Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2iat_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ARG 260.A O no hydrogen 2.982 N/A THR 9.A N LYS 292.A O no hydrogen 2.901 N/A LYS 10.A NZ GLU 13.A OE2 no hydrogen 3.277 N/A VAL 11.A N VAL 290.A O no hydrogen 2.845 N/A THR 12.A N VAL 290.A O no hydrogen 3.367 N/A THR 12.A OG1 GLY 54.A O no hydrogen 3.140 N/A ILE 15.A N ASN 288.A O no hydrogen 2.815 N/A GLY 17.A N ASN 288.A OD1 no hydrogen 2.846 N/A ALA 18.A N ILE 15.A O no hydrogen 2.776 N/A GLU 19.A N VAL 32.A O no hydrogen 2.895 N/A GLY 20.A N GLU 19.A OE1 no hydrogen 2.736 N/A VAL 22.A N TYR 30.A O no hydrogen 2.935 N/A ASP 24.A N ASP 28.A O no hydrogen 2.915 N/A LYS 25.A NZ ARG 78.A O no hydrogen 2.592 N/A ASN 26.A N ASP 24.A OD1 no hydrogen 2.916 N/A GLY 27.A N ASP 24.A O no hydrogen 3.138 N/A ASP 28.A N ASP 24.A OD1 no hydrogen 2.864 N/A TYR 30.A N VAL 22.A O no hydrogen 2.718 N/A TYR 30.A OH ASP 24.A OD2 no hydrogen 2.767 N/A ILE 31.A N LEU 47.A O no hydrogen 2.829 N/A VAL 32.A N GLU 19.A O no hydrogen 2.879 N/A ALA 33.A N GLU 45.A O no hydrogen 2.726 N/A GLU 35.A N PRO 16.A O no hydrogen 3.200 N/A VAL 38.A N LYS 41.A O no hydrogen 2.867 N/A LYS 41.A N VAL 38.A O no hydrogen 3.000 N/A ALA 43.A N VAL 36.A O no hydrogen 2.933 N/A GLY 44.A N GLY 69.A O no hydrogen 2.861 N/A GLU 45.A N ALA 33.A O no hydrogen 2.983 N/A ILE 46.A N CYS 60.A O no hydrogen 2.794 N/A LEU 47.A N ILE 31.A O no hydrogen 2.750 N/A ARG 48.A N THR 57.A O no hydrogen 2.789 N/A ARG 48.A NH2 TYR 30.A OH no hydrogen 2.660 N/A ILE 49.A N PHE 29.A O no hydrogen 2.992 N/A ASP 50.A N LYS 55.A O no hydrogen 2.908 N/A THR 53.A OG1 ASP 50.A OD1 no hydrogen 2.743 N/A GLY 54.A N ASP 50.A O no hydrogen 2.514 N/A LYS 55.A N THR 53.A OG1 no hydrogen 3.306 N/A LYS 56.A NZ GLU 13.A O no hydrogen 2.749 N/A LYS 56.A NZ ASP 14.A O no hydrogen 3.130 N/A THR 57.A N ARG 48.A O no hydrogen 3.009 N/A ILE 59.A N ILE 46.A O no hydrogen 2.944 N/A CYS 60.A N ILE 46.A O no hydrogen 3.324 N/A CYS 60.A SG GLY 99.A O no hydrogen 3.331 N/A LYS 61.A NZ ALA 43.A O no hydrogen 3.041 N/A LYS 61.A NZ GLU 45.A OE1 no hydrogen 2.751 N/A VAL 64.A N TYR 67.A O no hydrogen 2.858 N/A GLY 66.A N GLU 63.A OE1 no hydrogen 3.034 N/A TYR 67.A N VAL 64.A O no hydrogen 3.005 N/A GLY 69.A N PRO 62.A O no hydrogen 2.964 N/A ILE 70.A N ASP 87.A OD2 no hydrogen 2.724 N/A ALA 72.A N ALA 86.A O no hydrogen 2.843 N/A GLY 73.A N ALA 86.A O no hydrogen 3.437 N/A CYS 74.A SG GLY 20.A O no hydrogen 3.346 N/A GLN 75.A N PHE 84.A O no hydrogen 3.094 N/A CYS 76.A SG ASP 77.A O no hydrogen 3.441 N/A CYS 76.A SG GLN 82.A O no hydrogen 3.711 N/A ASP 77.A N GLN 82.A O no hydrogen 2.841 N/A ARG 78.A NE ASP 79.A OD1 no hydrogen 2.829 N/A ARG 78.A NH2 ASP 79.A OD1 no hydrogen 3.066 N/A ARG 78.A NH2 ASP 79.A OD2 no hydrogen 3.561 N/A GLN 82.A N ALA 80.A O no hydrogen 2.903 N/A GLN 82.A NE2 ASP 77.A OD1 no hydrogen 2.888 N/A LEU 83.A N VAL 95.A O no hydrogen 2.920 N/A PHE 84.A N GLN 75.A O no hydrogen 2.824 N/A VAL 85.A N LEU 93.A O no hydrogen 2.748 N/A ALA 86.A N GLY 73.A O no hydrogen 2.921 N/A ASP 87.A N GLY 91.A O no hydrogen 2.746 N/A MET 88.A N ILE 70.A O no hydrogen 2.975 N/A ARG 89.A N ASP 87.A OD2 no hydrogen 2.880 N/A ARG 89.A NH1 ALA 140.A O no hydrogen 2.796 N/A ARG 89.A NH2 ALA 140.A O no hydrogen 2.791 N/A LEU 90.A N ASP 87.A OD2 no hydrogen 2.881 N/A GLY 91.A N ASP 87.A O no hydrogen 2.973 N/A LEU 93.A N VAL 85.A O no hydrogen 2.860 N/A VAL 94.A N GLU 102.A O no hydrogen 3.117 N/A VAL 95.A N LEU 83.A O no hydrogen 2.779 N/A GLN 96.A N THR 100.A O no hydrogen 2.725 N/A GLY 99.A N GLN 96.A O no hydrogen 2.783 N/A THR 100.A N ASP 98.A OD1 no hydrogen 3.032 N/A THR 100.A OG1 ASP 98.A OD1 no hydrogen 2.987 N/A GLU 102.A N VAL 94.A O no hydrogen 3.029 N/A ILE 104.A N LEU 92.A O no hydrogen 2.835 N/A LYS 106.A NZ GLU 103.A OE2 no hydrogen 3.348 N/A ASP 108.A N ARG 112.A O no hydrogen 2.745 N/A SER 109.A N MET 162.A O no hydrogen 2.648 N/A SER 109.A OG MET 162.A O no hydrogen 3.449 N/A GLU 110.A N ASP 108.A OD1 no hydrogen 2.933 N/A GLY 111.A N ASP 108.A O no hydrogen 2.933 N/A ARG 112.A N ASP 108.A OD1 no hydrogen 2.998 N/A ARG 112.A NE ASP 108.A OD2 no hydrogen 3.277 N/A ARG 112.A NH2 ASP 108.A OD2 no hydrogen 3.396 N/A ARG 113.A NH1 LYS 106.A O no hydrogen 2.606 N/A MET 114.A N LYS 106.A O no hydrogen 2.787 N/A GLN 115.A NE2 ALA 134.A O no hydrogen 2.769 N/A GLN 115.A NE2 PHE 150.A O no hydrogen 2.977 N/A GLY 116.A N GLY 135.A O no hydrogen 2.851 N/A CYS 117.A N ASP 87.A O no hydrogen 2.820 N/A CYS 117.A SG GLN 115.A O no hydrogen 3.453 N/A ASN 118.A N THR 131.A O no hydrogen 2.859 N/A ASP 119.A N THR 131.A OG1 no hydrogen 3.053 N/A CYS 120.A N ASP 119.A OD1 no hydrogen 2.925 N/A CYS 120.A SG PHE 84.A O no hydrogen 3.956 N/A ALA 121.A N TRP 129.A O no hydrogen 2.747 N/A ASP 123.A N ASN 127.A O no hydrogen 2.912 N/A TYR 124.A OH LYS 301.A O no hydrogen 2.624 N/A GLU 125.A N ASP 123.A OD2 no hydrogen 2.933 N/A GLY 126.A N ASP 123.A O no hydrogen 3.038 N/A ASN 127.A N ASP 123.A OD2 no hydrogen 2.838 N/A LEU 128.A N PHE 156.A O no hydrogen 2.982 N/A TRP 129.A N ALA 121.A O no hydrogen 2.901 N/A TRP 129.A NE1 ASP 123.A OD1 no hydrogen 2.738 N/A ILE 130.A N TYR 154.A O no hydrogen 2.780 N/A THR 131.A N ASP 119.A O no hydrogen 2.841 N/A THR 131.A OG1 ASP 119.A O no hydrogen 3.120 N/A THR 131.A OG1 ASN 173.A O no hydrogen 2.606 N/A ALA 132.A N SER 152.A O no hydrogen 2.724 N/A GLY 135.A N THR 143.A O no hydrogen 2.826 N/A VAL 137.A N MET 114.A O no hydrogen 2.893 N/A ALA 138.A N ARG 89.A O no hydrogen 2.805 N/A ALA 140.A N VAL 137.A O no hydrogen 3.064 N/A SER 145.A N PRO 133.A O no hydrogen 2.699 N/A SER 145.A OG PRO 133.A O no hydrogen 2.702 N/A PHE 150.A N GLU 148.A O no hydrogen 3.186 N/A GLY 151.A N PHE 169.A O no hydrogen 2.914 N/A SER 152.A N ALA 132.A O no hydrogen 2.877 N/A SER 152.A OG GLN 115.A OE1 no hydrogen 2.686 N/A ILE 153.A N ASP 166.A O no hydrogen 2.928 N/A TYR 154.A N ILE 130.A O no hydrogen 2.854 N/A CYS 155.A N ILE 163.A O no hydrogen 2.848 N/A CYS 155.A SG LEU 128.A O no hydrogen 4.047 N/A PHE 156.A N LEU 128.A O no hydrogen 2.799 N/A THR 157.A N GLN 161.A O no hydrogen 2.930 N/A THR 157.A OG1 ASP 159.A OD2 no hydrogen 2.727 N/A THR 157.A OG1 GLN 161.A O no hydrogen 3.421 N/A THR 158.A N ASN 127.A OD1 no hydrogen 3.054 N/A GLY 160.A N THR 157.A O no hydrogen 2.914 N/A GLN 161.A N THR 157.A OG1 no hydrogen 3.039 N/A GLN 161.A NE2 ASP 159.A O no hydrogen 2.770 N/A ILE 163.A N CYS 155.A O no hydrogen 3.116 N/A GLN 164.A NE2 TYR 154.A OH no hydrogen 3.456 N/A VAL 165.A N ILE 153.A O no hydrogen 2.834 N/A ASP 166.A N ILE 153.A O no hydrogen 3.437 N/A THR 167.A N ASP 166.A OD1 no hydrogen 2.663 N/A PHE 169.A N GLY 151.A O no hydrogen 2.918 N/A GLN 170.A N GLU 192.A OE1 no hydrogen 2.859 N/A GLN 170.A NE2 MET 146.A O no hydrogen 3.054 N/A PHE 171.A N SER 145.A OG no hydrogen 3.032 N/A ASN 173.A N ALA 191.A O no hydrogen 2.759 N/A ASN 173.A ND2 THR 193.A OG1 no hydrogen 2.875 N/A ALA 176.A N ILE 189.A O no hydrogen 2.952 N/A ARG 178.A N GLN 187.A O no hydrogen 2.751 N/A ARG 178.A NE GLN 187.A OE1 no hydrogen 2.620 N/A ARG 178.A NH1 ASN 235.A O no hydrogen 3.231 N/A ARG 178.A NH2 GLN 187.A OE1 no hydrogen 3.464 N/A MET 180.A N ARG 184.A O no hydrogen 2.780 N/A GLY 183.A N MET 180.A O no hydrogen 2.861 N/A ARG 184.A N ASP 182.A OD1 no hydrogen 3.150 N/A TYR 186.A N ARG 178.A O no hydrogen 3.002 N/A GLN 187.A N ARG 178.A O no hydrogen 3.426 N/A LEU 188.A N TYR 201.A O no hydrogen 3.003 N/A ILE 189.A N ALA 176.A O no hydrogen 2.865 N/A VAL 190.A N TRP 199.A O no hydrogen 2.736 N/A ALA 191.A N GLY 174.A O no hydrogen 2.890 N/A GLU 192.A N LYS 197.A O no hydrogen 3.047 N/A THR 193.A N PHE 171.A O no hydrogen 3.310 N/A THR 193.A OG1 ALA 226.A O no hydrogen 2.846 N/A THR 195.A OG1 GLU 192.A O no hydrogen 3.212 N/A THR 195.A OG1 GLU 192.A OE2 no hydrogen 2.561 N/A LYS 196.A N THR 193.A O no hydrogen 3.077 N/A LYS 196.A NZ HIS 222.A O no hydrogen 2.861 N/A LYS 196.A NZ GLY 224.A O no hydrogen 2.704 N/A LEU 198.A N GLY 216.A O no hydrogen 2.843 N/A TRP 199.A N VAL 190.A O no hydrogen 2.687 N/A TRP 199.A NE1 GLU 192.A OE2 no hydrogen 2.890 N/A SER 200.A N LYS 213.A O no hydrogen 2.861 N/A TYR 201.A N LEU 188.A O no hydrogen 3.008 N/A TYR 201.A OH ASP 166.A OD2 no hydrogen 2.713 N/A ASP 202.A N GLU 210.A O no hydrogen 2.869 N/A ILE 203.A N TYR 186.A O no hydrogen 2.929 N/A LYS 204.A N LYS 208.A O no hydrogen 2.721 N/A LYS 204.A NZ GLU 210.A OE1 no hydrogen 2.697 N/A LYS 208.A N GLY 205.A O no hydrogen 2.841 N/A GLU 210.A N ASP 202.A O no hydrogen 2.995 N/A LYS 213.A N SER 200.A O no hydrogen 2.889 N/A TRP 215.A N LEU 198.A O no hydrogen 2.838 N/A GLY 216.A N LEU 198.A O no hydrogen 3.154 N/A HIS 217.A N GLY 255.A O no hydrogen 2.829 N/A ILE 218.A N LYS 196.A O no hydrogen 2.776 N/A GLY 225.A N LEU 242.A O no hydrogen 3.125 N/A ASP 227.A N ALA 240.A O no hydrogen 2.796 N/A GLY 228.A N SER 269.A O no hydrogen 2.757 N/A ASP 230.A N LEU 238.A O no hydrogen 3.097 N/A ASP 232.A N ASN 236.A O no hydrogen 2.921 N/A GLU 233.A N ASN 298.A O no hydrogen 2.807 N/A ASP 234.A N ASP 232.A OD2 no hydrogen 2.975 N/A ASN 235.A N ASP 232.A O no hydrogen 2.821 N/A ASN 236.A N ASP 232.A OD2 no hydrogen 2.857 N/A LEU 237.A N PHE 250.A O no hydrogen 2.814 N/A LEU 238.A N ASP 230.A O no hydrogen 2.851 N/A VAL 239.A N GLU 248.A O no hydrogen 2.740 N/A ALA 240.A N GLY 228.A O no hydrogen 2.987 N/A ASN 241.A N HIS 246.A O no hydrogen 3.121 N/A ASN 241.A ND2 HIS 222.A NE2 no hydrogen 2.892 N/A LEU 242.A N GLY 225.A O no hydrogen 2.923 N/A GLY 243.A N GLU 266.A O no hydrogen 2.897 N/A SER 244.A N ASN 241.A O no hydrogen 3.028 N/A SER 244.A OG ASN 241.A O no hydrogen 2.685 N/A SER 245.A N GLU 266.A O no hydrogen 3.186 N/A SER 245.A OG PHE 265.A O no hydrogen 3.362 N/A HIS 246.A N SER 244.A OG no hydrogen 3.060 N/A HIS 246.A ND1 SER 244.A O no hydrogen 2.833 N/A ILE 247.A N ILE 261.A O no hydrogen 2.901 N/A GLU 248.A N VAL 239.A O no hydrogen 2.806 N/A VAL 249.A N MET 259.A O no hydrogen 2.843 N/A PHE 250.A N LEU 237.A O no hydrogen 2.811 N/A GLY 254.A N GLY 251.A O no hydrogen 2.974 N/A GLY 255.A N TRP 215.A O no hydrogen 2.787 N/A LYS 258.A N VAL 249.A O no hydrogen 2.810 N/A ARG 260.A N PRO 2.A O no hydrogen 2.801 N/A ARG 260.A NE GLU 248.A OE1 no hydrogen 2.829 N/A ARG 260.A NE GLU 248.A OE2 no hydrogen 3.407 N/A ARG 260.A NH2 GLU 248.A OE2 no hydrogen 2.787 N/A ILE 261.A N ILE 247.A O no hydrogen 2.737 N/A ARG 262.A N ILE 4.A O no hydrogen 3.048 N/A CYS 263.A N SER 245.A O no hydrogen 2.807 N/A CYS 263.A SG ILE 261.A O no hydrogen 4.003 N/A GLU 266.A N GLU 286.A OE2 no hydrogen 2.741 N/A SER 269.A N THR 283.A O no hydrogen 2.648 N/A SER 269.A OG GLU 19.A OE2 no hydrogen 3.224 N/A SER 269.A OG ASP 227.A OD2 no hydrogen 2.808 N/A ASN 270.A N THR 283.A OG1 no hydrogen 3.133 N/A ASN 270.A ND2 LEU 271.A O no hydrogen 3.260 N/A HIS 272.A N PHE 281.A O no hydrogen 2.996 N/A LYS 274.A N THR 279.A O no hydrogen 2.863 N/A THR 277.A N LYS 274.A O no hydrogen 3.021 N/A THR 277.A OG1 LYS 274.A O no hydrogen 2.787 N/A THR 279.A N THR 277.A OG1 no hydrogen 3.069 N/A THR 279.A OG1 GLU 294.A OE1 no hydrogen 2.538 N/A THR 279.A OG1 GLU 294.A OE2 no hydrogen 3.507 N/A ILE 280.A N PHE 293.A O no hydrogen 2.851 N/A PHE 281.A N HIS 272.A O no hydrogen 2.806 N/A VAL 282.A N TRP 291.A O no hydrogen 2.738 N/A THR 283.A N ASN 270.A O no hydrogen 2.985 N/A THR 283.A OG1 ALA 18.A O no hydrogen 3.104 N/A THR 283.A OG1 ASN 270.A O no hydrogen 3.381 N/A GLU 284.A N ALA 289.A O no hydrogen 3.059 N/A HIS 285.A N LYS 267.A O no hydrogen 3.020 N/A HIS 285.A NE2 ALA 18.A O no hydrogen 3.006 N/A GLU 286.A N GLU 284.A OE2 no hydrogen 2.968 N/A ASN 287.A N GLU 284.A OE2 no hydrogen 2.811 N/A VAL 290.A N THR 12.A O no hydrogen 2.973 N/A TRP 291.A N VAL 282.A O no hydrogen 2.729 N/A TRP 291.A NE1 GLU 284.A OE1 no hydrogen 2.860 N/A LYS 292.A N THR 9.A O no hydrogen 3.011 N/A PHE 293.A N ILE 280.A O no hydrogen 3.058 N/A TRP 295.A N LYS 278.A O no hydrogen 2.798 N/A TRP 295.A NE1 ASP 232.A OD1 no hydrogen 2.824 N/A ARG 297.A NH1 ASP 232.A OD1 no hydrogen 2.915 N/A ARG 297.A NH1 GLN 296.A OE1 no hydrogen 3.260 N/A ARG 297.A NH2 GLN 296.A OE1 no hydrogen 2.852 N/A LYS 300.A N PHE 231.A O no hydrogen 2.870 N/A GLN 302.A N GLU 305.A OE2 no hydrogen 2.885 N/A GLN 302.A NE2 GLN 75.A OE1 no hydrogen 2.938 N/A GLU 305.A N GLN 302.A O no hydrogen 2.883 N/A THR 306.A N TYR 303.A O no hydrogen 2.905 N/A THR 306.A OG1 TYR 303.A O no hydrogen 2.500 N/A GLY 310.A N LEU 307.A O no hydrogen 3.507 N/A