Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a4i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N LYS 251.A O no hydrogen 2.728 N/A GLU 4.A N SER 255.A O no hydrogen 2.910 N/A LEU 6.A N ILE 257.A O no hydrogen 2.819 N/A LYS 9.A N GLY 262.A O no hydrogen 3.289 N/A GLU 10.A N ASN 7.A OD1 no hydrogen 3.177 N/A ILE 11.A N ASN 7.A O no hydrogen 2.919 N/A SER 12.A N GLY 8.A O no hydrogen 2.828 N/A SER 12.A OG GLY 8.A O no hydrogen 2.713 N/A SER 12.A OG LYS 9.A O no hydrogen 3.009 N/A ALA 13.A N LYS 9.A O no hydrogen 2.991 N/A GLN 14.A N GLU 10.A O no hydrogen 3.107 N/A ILE 15.A N ILE 11.A O no hydrogen 3.031 N/A ARG 16.A N SER 12.A O no hydrogen 2.826 N/A ARG 16.A NH1 SER 12.A OG no hydrogen 3.023 N/A ALA 17.A N ALA 13.A O no hydrogen 2.915 N/A ARG 18.A N GLN 14.A O no hydrogen 3.138 N/A ARG 18.A NH2 GLN 274.A OE1 no hydrogen 2.647 N/A LEU 19.A N ILE 15.A O no hydrogen 2.854 N/A LYS 20.A N ARG 16.A O no hydrogen 2.909 N/A ASN 21.A N ALA 17.A O no hydrogen 3.087 N/A GLN 22.A N ARG 18.A O no hydrogen 2.927 N/A VAL 23.A N LEU 19.A O no hydrogen 2.756 N/A THR 24.A N LYS 20.A O no hydrogen 2.900 N/A THR 24.A OG1 LYS 20.A O no hydrogen 3.125 N/A GLN 25.A N ASN 21.A O no hydrogen 2.959 N/A LEU 26.A N GLN 22.A O no hydrogen 3.006 N/A LYS 27.A N VAL 23.A O no hydrogen 2.944 N/A LYS 27.A NZ GLY 63.A O no hydrogen 2.950 N/A GLU 28.A N THR 24.A O no hydrogen 2.932 N/A GLN 29.A N GLN 25.A O no hydrogen 2.982 N/A GLN 29.A N LEU 26.A O no hydrogen 3.150 N/A VAL 30.A N LEU 26.A O no hydrogen 2.972 N/A PHE 33.A N VAL 30.A O no hydrogen 2.871 N/A ARG 36.A NE THR 67.A OG1 no hydrogen 3.063 N/A ARG 36.A NH1 THR 92.A OG1 no hydrogen 2.774 N/A ARG 36.A NH2 THR 67.A OG1 no hydrogen 2.863 N/A LEU 37.A N LYS 65.A O no hydrogen 2.855 N/A ALA 38.A N GLY 95.A O no hydrogen 3.023 N/A ILE 39.A N THR 67.A O no hydrogen 2.846 N/A LEU 40.A N LEU 97.A O no hydrogen 2.916 N/A GLN 41.A N ILE 69.A O no hydrogen 2.812 N/A GLN 41.A NE2 ASN 49.A OD1 no hydrogen 2.896 N/A GLY 43.A N LEU 71.A O no hydrogen 2.802 N/A ASN 44.A N ASP 103.A OD2 no hydrogen 2.998 N/A ARG 45.A NE ASP 47.A OD1 no hydrogen 2.878 N/A ARG 45.A NH2 ASP 47.A OD1 no hydrogen 3.547 N/A ARG 45.A NH2 ASP 47.A OD2 no hydrogen 2.811 N/A SER 48.A N ASP 47.A OD1 no hydrogen 2.775 N/A ASN 49.A N ARG 45.A O no hydrogen 2.981 N/A ASN 49.A ND2 ASN 44.A OD1 no hydrogen 3.035 N/A LEU 50.A N ASP 46.A O no hydrogen 3.075 N/A TYR 51.A N ASP 47.A O no hydrogen 2.933 N/A ILE 52.A N SER 48.A O no hydrogen 2.865 N/A ASN 53.A N ASN 49.A O no hydrogen 2.943 N/A VAL 54.A N LEU 50.A O no hydrogen 3.052 N/A LYS 55.A N TYR 51.A O no hydrogen 3.077 N/A LYS 55.A NZ GLN 99.A OE1 no hydrogen 2.716 N/A LEU 56.A N ILE 52.A O no hydrogen 2.730 N/A LYS 57.A N ASN 53.A O no hydrogen 2.929 N/A ALA 58.A N VAL 54.A O no hydrogen 2.958 N/A ALA 59.A N LYS 55.A O no hydrogen 2.996 N/A GLU 60.A N LEU 56.A O no hydrogen 2.991 N/A GLU 61.A N LYS 57.A O no hydrogen 3.088 N/A ILE 62.A N ALA 58.A O no hydrogen 3.116 N/A ILE 62.A N ALA 59.A O no hydrogen 3.128 N/A GLY 63.A N ALA 59.A O no hydrogen 3.007 N/A GLY 63.A N GLU 60.A O no hydrogen 3.150 N/A ILE 64.A N ALA 59.A O no hydrogen 2.867 N/A LYS 65.A N PRO 35.A O no hydrogen 2.897 N/A THR 67.A N LEU 37.A O no hydrogen 2.904 N/A HIS 68.A NE2 GLN 41.A OE1 no hydrogen 2.765 N/A ILE 69.A N ILE 39.A O no hydrogen 2.867 N/A LYS 70.A NZ GLN 41.A OE1 no hydrogen 3.269 N/A LYS 70.A NZ ASN 44.A OD1 no hydrogen 2.892 N/A LEU 71.A N GLN 41.A O no hydrogen 2.826 N/A ARG 73.A NE ASP 103.A OD1 no hydrogen 2.379 N/A ARG 73.A NE ASP 103.A OD2 no hydrogen 2.991 N/A THR 75.A N PRO 72.A O no hydrogen 3.064 N/A THR 75.A OG1 PRO 72.A O no hydrogen 2.622 N/A THR 76.A N GLU 79.A OE1 no hydrogen 3.327 N/A GLU 79.A N THR 76.A OG1 no hydrogen 3.142 N/A VAL 80.A N THR 76.A O no hydrogen 2.920 N/A MET 81.A N GLU 77.A O no hydrogen 2.942 N/A LYS 82.A N SER 78.A O no hydrogen 3.119 N/A TYR 83.A N GLU 79.A O no hydrogen 3.354 N/A ILE 84.A N VAL 80.A O no hydrogen 2.974 N/A THR 85.A N MET 81.A O no hydrogen 2.889 N/A THR 85.A OG1 MET 81.A O no hydrogen 3.074 N/A SER 86.A N LYS 82.A O no hydrogen 2.948 N/A SER 86.A OG LYS 82.A O no hydrogen 3.062 N/A LEU 87.A N TYR 83.A O no hydrogen 2.932 N/A ASN 88.A N ILE 84.A O no hydrogen 2.840 N/A ASN 88.A ND2 ALA 116.A O no hydrogen 2.940 N/A GLU 89.A N THR 85.A O no hydrogen 2.999 N/A THR 92.A N ASP 90.A OD1 no hydrogen 3.085 N/A THR 92.A OG1 ASP 90.A OD1 no hydrogen 2.699 N/A THR 92.A OG1 ASP 90.A OD2 no hydrogen 3.466 N/A VAL 93.A N ASP 90.A O no hydrogen 2.937 N/A HIS 94.A N ARG 36.A O no hydrogen 2.932 N/A GLY 95.A N ARG 36.A O no hydrogen 3.287 N/A PHE 96.A N LYS 121.A O no hydrogen 2.903 N/A LEU 97.A N ALA 38.A O no hydrogen 3.002 N/A GLN 99.A N LEU 40.A O no hydrogen 2.868 N/A ASP 103.A N VAL 42.A O no hydrogen 3.045 N/A SER 104.A OG ARG 73.A O no hydrogen 3.214 N/A SER 104.A OG THR 75.A O no hydrogen 2.742 N/A SER 104.A OG ASN 106.A O no hydrogen 3.443 N/A GLU 105.A N ARG 73.A O no hydrogen 2.859 N/A ASN 106.A N SER 104.A OG no hydrogen 2.892 N/A ASN 106.A ND2 THR 75.A O no hydrogen 3.058 N/A ASN 109.A N GLU 77.A OE1 no hydrogen 2.827 N/A GLU 112.A N ASN 109.A OD1 no hydrogen 3.091 N/A VAL 113.A N ASN 109.A O no hydrogen 3.077 N/A ILE 114.A N THR 110.A O no hydrogen 2.886 N/A ASN 115.A N GLU 111.A O no hydrogen 2.856 N/A ASN 115.A ND2 GLU 111.A O no hydrogen 2.852 N/A ALA 116.A N VAL 113.A O no hydrogen 3.109 N/A ILE 117.A N ILE 114.A O no hydrogen 2.986 N/A ALA 118.A N ASN 88.A OD1 no hydrogen 2.897 N/A LYS 121.A N ALA 118.A O no hydrogen 2.904 N/A LYS 121.A NZ LEU 87.A O no hydrogen 2.893 N/A LYS 121.A NZ ASN 88.A O no hydrogen 3.073 N/A LYS 121.A NZ ASP 90.A O no hydrogen 2.924 N/A LYS 121.A NZ VAL 93.A O no hydrogen 2.889 N/A ASP 122.A N PRO 119.A O no hydrogen 3.205 N/A VAL 123.A N LYS 121.A O no hydrogen 2.800 N/A GLY 125.A N ASP 122.A O no hydrogen 2.829 N/A LEU 126.A N ASP 122.A OD1 no hydrogen 3.308 N/A THR 127.A N ASP 122.A OD2 no hydrogen 2.866 N/A THR 127.A OG1 ASP 122.A OD2 no hydrogen 2.735 N/A SER 128.A N ASN 115.A OD1 no hydrogen 2.656 N/A SER 128.A OG ASN 115.A OD1 no hydrogen 3.300 N/A ASN 130.A N THR 127.A OG1 no hydrogen 3.311 N/A ASN 130.A ND2 PRO 119.A O no hydrogen 3.480 N/A ASN 130.A ND2 ASP 122.A OD2 no hydrogen 2.854 N/A ALA 131.A N THR 127.A O no hydrogen 2.857 N/A GLY 132.A N SER 128.A O no hydrogen 2.713 N/A ARG 133.A N ILE 129.A O no hydrogen 3.172 N/A ARG 133.A NH1 ASP 141.A O no hydrogen 3.054 N/A LEU 134.A N ASN 130.A O no hydrogen 3.066 N/A ALA 135.A N ALA 131.A O no hydrogen 2.779 N/A ARG 136.A N ARG 133.A O no hydrogen 3.273 N/A ARG 136.A NH1 ALA 135.A O no hydrogen 3.269 N/A GLY 137.A N LEU 134.A O no hydrogen 3.122 N/A ASP 138.A N ARG 133.A O no hydrogen 2.819 N/A CYS 142.A SG ASP 138.A O no hydrogen 3.750 N/A PHE 143.A N ASN 130.A OD1 no hydrogen 3.359 N/A CYS 146.A SG VAL 123.A O no hydrogen 3.663 N/A CYS 146.A SG ASP 124.A OD1 no hydrogen 3.598 N/A THR 147.A OG1 THR 268.A OG1 no hydrogen 3.075 N/A LYS 149.A N PRO 145.A O no hydrogen 3.081 N/A GLY 150.A N CYS 146.A O no hydrogen 2.958 N/A CYS 151.A N THR 147.A O no hydrogen 2.901 N/A CYS 151.A SG THR 147.A O no hydrogen 3.416 N/A LEU 152.A N PRO 148.A O no hydrogen 2.809 N/A GLU 153.A N LYS 149.A O no hydrogen 3.054 N/A LEU 154.A N GLY 150.A O no hydrogen 2.969 N/A ILE 155.A N CYS 151.A O no hydrogen 2.962 N/A LYS 156.A N LEU 152.A O no hydrogen 2.875 N/A GLU 157.A N GLU 153.A O no hydrogen 3.018 N/A GLU 157.A N LEU 154.A O no hydrogen 3.130 N/A THR 158.A N ILE 155.A O no hydrogen 3.064 N/A THR 158.A OG1 ILE 155.A O no hydrogen 2.673 N/A GLY 159.A N LYS 156.A O no hydrogen 2.917 N/A VAL 160.A N THR 158.A OG1 no hydrogen 3.026 N/A GLY 164.A N ASN 188.A O no hydrogen 2.896 N/A ARG 165.A N ILE 162.A O no hydrogen 2.942 N/A HIS 166.A N ASP 209.A OD2 no hydrogen 2.920 N/A HIS 166.A NE2 THR 192.A OG1 no hydrogen 2.736 N/A ALA 167.A N THR 190.A O no hydrogen 2.837 N/A VAL 168.A N ILE 210.A O no hydrogen 2.851 N/A VAL 169.A N THR 192.A O no hydrogen 2.877 N/A VAL 170.A N VAL 212.A O no hydrogen 2.806 N/A GLY 171.A N CYS 194.A O no hydrogen 2.850 N/A LYS 174.A NZ GLU 111.A OE1 no hydrogen 3.003 N/A VAL 176.A N SER 173.A OG no hydrogen 2.948 N/A ALA 178.A N SER 173.A O no hydrogen 2.857 N/A MET 180.A N VAL 176.A O no hydrogen 2.914 N/A HIS 181.A N GLY 177.A O no hydrogen 3.051 N/A HIS 181.A ND1 ASP 182.A OD1 no hydrogen 3.049 N/A ASP 182.A N ALA 178.A O no hydrogen 3.284 N/A LEU 183.A N PRO 179.A O no hydrogen 2.916 N/A LEU 184.A N MET 180.A O no hydrogen 3.007 N/A LEU 185.A N HIS 181.A O no hydrogen 2.869 N/A TRP 186.A N ASP 182.A O no hydrogen 2.877 N/A ASN 187.A N LEU 183.A O no hydrogen 3.092 N/A ASN 187.A N LEU 184.A O no hydrogen 3.122 N/A ASN 187.A ND2 LEU 183.A O no hydrogen 2.755 N/A ASN 188.A N LEU 185.A O no hydrogen 2.822 N/A ALA 189.A N LEU 184.A O no hydrogen 3.026 N/A THR 190.A N ARG 165.A O no hydrogen 2.871 N/A THR 192.A N ALA 167.A O no hydrogen 2.824 N/A THR 192.A OG1 HIS 166.A NE2 no hydrogen 2.736 N/A CYS 194.A N VAL 169.A O no hydrogen 2.864 N/A HIS 195.A N THR 198.A OG1 no hydrogen 2.875 N/A LYS 197.A N HIS 195.A ND1 no hydrogen 3.017 N/A THR 198.A N HIS 195.A O no hydrogen 3.031 N/A THR 198.A OG1 HIS 195.A O no hydrogen 3.264 N/A GLU 204.A N HIS 200.A O no hydrogen 3.139 N/A VAL 205.A N LEU 201.A O no hydrogen 2.836 N/A ASN 206.A N ASP 202.A O no hydrogen 3.111 N/A ASN 206.A ND2 TRP 225.A O no hydrogen 3.031 N/A LYS 207.A N GLU 204.A O no hydrogen 3.072 N/A LYS 207.A NZ GLU 204.A OE1 no hydrogen 2.751 N/A GLY 208.A N VAL 205.A O no hydrogen 2.980 N/A ASP 209.A N HIS 166.A O no hydrogen 2.811 N/A ILE 210.A N HIS 166.A O no hydrogen 3.284 N/A LEU 211.A N ILE 231.A O no hydrogen 2.846 N/A VAL 212.A N VAL 168.A O no hydrogen 2.902 N/A VAL 213.A N ILE 233.A O no hydrogen 2.787 N/A ALA 214.A N VAL 170.A O no hydrogen 2.804 N/A THR 215.A N ASP 244.A OD2 no hydrogen 2.747 N/A GLY 216.A N ASP 244.A OD2 no hydrogen 2.970 N/A GLN 217.A N THR 215.A OG1 no hydrogen 3.308 N/A GLN 217.A NE2 THR 215.A O no hydrogen 3.218 N/A GLU 219.A N GLY 243.A O no hydrogen 2.834 N/A MET 220.A N GLN 217.A O no hydrogen 3.314 N/A VAL 221.A N ASP 244.A O no hydrogen 2.921 N/A LYS 222.A NZ GLU 219.A O no hydrogen 2.753 N/A GLY 223.A N GLU 249.A OE1 no hydrogen 3.000 N/A TRP 225.A N LYS 222.A O no hydrogen 2.986 N/A ILE 226.A N GLY 223.A O no hydrogen 3.007 N/A LYS 227.A NZ ASP 209.A OD1 no hydrogen 2.796 N/A GLY 229.A N ARG 253.A O no hydrogen 2.866 N/A ALA 230.A N LYS 227.A O no hydrogen 2.925 N/A ILE 231.A N ASP 209.A O no hydrogen 2.941 N/A VAL 232.A N PHE 256.A O no hydrogen 2.919 N/A ILE 233.A N LEU 211.A O no hydrogen 2.792 N/A ASP 234.A N THR 258.A OG1 no hydrogen 2.819 N/A CYS 235.A N VAL 213.A O no hydrogen 2.897 N/A GLY 236.A N ASP 234.A OD1 no hydrogen 2.987 N/A ASN 238.A N VAL 242.A O no hydrogen 2.817 N/A ASN 238.A ND2 VAL 242.A O no hydrogen 3.360 N/A ASN 238.A ND2 GLY 243.A O no hydrogen 3.158 N/A ASN 238.A ND2 ASP 244.A OD1 no hydrogen 2.823 N/A VAL 242.A N ASN 238.A O no hydrogen 2.779 N/A ASP 244.A N ASP 234.A OD1 no hydrogen 2.758 N/A VAL 245.A N ASP 234.A OD2 no hydrogen 3.148 N/A ALA 246.A N VAL 221.A O no hydrogen 2.850 N/A ALA 250.A N ALA 246.A O no hydrogen 2.996 N/A LYS 251.A N TYR 247.A O no hydrogen 2.937 N/A LYS 251.A NZ ASP 248.A OD2 no hydrogen 3.322 N/A GLU 252.A N GLU 249.A O no hydrogen 3.153 N/A ARG 253.A N ALA 250.A O no hydrogen 2.881 N/A ARG 253.A NH1 ILE 226.A O no hydrogen 2.729 N/A ALA 254.A N ALA 250.A O no hydrogen 2.786 N/A SER 255.A N ALA 230.A O no hydrogen 2.899 N/A SER 255.A OG GLY 229.A O no hydrogen 2.599 N/A SER 255.A OG ALA 230.A O no hydrogen 3.213 N/A PHE 256.A N ALA 230.A O no hydrogen 3.368 N/A ILE 257.A N GLU 4.A O no hydrogen 2.914 N/A THR 258.A N VAL 232.A O no hydrogen 3.074 N/A THR 258.A OG1 VAL 232.A O no hydrogen 3.530 N/A THR 268.A N VAL 264.A O no hydrogen 3.034 N/A THR 268.A OG1 THR 147.A OG1 no hydrogen 3.075 N/A THR 268.A OG1 VAL 264.A O no hydrogen 3.117 N/A VAL 269.A N GLY 265.A O no hydrogen 3.453 N/A ALA 270.A N PRO 266.A O no hydrogen 3.022 N/A MET 271.A N MET 267.A O no hydrogen 2.889 N/A LEU 272.A N THR 268.A O no hydrogen 3.061 N/A MET 273.A N VAL 269.A O no hydrogen 3.015 N/A GLN 274.A N ALA 270.A O no hydrogen 2.893 N/A SER 275.A N MET 271.A O no hydrogen 2.949 N/A SER 275.A OG MET 271.A O no hydrogen 3.450 N/A THR 276.A N LEU 272.A O no hydrogen 2.943 N/A THR 276.A OG1 LEU 272.A O no hydrogen 2.861 N/A VAL 277.A N MET 273.A O no hydrogen 2.854 N/A GLU 278.A N GLN 274.A O no hydrogen 2.957 N/A SER 279.A N SER 275.A O no hydrogen 2.910 N/A SER 279.A OG THR 276.A O no hydrogen 2.809 N/A ALA 280.A N THR 276.A O no hydrogen 3.063 N/A LYS 281.A N VAL 277.A O no hydrogen 2.920 N/A ARG 282.A N GLU 278.A O no hydrogen 2.751 N/A ARG 282.A NH2 GLU 278.A OE2 no hydrogen 3.167 N/A PHE 283.A N SER 279.A O no hydrogen 3.200 N/A LEU 284.A N ALA 280.A O no hydrogen 3.083 N/A GLU 285.A N LYS 281.A O no hydrogen 2.848 N/A