Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ism_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ARG 325.A O no hydrogen 3.014 N/A VAL 7.A N VAL 323.A O no hydrogen 2.755 N/A GLY 10.A N GLY 319.A O no hydrogen 3.175 N/A GLU 12.A N GLU 29.A OE2 no hydrogen 2.709 N/A VAL 13.A N ASP 321.A OD2 no hydrogen 2.547 N/A TRP 15.A N ALA 28.A O no hydrogen 2.700 N/A LEU 17.A N GLU 294.A OE2 no hydrogen 2.917 N/A ALA 18.A N LEU 26.A O no hydrogen 2.973 N/A LEU 20.A N GLY 24.A O no hydrogen 3.104 N/A GLY 23.A N LEU 20.A O no hydrogen 2.831 N/A LEU 26.A N ALA 18.A O no hydrogen 2.750 N/A ILE 27.A N ARG 35.A O no hydrogen 2.803 N/A ALA 28.A N ALA 16.A O no hydrogen 2.997 N/A GLU 29.A N ARG 33.A O no hydrogen 2.797 N/A ARG 30.A N VAL 13.A O no hydrogen 3.086 N/A ARG 30.A NH2 ASP 311.A O no hydrogen 2.975 N/A GLY 32.A N GLU 29.A O no hydrogen 2.827 N/A ARG 33.A N GLU 29.A O no hydrogen 3.310 N/A ARG 33.A NE GLU 29.A OE1 no hydrogen 2.785 N/A ARG 33.A NH2 GLU 12.A OE1 no hydrogen 3.160 N/A ARG 33.A NH2 GLU 29.A OE1 no hydrogen 3.359 N/A ILE 34.A N ALA 46.A O no hydrogen 2.800 N/A ARG 35.A N ILE 27.A O no hydrogen 2.722 N/A ARG 35.A NE GLU 29.A OE1 no hydrogen 2.878 N/A LEU 36.A N SER 43.A O no hydrogen 2.746 N/A PHE 37.A N MET 25.A O no hydrogen 2.876 N/A ARG 38.A N ARG 41.A O no hydrogen 3.033 N/A ARG 38.A NH1 GLU 39.A OE2 no hydrogen 2.646 N/A ARG 41.A N ARG 38.A O no hydrogen 2.833 N/A ARG 41.A NH1 GLU 39.A OE1 no hydrogen 3.268 N/A ARG 41.A NH2 GLU 39.A OE1 no hydrogen 3.474 N/A SER 43.A N LEU 36.A O no hydrogen 2.936 N/A SER 43.A OG LEU 36.A O no hydrogen 3.553 N/A TYR 45.A N ILE 34.A O no hydrogen 2.743 N/A TYR 45.A OH HIS 93.A ND1 no hydrogen 2.679 N/A ALA 46.A N ILE 34.A O no hydrogen 3.125 N/A LEU 48.A N GLY 32.A O no hydrogen 2.740 N/A TYR 51.A N THR 78.A O no hydrogen 2.743 N/A TYR 51.A OH PRO 112.A O no hydrogen 2.576 N/A GLU 55.A N GLY 114.A O no hydrogen 2.836 N/A SER 56.A N ARG 53.A O no hydrogen 2.964 N/A SER 56.A OG GLY 114.A O no hydrogen 2.715 N/A SER 56.A OG SER 117.A OG no hydrogen 2.789 N/A GLY 57.A N THR 78.A OG1 no hydrogen 3.201 N/A LEU 58.A N ARG 30.A O no hydrogen 2.850 N/A LEU 59.A N TYR 76.A O no hydrogen 2.854 N/A ALA 62.A N TYR 74.A O no hydrogen 2.926 N/A HIS 64.A N TYR 72.A O no hydrogen 3.051 N/A ARG 66.A N HIS 64.A ND1 no hydrogen 2.900 N/A PHE 67.A N HIS 64.A O no hydrogen 3.142 N/A GLU 70.A N ARG 66.A O no hydrogen 3.009 N/A VAL 73.A N LEU 91.A O no hydrogen 2.955 N/A TYR 74.A N ALA 62.A O no hydrogen 2.749 N/A TYR 74.A OH PRO 157.A O no hydrogen 2.575 N/A ALA 75.A N VAL 89.A O no hydrogen 2.904 N/A TYR 76.A N GLY 60.A O no hydrogen 2.956 N/A TYR 76.A OH SER 117.A O no hydrogen 2.664 N/A ARG 77.A N GLN 87.A O no hydrogen 2.900 N/A THR 78.A N GLY 57.A O no hydrogen 2.901 N/A VAL 79.A N ARG 85.A O no hydrogen 2.936 N/A GLY 83.A N ALA 80.A O no hydrogen 2.966 N/A ARG 85.A N VAL 79.A O no hydrogen 3.082 N/A ARG 85.A NE ASP 106.A OD1 no hydrogen 2.837 N/A ARG 85.A NH1 GLU 81.A O no hydrogen 2.874 N/A ARG 85.A NH1 GLY 83.A O no hydrogen 2.727 N/A ARG 85.A NH2 ASP 106.A OD2 no hydrogen 2.979 N/A ASN 86.A N ILE 108.A O no hydrogen 2.725 N/A ASN 86.A ND2 THR 78.A OG1 no hydrogen 2.615 N/A GLN 87.A N ARG 77.A O no hydrogen 2.944 N/A VAL 88.A N LEU 105.A O no hydrogen 2.824 N/A VAL 89.A N ALA 75.A O no hydrogen 2.802 N/A ARG 90.A N ARG 102.A O no hydrogen 2.810 N/A ARG 90.A NE ASP 101.A OD2 no hydrogen 2.852 N/A ARG 90.A NH1 TYR 74.A OH no hydrogen 3.267 N/A ARG 90.A NH1 GLU 158.A OE2 no hydrogen 2.980 N/A ARG 90.A NH2 ASP 101.A OD2 no hydrogen 3.004 N/A LEU 91.A N VAL 73.A O no hydrogen 2.802 N/A ARG 92.A N VAL 99.A O no hydrogen 2.593 N/A HIS 93.A N PRO 71.A O no hydrogen 3.494 N/A HIS 93.A ND1 TYR 45.A OH no hydrogen 2.679 N/A LEU 94.A N ARG 97.A O no hydrogen 2.729 N/A ARG 97.A NE TYR 45.A O no hydrogen 3.085 N/A GLY 98.A N TYR 45.A O no hydrogen 3.048 N/A VAL 99.A N ARG 92.A O no hydrogen 3.014 N/A ASP 101.A N ARG 90.A O no hydrogen 2.772 N/A ARG 102.A N ARG 90.A O no hydrogen 3.255 N/A ARG 102.A NH2 GLU 158.A O no hydrogen 2.706 N/A VAL 104.A N VAL 88.A O no hydrogen 2.768 N/A LEU 105.A N VAL 88.A O no hydrogen 3.217 N/A GLY 107.A N ASP 106.A OD1 no hydrogen 2.888 N/A ILE 108.A N ASN 86.A O no hydrogen 2.916 N/A ARG 111.A NE GLU 138.A OE2 no hydrogen 2.583 N/A ARG 111.A NH1 ALA 110.A O no hydrogen 2.775 N/A ARG 111.A NH2 GLU 138.A OE1 no hydrogen 2.981 N/A GLY 114.A N ARG 111.A O no hydrogen 2.770 N/A HIS 116.A N GLU 55.A OE1 no hydrogen 2.792 N/A HIS 116.A ND1 GLU 135.A OE2 no hydrogen 2.766 N/A SER 117.A OG SER 56.A OG no hydrogen 2.789 N/A SER 117.A OG ASN 86.A OD1 no hydrogen 3.097 N/A GLY 118.A N ASN 184.A OD1 no hydrogen 2.993 N/A GLY 119.A N THR 132.A O no hydrogen 2.935 N/A ARG 120.A N THR 132.A OG1 no hydrogen 3.029 N/A ARG 120.A NH1 TRP 15.A O no hydrogen 2.944 N/A ARG 120.A NH2 TRP 15.A O no hydrogen 3.366 N/A ALA 122.A N TYR 130.A O no hydrogen 3.102 N/A GLY 124.A N MET 128.A O no hydrogen 2.900 N/A GLY 127.A N GLY 124.A O no hydrogen 2.845 N/A MET 128.A N ASP 126.A OD1 no hydrogen 2.907 N/A LEU 129.A N LEU 155.A O no hydrogen 2.790 N/A TYR 130.A N ALA 122.A O no hydrogen 2.812 N/A TYR 130.A OH ASP 126.A OD2 no hydrogen 2.599 N/A VAL 131.A N LEU 153.A O no hydrogen 2.868 N/A THR 132.A N ARG 120.A O no hydrogen 2.905 N/A THR 132.A OG1 ARG 120.A O no hydrogen 3.544 N/A THR 132.A OG1 PRO 185.A O no hydrogen 2.412 N/A THR 133.A N LYS 151.A O no hydrogen 2.911 N/A THR 133.A OG1 LEU 148.A O no hydrogen 2.595 N/A THR 133.A OG1 LYS 151.A O no hydrogen 3.358 N/A GLU 135.A N ARG 183.A O no hydrogen 3.472 N/A VAL 136.A N HIS 116.A O no hydrogen 3.074 N/A TYR 137.A N GLU 135.A OE2 no hydrogen 2.838 N/A GLU 138.A N GLU 135.A O no hydrogen 2.666 N/A LEU 141.A N GLU 138.A O no hydrogen 2.964 N/A ALA 142.A N ARG 139.A O no hydrogen 3.120 N/A GLN 143.A N GLU 140.A O no hydrogen 3.144 N/A GLN 143.A NE2 ASN 217.A OD1 no hydrogen 2.968 N/A GLN 143.A NE2 TRP 220.A O no hydrogen 2.732 N/A ASP 144.A N LEU 141.A O no hydrogen 3.001 N/A ALA 146.A N ASP 144.A OD1 no hydrogen 2.928 N/A SER 147.A N ASP 144.A O no hydrogen 3.041 N/A GLY 149.A N SER 147.A OG no hydrogen 3.000 N/A LYS 151.A N THR 133.A OG1 no hydrogen 2.998 N/A LYS 151.A NZ LEU 141.A O no hydrogen 2.813 N/A LYS 151.A NZ ALA 142.A O no hydrogen 3.336 N/A LYS 151.A NZ ASP 144.A O no hydrogen 2.771 N/A LYS 151.A NZ SER 147.A O no hydrogen 3.027 N/A LYS 151.A NZ GLY 149.A O no hydrogen 2.742 N/A ILE 152.A N SER 179.A O no hydrogen 3.097 N/A LEU 153.A N VAL 131.A O no hydrogen 2.682 N/A ARG 154.A N GLU 176.A O no hydrogen 2.981 N/A ARG 154.A NH1 ASP 126.A OD2 no hydrogen 2.948 N/A LEU 155.A N LEU 129.A O no hydrogen 2.833 N/A THR 156.A N GLU 160.A O no hydrogen 2.834 N/A GLU 158.A N THR 156.A OG1 no hydrogen 3.293 N/A GLY 159.A N THR 156.A O no hydrogen 2.862 N/A GLU 160.A N THR 156.A OG1 no hydrogen 3.233 N/A ALA 162.A N ARG 154.A O no hydrogen 3.139 N/A ASN 165.A N ALA 162.A O no hydrogen 3.041 N/A ARG 174.A N LEU 145.A O no hydrogen 2.820 N/A ARG 174.A NE GLU 176.A OE1 no hydrogen 3.081 N/A ARG 174.A NH2 GLU 176.A OE2 no hydrogen 3.081 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.812 N/A VAL 177.A N ARG 174.A O no hydrogen 3.116 N/A TYR 178.A N ILE 152.A O no hydrogen 2.853 N/A SER 179.A N ILE 152.A O no hydrogen 3.173 N/A SER 179.A OG HIS 182.A NE2 no hydrogen 2.897 N/A LEU 180.A N GLY 216.A O no hydrogen 2.992 N/A GLY 181.A N ALA 142.A O no hydrogen 3.023 N/A HIS 182.A N GLY 150.A O no hydrogen 3.153 N/A HIS 182.A ND1 GLU 201.A OE1 no hydrogen 2.809 N/A HIS 182.A NE2 SER 179.A OG no hydrogen 2.897 N/A ARG 183.A N GLU 201.A OE2 no hydrogen 2.977 N/A GLN 186.A N SER 200.A O no hydrogen 3.185 N/A GLN 186.A NE2 GLY 118.A O no hydrogen 3.555 N/A LEU 188.A N ASN 247.A OD1 no hydrogen 2.944 N/A ALA 189.A N PHE 198.A O no hydrogen 2.876 N/A HIS 191.A N GLU 196.A O no hydrogen 2.812 N/A LYS 193.A N HIS 191.A ND1 no hydrogen 3.095 N/A THR 194.A N HIS 191.A ND1 no hydrogen 3.357 N/A THR 194.A OG1 GLU 196.A OE1 no hydrogen 2.516 N/A GLY 195.A N HIS 191.A O no hydrogen 2.781 N/A GLU 196.A N THR 194.A OG1 no hydrogen 3.294 N/A PHE 198.A N ALA 189.A O no hydrogen 2.630 N/A SER 199.A N ASN 210.A O no hydrogen 2.814 N/A SER 199.A OG GLY 187.A O no hydrogen 2.644 N/A SER 199.A OG SER 200.A O no hydrogen 3.549 N/A SER 200.A OG GLY 246.A O no hydrogen 2.700 N/A GLU 201.A N GLU 208.A O no hydrogen 3.087 N/A HIS 202.A N ASN 184.A O no hydrogen 2.678 N/A GLY 203.A N ASP 207.A OD1 no hydrogen 3.220 N/A HIS 206.A N TRP 239.A O no hydrogen 3.307 N/A GLU 208.A N GLU 201.A O no hydrogen 3.232 N/A VAL 209.A N TYR 237.A O no hydrogen 2.977 N/A ASN 210.A N SER 199.A O no hydrogen 2.615 N/A ILE 212.A N LEU 197.A O no hydrogen 2.847 N/A VAL 213.A N TYR 218.A OH no hydrogen 2.882 N/A GLY 215.A N TYR 178.A O no hydrogen 2.685 N/A GLY 216.A N VAL 213.A O no hydrogen 2.892 N/A ASN 217.A ND2 GLN 143.A OE1 no hydrogen 2.908 N/A TYR 218.A N LEU 180.A O no hydrogen 2.761 N/A TYR 218.A OH LEU 211.A O no hydrogen 2.591 N/A GLY 219.A N ASN 217.A OD1 no hydrogen 3.051 N/A TRP 220.A N GLY 181.A O no hydrogen 3.135 N/A TRP 220.A NE1 GLU 135.A OE1 no hydrogen 2.885 N/A ARG 222.A NH1 GLU 140.A OE1 no hydrogen 3.448 N/A ARG 222.A NH1 GLU 140.A OE2 no hydrogen 3.017 N/A ARG 222.A NH2 GLU 140.A OE1 no hydrogen 2.750 N/A VAL 223.A N GLY 219.A O no hydrogen 2.940 N/A ARG 226.A NH2 LEU 236.A O no hydrogen 3.003 N/A GLY 227.A N ASP 234.A OD1 no hydrogen 2.728 N/A ARG 231.A N ASP 229.A OD1 no hydrogen 2.947 N/A ARG 231.A NE ASP 229.A OD1 no hydrogen 3.173 N/A ARG 231.A NE ASP 229.A OD2 no hydrogen 3.186 N/A ARG 231.A NH2 ASP 229.A OD2 no hydrogen 2.828 N/A TYR 232.A N ASP 229.A O no hydrogen 2.861 N/A ARG 233.A N ASN 217.A O no hydrogen 2.856 N/A LEU 236.A N VAL 209.A O no hydrogen 2.773 N/A TYR 237.A N VAL 209.A O no hydrogen 3.267 N/A TRP 239.A N ASP 207.A O no hydrogen 3.020 N/A GLY 242.A N TRP 239.A O no hydrogen 3.018 N/A GLY 246.A N ALA 258.A O no hydrogen 2.842 N/A ASN 247.A N ARG 293.A O no hydrogen 2.804 N/A ASN 247.A ND2 GLU 294.A OE1 no hydrogen 2.795 N/A ALA 249.A N TYR 256.A O no hydrogen 2.922 N/A PHE 251.A N ASP 254.A O no hydrogen 2.757 N/A ASP 254.A N PHE 251.A O no hydrogen 2.842 N/A LEU 255.A N LEU 268.A O no hydrogen 3.343 N/A TYR 256.A N ALA 249.A O no hydrogen 2.810 N/A VAL 257.A N LEU 266.A O no hydrogen 2.853 N/A ALA 258.A N ASN 247.A O no hydrogen 3.053 N/A GLY 259.A N ALA 264.A O no hydrogen 2.781 N/A LEU 260.A N PRO 244.A O no hydrogen 2.867 N/A LEU 265.A N LEU 286.A O no hydrogen 2.889 N/A LEU 266.A N VAL 257.A O no hydrogen 2.989 N/A ARG 267.A N GLU 283.A O no hydrogen 2.631 N/A ARG 267.A NE TYR 256.A OH no hydrogen 2.822 N/A ARG 267.A NH1 GLU 283.A OE1 no hydrogen 2.907 N/A ARG 267.A NH2 TYR 256.A OH no hydrogen 3.292 N/A LEU 268.A N LEU 255.A O no hydrogen 2.752 N/A VAL 269.A N ARG 281.A O no hydrogen 2.948 N/A GLU 271.A N ARG 278.A O no hydrogen 3.030 N/A GLU 273.A N ARG 276.A O no hydrogen 3.018 N/A GLY 275.A N GLU 196.A OE2 no hydrogen 2.919 N/A ARG 276.A N GLU 273.A O no hydrogen 2.841 N/A TRP 277.A NE1 GLU 196.A OE1 no hydrogen 2.737 N/A ARG 278.A N GLU 271.A O no hydrogen 3.033 N/A LEU 280.A N VAL 269.A O no hydrogen 2.647 N/A GLU 283.A N ARG 267.A O no hydrogen 2.887 N/A ALA 285.A N LEU 265.A O no hydrogen 2.736 N/A LEU 286.A N LEU 265.A O no hydrogen 3.385 N/A ARG 291.A NE SER 308.A O no hydrogen 2.994 N/A ARG 291.A NE ASP 311.A OD2 no hydrogen 3.064 N/A ARG 291.A NH2 ASP 311.A OD2 no hydrogen 2.883 N/A LEU 292.A N GLY 259.A O no hydrogen 2.888 N/A ARG 293.A N THR 306.A O no hydrogen 3.001 N/A ARG 293.A NE SER 308.A OG no hydrogen 2.890 N/A ARG 293.A NH1 GLN 186.A OE1 no hydrogen 3.466 N/A ARG 293.A NH2 ASP 311.A OD2 no hydrogen 3.017 N/A GLU 294.A N THR 306.A OG1 no hydrogen 3.057 N/A VAL 295.A N GLU 294.A OE1 no hydrogen 2.817 N/A GLN 296.A N TYR 304.A O no hydrogen 2.858 N/A GLN 296.A NE2 GLU 294.A OE2 no hydrogen 2.943 N/A GLY 298.A N ALA 302.A O no hydrogen 2.808 N/A GLY 301.A N GLY 298.A O no hydrogen 3.160 N/A ALA 302.A N ASP 300.A OD1 no hydrogen 3.017 N/A LEU 303.A N LEU 326.A O no hydrogen 3.148 N/A TYR 304.A N GLN 296.A O no hydrogen 2.658 N/A TYR 304.A OH ASP 300.A OD2 no hydrogen 2.639 N/A VAL 305.A N LEU 324.A O no hydrogen 2.912 N/A THR 306.A N GLU 294.A O no hydrogen 3.042 N/A THR 306.A OG1 PRO 14.A O no hydrogen 2.869 N/A THR 307.A N ARG 322.A O no hydrogen 3.172 N/A THR 307.A OG1 ASP 321.A OD1 no hydrogen 3.371 N/A SER 308.A N ARG 291.A O no hydrogen 2.790 N/A SER 308.A OG ASP 311.A OD2 no hydrogen 2.818 N/A ASN 309.A N ASP 321.A OD1 no hydrogen 2.598 N/A ARG 310.A N ASP 321.A OD1 no hydrogen 3.218 N/A ARG 313.A N ASP 311.A OD1 no hydrogen 2.897 N/A ARG 313.A NH1 GLU 55.A OE2 no hydrogen 2.892 N/A ARG 313.A NH2 GLU 55.A OE2 no hydrogen 2.859 N/A ARG 317.A N ASP 320.A OD2 no hydrogen 2.590 N/A ASP 321.A N ASP 320.A OD1 no hydrogen 2.975 N/A ARG 322.A NH1 GLU 6.A OE2 no hydrogen 2.792 N/A ARG 322.A NH2 PRO 318.A O no hydrogen 3.126 N/A VAL 323.A N VAL 8.A O no hydrogen 2.789 N/A LEU 324.A N VAL 305.A O no hydrogen 2.639 N/A ARG 325.A N GLU 5.A O no hydrogen 2.822 N/A ARG 325.A NE GLU 5.A OE2 no hydrogen 2.939 N/A ARG 325.A NH1 TYR 304.A OH no hydrogen 3.272 N/A LEU 326.A N LEU 303.A O no hydrogen 2.746 N/A LEU 327.A N ARG 3.A O no hydrogen 2.756 N/A