 2.885 N/A ILE 19.A N HIS 15.A O no hydrogen 2.839 N/A TYR 20.A N THR 16.A O no hydrogen 3.135 N/A LEU 21.A N ALA 17.A O no hydrogen 2.878 N/A GLY 22.A N ALA 18.A O no hydrogen 2.811 N/A ARG 23.A N ILE 19.A O no hydrogen 2.909 N/A SER 24.A N TYR 20.A O no hydrogen 3.049 N/A SER 24.A OG TYR 20.A O no hydrogen 3.261 N/A SER 24.A OG GLU 306.A OE1 no hydrogen 2.658 N/A SER 24.A OG GLU 306.A OE2 no hydrogen 2.868 N/A SER 25.A N GLY 22.A O no hydrogen 2.882 N/A LEU 26.A N LEU 21.A O no hydrogen 3.070 N/A VAL 29.A N VAL 5.A O no hydrogen 3.243 N/A MET 30.A N THR 80.A O no hydrogen 2.836 N/A TYR 31.A N ILE 7.A O no hydrogen 2.854 N/A GLU 32.A N ILE 82.A O no hydrogen 2.956 N/A GLY 33.A N GLU 84.A O no hydrogen 2.987 N/A PHE 34.A N THR 85.A OG1 no hydrogen 2.995 N/A GLY 38.A N MET 35.A O no hydrogen 2.953 N/A VAL 39.A N ALA 36.A O no hydrogen 3.144 N/A GLY 42.A N SER 10.A OG no hydrogen 2.997 N/A GLY 43.A N ALA 40.A O no hydrogen 2.968 N/A THR 46.A N GLY 43.A O no hydrogen 2.908 N/A THR 46.A OG1 GLY 43.A O no hydrogen 2.699 N/A THR 47.A N GLN 44.A O no hydrogen 2.921 N/A THR 47.A OG1 GLN 44.A O no hydrogen 2.727 N/A THR 48.A N LEU 45.A O no hydrogen 3.450 N/A ILE 51.A N ILE 61.A O no hydrogen 2.771 N/A ASN 53.A ND2 GLN 290.A OE1 no hydrogen 3.682 N/A GLY 60.A N PHE 57.A O no hydrogen 3.005 N/A ILE 61.A N ILE 51.A O no hydrogen 3.014 N/A GLY 63.A N THR 49.A O no hydrogen 2.671 N/A ASN 64.A ND2 THR 46.A O no hydrogen 3.099 N/A GLU 65.A N ASP 62.A OD2 no hydrogen 3.079 N/A LEU 66.A N ASP 62.A O no hydrogen 2.904 N/A MET 67.A N GLY 63.A O no hydrogen 3.002 N/A MET 68.A N.A ASN 64.A O no hydrogen 2.862 N/A MET 68.A N.B ASN 64.A O no hydrogen 2.854 N/A ASN 69.A N GLU 65.A O no hydrogen 2.865 N/A MET 70.A N LEU 66.A O no hydrogen 2.843 N/A ARG 71.A N MET 67.A O no hydrogen 2.958 N/A ARG 71.A NE GLU 32.A OE1 no hydrogen 2.994 N/A ARG 71.A NH2 GLU 32.A OE2 no hydrogen 3.049 N/A THR 72.A N MET 68.A O.A no hydrogen 2.944 N/A THR 72.A N MET 68.A O.B no hydrogen 2.978 N/A THR 72.A OG1 MET 68.A O.A no hydrogen 3.017 N/A THR 72.A OG1 MET 68.A O.B no hydrogen 3.000 N/A GLN 73.A N ASN 69.A O no hydrogen 2.998 N/A SER 74.A N MET 70.A O no hydrogen 2.906 N/A SER 74.A OG HIS 15.A ND1 no hydrogen 2.832 N/A SER 74.A OG HIS 15.A O no hydrogen 3.384 N/A SER 74.A OG MET 70.A O no hydrogen 3.181 N/A GLU 75.A N ARG 71.A O no hydrogen 3.025 N/A LYS 76.A N THR 72.A O no hydrogen 2.972 N/A TYR 77.A N GLN 73.A O no hydrogen 3.171 N/A GLY 78.A N GLU 75.A O no hydrogen 3.060 N/A THR 79.A N SER 74.A O no hydrogen 3.052 N/A THR 79.A OG1 SER 74.A O no hydrogen 2.959 N/A THR 80.A N PRO 28.A O no hydrogen 2.973 N/A ILE 82.A N MET 30.A O no hydrogen 2.765 N/A THR 83.A OG1 GLU 32.A OE2 no hydrogen 2.581 N/A GLU 84.A N ILE 82.A O no hydrogen 2.932 N/A ASP 87.A N PHE 99.A O no hydrogen 2.697 N/A HIS 88.A N PHE 99.A O no hydrogen 3.406 N/A HIS 88.A ND1 ASP 87.A OD2 no hydrogen 2.695 N/A ASP 90.A N LYS 97.A O no hydrogen 2.779 N/A SER 92.A N ASP 90.A OD1 no hydrogen 2.866 N/A SER 92.A OG ASP 90.A OD1 no hydrogen 2.609 N/A SER 92.A OG ASP 90.A OD2 no hydrogen 3.554 N/A PHE 96.A N THR 108.A O no hydrogen 2.823 N/A LYS 97.A N ASP 90.A O no hydrogen 3.065 N/A LYS 97.A NZ ASP 90.A OD2 no hydrogen 3.060 N/A LEU 98.A N VAL 106.A O no hydrogen 2.798 N/A PHE 99.A N HIS 88.A O no hydrogen 2.873 N/A THR 100.A N LYS 104.A O no hydrogen 2.922 N/A GLU 101.A N.A THR 85.A O no hydrogen 2.896 N/A GLU 101.A N.B THR 85.A O no hydrogen 2.911 N/A GLY 103.A N THR 100.A O no hydrogen 2.859 N/A LYS 104.A N THR 100.A OG1 no hydrogen 3.053 N/A VAL 106.A N LEU 98.A O no hydrogen 2.716 N/A THR 108.A N PHE 96.A O no hydrogen 2.916 N/A THR 108.A OG1 HIS 3.A O no hydrogen 3.397 N/A THR 108.A OG1 SER 110.A O no hydrogen 2.785 N/A LYS 109.A N HIS 3.A O no hydrogen 2.871 N/A LYS 109.A NZ HIS 312.A O no hydrogen 2.892 N/A SER 110.A OG ASP 4.A O no hydrogen 2.800 N/A VAL 111.A N GLY 276.A O no hydrogen 3.063 N/A ILE 112.A N VAL 6.A O no hydrogen 2.869 N/A ILE 113.A N PHE 278.A O no hydrogen 2.734 N/A ALA 114.A N ILE 8.A O no hydrogen 2.769 N/A THR 115.A OG1 ASN 249.A O no hydrogen 2.800 N/A THR 118.A N SER 247.A O.A no hydrogen 2.806 N/A THR 118.A N SER 247.A O.B no hydrogen 2.768 N/A THR 118.A OG1 GLY 37.A O no hydrogen 2.781 N/A THR 118.A OG1 ALA 119.A O no hydrogen 3.560 N/A LYS 120.A N GLY 245.A O no hydrogen 2.847 N/A ARG 121.A NE GLU 127.A OE2 no hydrogen 3.214 N/A MET 122.A N TYR 242.A OH no hydrogen 3.408 N/A HIS 123.A N GLU 127.A OE2 no hydrogen 3.014 N/A HIS 123.A ND1 ASP 128.A OD1 no hydrogen 2.805 N/A VAL 124.A N GLU 127.A OE1 no hydrogen 3.153 N/A GLU 127.A N VAL 124.A O no hydrogen 2.901 N/A LYS 129.A NZ GLY 216.A O no hydrogen 2.703 N/A TYR 130.A N GLY 126.A O no hydrogen 3.316 N/A TRP 131.A N ASP 128.A O no hydrogen 3.411 N/A GLN 132.A N VAL 135.A O no hydrogen 2.972 N/A ASN 133.A N TYR 130.A O no hydrogen 2.896 N/A VAL 135.A N TYR 130.A O no hydrogen 2.953 N/A SER 136.A N LEU 240.A O no hydrogen 2.805 N/A SER 136.A OG SER 138.A O no hydrogen 3.282 N/A SER 136.A OG ASP 142.A OD2 no hydrogen 2.561 N/A SER 138.A N SER 136.A OG no hydrogen 3.043 N/A ALA 139.A N GLU 165.A OE2 no hydrogen 2.730 N/A CYS 141.A N.A SER 138.A OG no hydrogen 3.000 N/A CYS 141.A N.B SER 138.A OG no hydrogen 2.952 N/A CYS 141.A SG.A THR 46.A O no hydrogen 3.364 N/A CYS 141.A SG.A SER 138.A OG no hydrogen 3.467 N/A CYS 141.A SG.B ASP 142.A OD1 no hydrogen 3.189 N/A ASP 142.A N SER 138.A O no hydrogen 2.862 N/A GLY 143.A N ALA 139.A O no hydrogen 2.816 N/A VAL 145.A N ASP 142.A O no hydrogen 3.073 N/A PHE 148.A N VAL 145.A O no hydrogen 3.043 N/A ARG 149.A N PRO 146.A O no hydrogen 3.151 N/A ARG 149.A NH2 ALA 144.A O no hydrogen 2.877 N/A ASN 150.A N TYR 172.A O no hydrogen 2.826 N/A LYS 151.A N PHE 148.A O no hydrogen 3.182 N/A LEU 153.A N LYS 175.A O no hydrogen 2.985 N/A MET 154.A N GLY 239.A O no hydrogen 2.870 N/A VAL 155.A N ILE 177.A O no hydrogen 2.764 N/A VAL 156.A N PHE 241.A O no hydrogen 2.890 N/A GLY 157.A N LEU 179.A O no hydrogen 2.977 N/A MET 163.A N GLY 159.A O no hydrogen 3.090 N/A GLU 164.A N ASP 160.A O no hydrogen 3.009 N/A GLU 165.A N ALA 161.A O no hydrogen 2.849 N/A ALA 166.A N ALA 162.A O no hydrogen 2.894 N/A LEU 167.A N MET 163.A O no hydrogen 3.015 N/A HIS 168.A N GLU 164.A O no hydrogen 2.920 N/A LEU 169.A N GLU 165.A O no hydrogen 2.943 N/A THR 170.A N ALA 166.A O no hydrogen 3.186 N/A THR 170.A N LEU 167.A O no hydrogen 3.249 N/A THR 170.A OG1 LEU 167.A O no hydrogen 2.779 N/A THR 170.A OG1 HIS 198.A NE2 no hydrogen 3.345 N/A LYS 171.A N.A HIS 168.A O no hydrogen 3.145 N/A LYS 171.A N.B HIS 168.A O no hydrogen 3.183 N/A TYR 172.A N LEU 169.A O no hydrogen 3.016 N/A GLY 173.A N LEU 169.A O no hydrogen 2.890 N/A SER 174.A N LYS 151.A O no hydrogen 2.856 N/A VAL 176.A N LYS 200.A O no hydrogen 2.800 N/A ILE 177.A N LEU 153.A O no hydrogen 2.763 N/A ILE 178.A N GLU 202.A O.A no hydrogen 2.884 N/A ILE 178.A N GLU 202.A O.B no hydrogen 2.794 N/A LEU 179.A N VAL 155.A O no hydrogen 2.793 N/A HIS 180.A N ILE 204.A O no hydrogen 3.010 N/A HIS 180.A NE2 ALA 184.A O no hydrogen 2.841 N/A ARG 186.A N GLY 158.A O no hydrogen 2.850 N/A ALA 187.A N GLY 158.A O no hydrogen 3.293 N/A SER 188.A N ASP 160.A OD1 no hydrogen 2.714 N/A SER 188.A OG ASP 160.A OD1 no hydrogen 3.499 N/A MET 191.A N SER 188.A OG no hydrogen 3.204 N/A GLN 192.A N SER 188.A O no hydrogen 2.948 N/A GLU 193.A N LYS 189.A O no hydrogen 2.994 N/A ARG 194.A N THR 190.A O no hydrogen 3.286 N/A VAL 195.A N MET 191.A O no hydrogen 3.114 N/A LEU 196.A N GLN 192.A O no hydrogen 2.779 N/A ASN 197.A N GLU 193.A O no hydrogen 3.180 N/A ASN 197.A ND2 GLU 193.A OE2 no hydrogen 2.695 N/A HIS 198.A N VAL 195.A O no hydrogen 3.129 N/A LYS 200.A N HIS 198.A ND1 no hydrogen 2.968 N/A LYS 200.A NZ THR 170.A O no hydrogen 2.925 N/A LYS 200.A NZ GLY 173.A O no hydrogen 2.750 N/A ILE 201.A N HIS 198.A O no hydrogen 3.206 N/A GLU 202.A N.A VAL 176.A O no hydrogen 2.884 N/A GLU 202.A N.B VAL 176.A O no hydrogen 2.828 N/A ILE 204.A N ILE 178.A O no hydrogen 2.845 N/A ASN 206.A N ARG 182.A O no hydrogen 2.938 N/A SER 207.A N HIS 180.A O no hydrogen 2.948 N/A SER 207.A OG TRP 205.A O no hydrogen 2.781 N/A GLU 208.A N HIS 225.A O no hydrogen 2.894 N/A VAL 210.A N LYS 223.A O no hydrogen 2.805 N/A GLU 211.A N LYS 223.A O no hydrogen 3.313 N/A LEU 212.A N PRO 125.A O no hydrogen 2.858 N/A GLU 213.A N GLY 221.A O no hydrogen 2.879 N/A ASP 215.A N LEU 218.A O no hydrogen 3.009 N/A GLY 216.A N TYR 130.A OH no hydrogen 3.075 N/A ASP 217.A N ASP 215.A OD1 no hydrogen 2.964 N/A LEU 218.A N ASP 215.A OD1 no hydrogen 2.899 N/A ASN 220.A N GLU 213.A O no hydrogen 2.805 N/A GLY 221.A N GLU 213.A O no hydrogen 3.123 N/A ALA 222.A N VAL 235.A O no hydrogen 2.869 N/A LYS 223.A N GLU 211.A O no hydrogen 2.804 N/A ILE 224.A N LYS 233.A O no hydrogen 2.864 N/A HIS 225.A N GLU 208.A O no hydrogen 2.871 N/A ASN 226.A N GLU 231.A O no hydrogen 2.878 N/A LEU 227.A N.A ASN 206.A O no hydrogen 2.796 N/A LEU 227.A N.B ASN 206.A O no hydrogen 2.823 N/A VAL 228.A N ASN 226.A OD1 no hydrogen 2.894 N/A SER 229.A N ASN 226.A OD1 no hydrogen 2.913 N/A GLY 230.A N ASN 226.A O no hydrogen 2.756 N/A GLU 231.A N SER 229.A OG no hydrogen 3.238 N/A LYS 233.A N ILE 224.A O no hydrogen 3.087 N/A VAL 235.A N ALA 222.A O no hydrogen 2.893 N/A VAL 237.A N ASN 220.A O no hydrogen 3.135 N/A ALA 238.A N VAL 152.A O no hydrogen 2.739 N/A LEU 240.A N GLY 134.A O no hydrogen 2.902 N/A PHE 241.A N MET 154.A O no hydrogen 2.785 N/A TYR 242.A N SER 136.A O no hydrogen 3.001 N/A TYR 242.A OH GLU 127.A OE1 no hydrogen 2.478 N/A ALA 243.A N VAL 156.A O no hydrogen 2.868 N/A SER 247.A N.A THR 118.A O no hydrogen 2.835 N/A SER 247.A N.B THR 118.A O no hydrogen 2.853 N/A ASN 249.A N GLY 116.A O no hydrogen 2.832 N/A SER 250.A N PRO 248.A O no hydrogen 2.965 N/A SER 250.A OG GLY 263.A O no hydrogen 2.550 N/A LEU 253.A N SER 250.A O no hydrogen 3.048 N/A GLY 254.A N LYS 251.A O no hydrogen 2.955 N/A GLN 256.A N LEU 253.A O no hydrogen 2.883 N/A LYS 258.A N SER 273.A OG no hydrogen 2.922 N/A ALA 260.A N TYR 264.A O no hydrogen 2.862 N/A GLY 263.A N ALA 260.A O no hydrogen 2.942 N/A ILE 265.A N VAL 283.A O no hydrogen 3.034 N/A LEU 266.A N LYS 258.A O no hydrogen 3.006 N/A THR 267.A OG1 GLY 269.A O no hydrogen 3.245 N/A THR 267.A OG1 GLN 284.A OE1 no hydrogen 2.925 N/A GLU 268.A N LYS 271.A O no hydrogen 2.937 N/A LYS 271.A N GLU 268.A O no hydrogen 2.985 N/A THR 272.A N VAL 277.A O no hydrogen 3.163 N/A THR 272.A OG1 VAL 274.A O no hydrogen 3.257 N/A THR 272.A OG1 VAL 277.A O no hydrogen 2.761 N/A VAL 274.A N THR 272.A OG1 no hydrogen 3.032 N/A VAL 277.A N VAL 274.A O no hydrogen 2.979 N/A PHE 278.A N VAL 111.A O no hydrogen 2.827 N/A ALA 279.A N PRO 270.A O no hydrogen 2.883 N/A CYS 280.A N ILE 113.A O no hydrogen 3.037 N/A CYS 280.A SG ILE 113.A O no hydrogen 3.963 N/A GLY 281.A N SER 297.A OG no hydrogen 3.013 N/A GLN 284.A N GLY 281.A O no hydrogen 3.013 N/A GLN 284.A NE2 GLY 281.A O no hydrogen 3.011 N/A ASP 285.A N ASP 282.A O no hydrogen 3.386 N/A ARG 286.A NE ASP 262.A OD2 no hydrogen 2.784 N/A ARG 286.A NH2 ASP 262.A OD1 no hydrogen 2.872 N/A ARG 286.A NH2 ASP 262.A OD2 no hydrogen 3.386 N/A VAL 287.A N ASP 285.A OD1 no hydrogen 2.841 N/A TYR 288.A N ASP 285.A OD1 no hydrogen 2.921 N/A ARG 289.A N ASP 285.A OD2 no hydrogen 2.787 N/A ARG 289.A NE ARG 286.A O no hydrogen 3.366 N/A ARG 289.A NH2 ARG 286.A O no hydrogen 3.412 N/A GLN 290.A NE2 TYR 288.A O no hydrogen 3.195 N/A ALA 294.A N GLN 290.A O no hydrogen 2.909 N/A ALA 295.A N ALA 291.A O no hydrogen 2.836 N/A GLY 296.A N ILE 292.A O no hydrogen 3.048 N/A SER 297.A N VAL 293.A O no hydrogen 2.879 N/A GLY 298.A N ALA 294.A O no hydrogen 2.933 N/A CYS 299.A N ALA 295.A O no hydrogen 3.077 N/A MET 300.A N GLY 296.A O no hydrogen 3.005 N/A ALA 301.A N SER 297.A O no hydrogen 2.953 N/A ALA 302.A N GLY 298.A O no hydrogen 2.988 N/A LEU 303.A N CYS 299.A O no hydrogen 2.886 N/A SER 304.A N MET 300.A O no hydrogen 2.949 N/A SER 304.A OG.A MET 300.A O no hydrogen 3.054 N/A CYS 305.A N ALA 301.A O no hydrogen 2.821 N/A CYS 305.A SG SER 110.A OG no hydrogen 3.149 N/A GLU 306.A N ALA 302.A O no hydrogen 2.878 N/A LYS 307.A N LEU 303.A O no hydrogen 3.068 N/A TRP 308.A N SER 304.A O no hydrogen 2.968 N/A TRP 308.A NE1 ASP 275.A OD1.B no hydrogen 3.081 N/A TRP 308.A NE1 ASP 275.A OD2.B no hydrogen 3.059 N/A LEU 309.A N CYS 305.A O no hydrogen 2.886 N/A GLN 310.A N GLU 306.A O no hydrogen 3.217 N/A GLN 310.A N LYS 307.A O no hydrogen 3.130 N/A THR 311.A N TRP 308.A O no hydrogen 3.176 N/A THR 311.A OG1 TRP 308.A O no hydrogen 3.356 N/A THR 311.A OG1 HIS 312.A ND1 no hydrogen 3.001 N/A HIS 312.A N LEU 309.A O no hydrogen 3.415 N/A HIS 312.A ND1 TRP 308.A O no hydrogen 2.686 N/A