Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1dig_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N LYS 251.A O no hydrogen 2.772 N/A GLU 4.A N SER 255.A O no hydrogen 2.737 N/A LEU 6.A N ILE 257.A O no hydrogen 2.910 N/A GLU 10.A N ASN 7.A OD1 no hydrogen 3.231 N/A ILE 11.A N ASN 7.A O no hydrogen 2.967 N/A SER 12.A N GLY 8.A O no hydrogen 2.919 N/A SER 12.A OG GLY 8.A O no hydrogen 2.895 N/A SER 12.A OG LYS 9.A O no hydrogen 3.094 N/A ALA 13.A N LYS 9.A O no hydrogen 3.215 N/A GLN 14.A N GLU 10.A O no hydrogen 3.197 N/A GLN 14.A N ILE 11.A O no hydrogen 3.224 N/A ILE 15.A N ILE 11.A O no hydrogen 3.144 N/A ARG 16.A N SER 12.A O no hydrogen 2.845 N/A ARG 16.A NH1 SER 12.A OG no hydrogen 3.012 N/A ALA 17.A N ALA 13.A O no hydrogen 3.144 N/A ARG 18.A N GLN 14.A O no hydrogen 3.080 N/A ARG 18.A NH2 GLN 274.A OE1 no hydrogen 2.797 N/A LEU 19.A N ILE 15.A O no hydrogen 2.810 N/A LYS 20.A N ARG 16.A O no hydrogen 2.876 N/A ASN 21.A N ALA 17.A O no hydrogen 3.195 N/A GLN 22.A N ARG 18.A O no hydrogen 3.093 N/A VAL 23.A N LEU 19.A O no hydrogen 2.893 N/A THR 24.A N LYS 20.A O no hydrogen 2.947 N/A THR 24.A OG1 LYS 20.A O no hydrogen 2.963 N/A GLN 25.A N ASN 21.A O no hydrogen 3.035 N/A GLN 25.A NE2 ASN 21.A O no hydrogen 3.550 N/A LEU 26.A N GLN 22.A O no hydrogen 2.945 N/A LYS 27.A N VAL 23.A O no hydrogen 3.040 N/A LYS 27.A NZ GLY 63.A O no hydrogen 2.909 N/A GLU 28.A N THR 24.A O no hydrogen 3.141 N/A GLN 29.A N GLN 25.A O no hydrogen 2.949 N/A GLN 29.A N LEU 26.A O no hydrogen 3.202 N/A VAL 30.A N LEU 26.A O no hydrogen 2.974 N/A PHE 33.A N VAL 30.A O no hydrogen 3.065 N/A ARG 36.A NE THR 67.A OG1 no hydrogen 3.233 N/A ARG 36.A NH1 THR 92.A OG1 no hydrogen 2.870 N/A ARG 36.A NH2 THR 67.A OG1 no hydrogen 3.024 N/A LEU 37.A N LYS 65.A O no hydrogen 2.766 N/A ALA 38.A N GLY 95.A O no hydrogen 2.997 N/A ILE 39.A N THR 67.A O no hydrogen 2.791 N/A LEU 40.A N LEU 97.A O no hydrogen 2.821 N/A GLN 41.A N ILE 69.A O no hydrogen 2.772 N/A GLN 41.A NE2 ASN 49.A OD1 no hydrogen 3.095 N/A GLY 43.A N LEU 71.A O no hydrogen 2.781 N/A ASN 44.A N ASP 103.A OD2 no hydrogen 3.278 N/A ARG 45.A NE ASP 47.A OD2 no hydrogen 3.078 N/A ARG 45.A NH2 ASP 47.A OD1 no hydrogen 2.802 N/A SER 48.A N ASP 47.A OD2 no hydrogen 2.733 N/A ASN 49.A N ARG 45.A O no hydrogen 3.017 N/A ASN 49.A ND2 ASN 44.A OD1 no hydrogen 3.071 N/A LEU 50.A N ASP 46.A O no hydrogen 3.297 N/A TYR 51.A N ASP 47.A O no hydrogen 3.025 N/A ILE 52.A N SER 48.A O no hydrogen 2.960 N/A ASN 53.A N ASN 49.A O no hydrogen 3.047 N/A VAL 54.A N LEU 50.A O no hydrogen 3.127 N/A LYS 55.A N TYR 51.A O no hydrogen 3.183 N/A LYS 55.A NZ GLN 99.A OE1 no hydrogen 2.718 N/A LEU 56.A N ILE 52.A O no hydrogen 2.803 N/A LYS 57.A N ASN 53.A O no hydrogen 2.846 N/A ALA 58.A N VAL 54.A O no hydrogen 2.942 N/A ALA 59.A N LYS 55.A O no hydrogen 3.038 N/A GLU 60.A N LEU 56.A O no hydrogen 3.028 N/A GLU 61.A N LYS 57.A O no hydrogen 3.326 N/A ILE 62.A N ALA 58.A O no hydrogen 3.140 N/A ILE 62.A N ALA 59.A O no hydrogen 2.852 N/A GLY 63.A N ALA 59.A O no hydrogen 2.900 N/A GLY 63.A N GLU 60.A O no hydrogen 3.138 N/A ILE 64.A N ALA 59.A O no hydrogen 3.004 N/A LYS 65.A N PRO 35.A O no hydrogen 2.823 N/A THR 67.A N LEU 37.A O no hydrogen 2.876 N/A HIS 68.A NE2 GLN 41.A OE1 no hydrogen 2.868 N/A ILE 69.A N ILE 39.A O no hydrogen 2.960 N/A LYS 70.A NZ GLN 41.A OE1 no hydrogen 3.088 N/A LYS 70.A NZ ASN 44.A OD1 no hydrogen 3.110 N/A LEU 71.A N GLN 41.A O no hydrogen 2.760 N/A ARG 73.A NE ASP 103.A OD1 no hydrogen 3.065 N/A ARG 73.A NE ASP 103.A OD2 no hydrogen 3.234 N/A ARG 73.A NH2 ASP 103.A OD1 no hydrogen 3.240 N/A THR 75.A N PRO 72.A O no hydrogen 3.185 N/A THR 75.A OG1 PRO 72.A O no hydrogen 2.569 N/A GLU 79.A N THR 76.A OG1 no hydrogen 3.145 N/A VAL 80.A N THR 76.A O no hydrogen 3.125 N/A MET 81.A N GLU 77.A O no hydrogen 3.002 N/A LYS 82.A N GLU 79.A O no hydrogen 3.170 N/A TYR 83.A N GLU 79.A O no hydrogen 3.416 N/A ILE 84.A N VAL 80.A O no hydrogen 3.079 N/A THR 85.A N MET 81.A O no hydrogen 3.110 N/A THR 85.A OG1 MET 81.A O no hydrogen 2.831 N/A SER 86.A N LYS 82.A O no hydrogen 2.995 N/A SER 86.A OG LYS 82.A O no hydrogen 3.117 N/A LEU 87.A N TYR 83.A O no hydrogen 2.841 N/A ASN 88.A N ILE 84.A O no hydrogen 2.863 N/A ASN 88.A ND2 ALA 116.A O no hydrogen 2.823 N/A GLU 89.A N THR 85.A O no hydrogen 3.029 N/A ASP 90.A N SER 86.A O no hydrogen 2.860 N/A THR 92.A N ASP 90.A OD1 no hydrogen 3.169 N/A THR 92.A OG1 ASP 90.A OD1 no hydrogen 2.676 N/A VAL 93.A N ASP 90.A O no hydrogen 2.941 N/A HIS 94.A N ARG 36.A O no hydrogen 3.096 N/A HIS 94.A NE2 THR 34.A O no hydrogen 3.255 N/A GLY 95.A N ARG 36.A O no hydrogen 3.261 N/A PHE 96.A N LYS 121.A O no hydrogen 2.951 N/A LEU 97.A N ALA 38.A O no hydrogen 2.961 N/A GLN 99.A N LEU 40.A O no hydrogen 2.925 N/A ASP 103.A N VAL 42.A O no hydrogen 2.883 N/A SER 104.A OG ARG 73.A O no hydrogen 3.074 N/A SER 104.A OG THR 75.A O no hydrogen 2.830 N/A SER 104.A OG ASN 106.A O no hydrogen 3.348 N/A GLU 105.A N ARG 73.A O no hydrogen 2.835 N/A ASN 106.A N SER 104.A OG no hydrogen 2.984 N/A ASN 106.A ND2 THR 75.A O no hydrogen 3.177 N/A ASN 109.A N GLU 77.A OE1 no hydrogen 2.969 N/A GLU 112.A N ASN 109.A OD1 no hydrogen 3.288 N/A VAL 113.A N ASN 109.A O no hydrogen 3.128 N/A ILE 114.A N THR 110.A O no hydrogen 2.898 N/A ASN 115.A N GLU 111.A O no hydrogen 2.843 N/A ASN 115.A ND2 SER 128.A OG no hydrogen 3.334 N/A ALA 116.A N VAL 113.A O no hydrogen 3.178 N/A ILE 117.A N ILE 114.A O no hydrogen 3.265 N/A ALA 118.A N ASN 88.A OD1 no hydrogen 2.998 N/A LYS 121.A N ALA 118.A O no hydrogen 2.840 N/A LYS 121.A NZ LEU 87.A O no hydrogen 3.088 N/A LYS 121.A NZ ASN 88.A O no hydrogen 2.898 N/A LYS 121.A NZ ASP 90.A O no hydrogen 2.915 N/A LYS 121.A NZ VAL 93.A O no hydrogen 2.865 N/A ASP 122.A N PRO 119.A O no hydrogen 3.459 N/A VAL 123.A N LYS 121.A O no hydrogen 2.956 N/A GLY 125.A N ASP 122.A O no hydrogen 2.894 N/A LEU 126.A N ASP 122.A OD1 no hydrogen 3.350 N/A THR 127.A N ASP 122.A OD2 no hydrogen 2.875 N/A THR 127.A OG1 ASP 122.A OD2 no hydrogen 2.849 N/A SER 128.A N ASN 115.A OD1 no hydrogen 2.862 N/A SER 128.A OG ASN 115.A OD1 no hydrogen 3.285 N/A ASN 130.A N THR 127.A OG1 no hydrogen 3.359 N/A ASN 130.A ND2 PRO 119.A O no hydrogen 3.573 N/A ASN 130.A ND2 ASP 122.A OD2 no hydrogen 2.668 N/A ALA 131.A N THR 127.A O no hydrogen 2.870 N/A GLY 132.A N SER 128.A O no hydrogen 2.784 N/A ARG 133.A N ILE 129.A O no hydrogen 3.119 N/A LEU 134.A N ASN 130.A O no hydrogen 3.165 N/A ALA 135.A N ALA 131.A O no hydrogen 2.836 N/A ARG 136.A N ARG 133.A O no hydrogen 3.286 N/A ARG 136.A NH2 ALA 135.A O no hydrogen 3.411 N/A GLY 137.A N LEU 134.A O no hydrogen 3.191 N/A ASP 138.A N ARG 133.A O no hydrogen 2.775 N/A LEU 139.A N GLY 137.A O no hydrogen 3.101 N/A CYS 142.A SG ASN 130.A O no hydrogen 3.992 N/A CYS 142.A SG ASP 138.A O no hydrogen 3.646 N/A CYS 146.A SG.A VAL 123.A O no hydrogen 3.827 N/A CYS 146.A SG.A ASP 124.A OD1 no hydrogen 3.726 N/A LYS 149.A N PRO 145.A O no hydrogen 3.156 N/A GLY 150.A N CYS 146.A O no hydrogen 3.068 N/A CYS 151.A N THR 147.A O no hydrogen 3.011 N/A CYS 151.A SG THR 147.A O no hydrogen 3.280 N/A LEU 152.A N PRO 148.A O no hydrogen 2.889 N/A GLU 153.A N LYS 149.A O no hydrogen 3.019 N/A LEU 154.A N GLY 150.A O no hydrogen 2.999 N/A ILE 155.A N CYS 151.A O no hydrogen 2.864 N/A LYS 156.A N LEU 152.A O no hydrogen 3.093 N/A GLU 157.A N GLU 153.A O no hydrogen 3.277 N/A GLU 157.A N LEU 154.A O no hydrogen 3.224 N/A THR 158.A N ILE 155.A O no hydrogen 3.185 N/A THR 158.A OG1 ILE 155.A O no hydrogen 2.588 N/A GLY 159.A N LYS 156.A O no hydrogen 2.950 N/A VAL 160.A N THR 158.A OG1 no hydrogen 3.229 N/A GLY 164.A N ASN 188.A O no hydrogen 2.845 N/A ARG 165.A N ILE 162.A O no hydrogen 3.071 N/A HIS 166.A N ASP 209.A OD2 no hydrogen 2.940 N/A HIS 166.A NE2 THR 192.A OG1 no hydrogen 2.788 N/A ALA 167.A N THR 190.A O no hydrogen 2.676 N/A VAL 168.A N ILE 210.A O no hydrogen 2.886 N/A VAL 169.A N THR 192.A O no hydrogen 2.916 N/A VAL 170.A N VAL 212.A O no hydrogen 2.764 N/A GLY 171.A N CYS 194.A O no hydrogen 2.803 N/A LYS 174.A NZ GLU 111.A OE1 no hydrogen 2.769 N/A VAL 176.A N SER 173.A OG no hydrogen 3.269 N/A ALA 178.A N SER 173.A O no hydrogen 2.710 N/A MET 180.A N VAL 176.A O no hydrogen 2.905 N/A HIS 181.A N GLY 177.A O no hydrogen 3.080 N/A HIS 181.A ND1 ASP 182.A OD1 no hydrogen 2.951 N/A ASP 182.A N ALA 178.A O no hydrogen 3.362 N/A LEU 183.A N PRO 179.A O no hydrogen 3.059 N/A LEU 184.A N MET 180.A O no hydrogen 3.222 N/A LEU 185.A N HIS 181.A O no hydrogen 2.905 N/A TRP 186.A N ASP 182.A O no hydrogen 2.935 N/A ASN 187.A N LEU 184.A O no hydrogen 3.119 N/A ASN 187.A ND2 LEU 183.A O no hydrogen 2.657 N/A ASN 188.A N LEU 185.A O no hydrogen 3.089 N/A ALA 189.A N LEU 184.A O no hydrogen 3.049 N/A THR 190.A N ARG 165.A O no hydrogen 2.751 N/A THR 192.A N ALA 167.A O no hydrogen 2.908 N/A THR 192.A OG1 HIS 166.A NE2 no hydrogen 2.788 N/A CYS 194.A N VAL 169.A O no hydrogen 2.855 N/A HIS 195.A N THR 198.A OG1 no hydrogen 3.139 N/A LYS 197.A N HIS 195.A ND1 no hydrogen 3.125 N/A THR 198.A N HIS 195.A O no hydrogen 3.200 N/A THR 198.A OG1 HIS 195.A O no hydrogen 3.537 N/A GLU 203.A N HIS 200.A O no hydrogen 2.995 N/A GLU 204.A N HIS 200.A O no hydrogen 3.284 N/A VAL 205.A N LEU 201.A O no hydrogen 2.964 N/A ASN 206.A N ASP 202.A O no hydrogen 3.159 N/A ASN 206.A ND2 TRP 225.A O no hydrogen 3.154 N/A LYS 207.A N GLU 204.A O no hydrogen 3.006 N/A LYS 207.A NZ GLU 204.A OE1 no hydrogen 3.214 N/A GLY 208.A N VAL 205.A O no hydrogen 3.052 N/A ASP 209.A N HIS 166.A O no hydrogen 2.755 N/A ILE 210.A N HIS 166.A O no hydrogen 3.441 N/A LEU 211.A N ILE 231.A O no hydrogen 2.713 N/A VAL 212.A N VAL 168.A O no hydrogen 2.918 N/A VAL 213.A N ILE 233.A O no hydrogen 2.809 N/A ALA 214.A N VAL 170.A O no hydrogen 2.810 N/A THR 215.A N ASP 244.A OD2 no hydrogen 2.877 N/A GLY 216.A N ASP 244.A OD1 no hydrogen 3.127 N/A GLY 216.A N ASP 244.A OD2 no hydrogen 3.048 N/A GLN 217.A N THR 215.A OG1 no hydrogen 3.246 N/A GLU 219.A N GLY 243.A O no hydrogen 2.913 N/A MET 220.A N GLN 217.A O no hydrogen 3.444 N/A VAL 221.A N ASP 244.A O no hydrogen 3.055 N/A LYS 222.A NZ GLU 219.A O no hydrogen 3.192 N/A GLY 223.A N GLU 249.A OE1 no hydrogen 3.427 N/A TRP 225.A N LYS 222.A O no hydrogen 3.073 N/A ILE 226.A N GLY 223.A O no hydrogen 3.283 N/A LYS 227.A NZ ASP 209.A OD1 no hydrogen 2.988 N/A GLY 229.A N ARG 253.A O no hydrogen 2.809 N/A ALA 230.A N LYS 227.A O no hydrogen 2.942 N/A ILE 231.A N ASP 209.A O no hydrogen 2.982 N/A VAL 232.A N PHE 256.A O no hydrogen 2.899 N/A ILE 233.A N LEU 211.A O no hydrogen 2.614 N/A ASP 234.A N THR 258.A OG1 no hydrogen 2.802 N/A CYS 235.A N VAL 213.A O no hydrogen 2.907 N/A GLY 236.A N ASP 234.A OD1 no hydrogen 3.033 N/A ASN 238.A N VAL 242.A O no hydrogen 2.863 N/A ASN 238.A ND2 VAL 242.A O no hydrogen 3.268 N/A ASN 238.A ND2 ASP 244.A OD1 no hydrogen 2.755 N/A VAL 242.A N ASN 238.A O no hydrogen 2.819 N/A ASP 244.A N ASP 234.A OD1 no hydrogen 2.854 N/A VAL 245.A N ASP 234.A OD2 no hydrogen 3.228 N/A ALA 246.A N VAL 221.A O no hydrogen 2.982 N/A ALA 250.A N ALA 246.A O no hydrogen 3.003 N/A LYS 251.A N TYR 247.A O no hydrogen 2.850 N/A GLU 252.A N GLU 249.A O no hydrogen 3.140 N/A ARG 253.A N ALA 250.A O no hydrogen 3.055 N/A ARG 253.A NH1 ILE 226.A O no hydrogen 2.611 N/A ALA 254.A N ALA 250.A O no hydrogen 2.886 N/A SER 255.A N ALA 230.A O no hydrogen 2.925 N/A SER 255.A OG GLY 229.A O no hydrogen 2.781 N/A SER 255.A OG ALA 230.A O no hydrogen 3.328 N/A PHE 256.A N ALA 230.A O no hydrogen 3.505 N/A ILE 257.A N GLU 4.A O no hydrogen 3.011 N/A THR 258.A N VAL 232.A O no hydrogen 3.167 N/A THR 258.A OG1 VAL 232.A O no hydrogen 3.565 N/A THR 268.A N VAL 264.A O no hydrogen 2.963 N/A THR 268.A N GLY 265.A O no hydrogen 3.131 N/A THR 268.A OG1 VAL 264.A O no hydrogen 3.238 N/A VAL 269.A N GLY 265.A O no hydrogen 3.431 N/A ALA 270.A N PRO 266.A O no hydrogen 3.129 N/A MET 271.A N MET 267.A O no hydrogen 3.077 N/A LEU 272.A N THR 268.A O no hydrogen 3.108 N/A MET 273.A N VAL 269.A O no hydrogen 3.024 N/A GLN 274.A N ALA 270.A O no hydrogen 2.931 N/A SER 275.A N MET 271.A O no hydrogen 2.904 N/A SER 275.A OG MET 271.A O no hydrogen 3.359 N/A THR 276.A N LEU 272.A O no hydrogen 2.999 N/A THR 276.A OG1 LEU 272.A O no hydrogen 2.881 N/A VAL 277.A N MET 273.A O no hydrogen 2.977 N/A GLU 278.A N GLN 274.A O no hydrogen 3.043 N/A SER 279.A N SER 275.A O no hydrogen 2.939 N/A SER 279.A OG THR 276.A O no hydrogen 2.734 N/A ALA 280.A N THR 276.A O no hydrogen 3.067 N/A LYS 281.A N VAL 277.A O no hydrogen 3.070 N/A ARG 282.A N GLU 278.A O no hydrogen 2.853 N/A ARG 282.A NH2 GLU 278.A OE1 no hydrogen 3.476 N/A PHE 283.A N ALA 280.A O no hydrogen 3.246 N/A LEU 284.A N ALA 280.A O no hydrogen 3.171 N/A GLU 285.A N LYS 281.A O no hydrogen 3.050 N/A