Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 SER 1.A O no hydrogen 2.931 N/A CYS 4.A N GLN 8.A O no hydrogen 2.887 N/A GLY 7.A N CYS 4.A O no hydrogen 2.690 N/A GLN 8.A N GLN 8.A OE1 no hydrogen 2.769 N/A THR 10.A N VAL 2.A O no hydrogen 2.969 N/A THR 10.A OG1 ASP 287.A OD1 no hydrogen 2.753 N/A SER 11.A OG ASP 284.A O no hydrogen 3.244 N/A SER 11.A OG ASP 287.A OD2 no hydrogen 3.071 N/A GLN 14.A N ASN 12.A OD1 no hydrogen 2.904 N/A CYS 15.A N ASN 12.A O no hydrogen 3.114 N/A CYS 15.A SG ASN 12.A O no hydrogen 3.539 N/A CYS 15.A SG ASP 284.A O no hydrogen 3.869 N/A CYS 16.A N SER 13.A O no hydrogen 3.189 N/A TRP 18.A N CYS 15.A O no hydrogen 3.030 N/A TRP 18.A NE1 THR 131.A OG1 no hydrogen 3.085 N/A PHE 19.A N CYS 16.A O no hydrogen 3.136 N/A ASP 20.A N VAL 17.A O no hydrogen 2.841 N/A VAL 21.A N VAL 17.A O no hydrogen 3.270 N/A LEU 22.A N TRP 18.A O no hydrogen 2.894 N/A ASP 23.A N PHE 19.A O no hydrogen 3.234 N/A ASP 24.A N ASP 20.A O no hydrogen 3.203 N/A LEU 25.A N VAL 21.A O no hydrogen 2.904 N/A GLN 26.A N LEU 22.A O no hydrogen 2.948 N/A GLN 26.A NE2 ASN 120.A OD1 no hydrogen 2.851 N/A THR 27.A N ASP 23.A O no hydrogen 3.005 N/A THR 27.A OG1 ASP 23.A O no hydrogen 2.892 N/A ASN 28.A N ASP 24.A O no hydrogen 2.857 N/A TYR 30.A N LEU 25.A O no hydrogen 2.782 N/A TYR 30.A OH ALA 113.A O no hydrogen 2.780 N/A GLN 31.A N ASN 28.A O no hydrogen 2.975 N/A GLY 32.A N GLN 26.A O no hydrogen 2.865 N/A SER 33.A N GLN 26.A O no hydrogen 2.925 N/A LYS 34.A N TYR 30.A O no hydrogen 2.962 N/A SER 37.A N PRO 336.A O no hydrogen 3.048 N/A VAL 39.A N GLU 36.A O no hydrogen 3.109 N/A ARG 40.A NH2 PRO 336.A O no hydrogen 2.606 N/A LYS 41.A N SER 37.A O no hydrogen 2.911 N/A LYS 41.A NZ GLY 87.A O no hydrogen 2.895 N/A LYS 41.A NZ GLU 182.A OE1 no hydrogen 2.816 N/A ILE 42.A N PRO 38.A O no hydrogen 3.015 N/A LEU 43.A N VAL 39.A O no hydrogen 3.020 N/A ARG 44.A N ARG 40.A O no hydrogen 3.205 N/A ARG 44.A NH1 GLY 86.A O no hydrogen 3.117 N/A ARG 44.A NH2 ALA 84.A O no hydrogen 3.017 N/A ARG 44.A NH2 GLY 86.A O no hydrogen 2.884 N/A ILE 45.A N LYS 41.A O no hydrogen 2.978 N/A VAL 46.A N ILE 42.A O no hydrogen 2.857 N/A PHE 47.A N LEU 43.A O no hydrogen 3.389 N/A HIS 48.A N ARG 44.A O no hydrogen 2.891 N/A HIS 48.A ND1 ASN 85.A OD1 no hydrogen 2.762 N/A ASP 49.A N ILE 45.A O no hydrogen 2.833 N/A ALA 50.A N VAL 46.A O no hydrogen 2.963 N/A ILE 51.A N PHE 47.A O no hydrogen 2.873 N/A GLY 52.A N ASP 49.A O no hydrogen 3.474 N/A PHE 53.A N ILE 51.A O no hydrogen 2.733 N/A SER 54.A N GLY 64.A O no hydrogen 2.754 N/A SER 54.A OG ASP 161.A OD2 no hydrogen 2.676 N/A ALA 56.A N ASP 161.A OD1 no hydrogen 2.972 N/A LEU 57.A N SER 54.A OG no hydrogen 3.301 N/A THR 58.A N SER 54.A O no hydrogen 3.155 N/A THR 58.A OG1 SER 54.A O no hydrogen 3.298 N/A ALA 59.A N PRO 55.A O no hydrogen 2.828 N/A ALA 60.A N ALA 56.A O no hydrogen 3.026 N/A GLY 61.A N THR 58.A O no hydrogen 2.897 N/A GLN 62.A N LEU 57.A O no hydrogen 2.909 N/A GLY 67.A N GLY 52.A O no hydrogen 3.009 N/A ALA 68.A N LEU 275.A O no hydrogen 2.890 N/A ASP 69.A N GLY 67.A O no hydrogen 2.805 N/A GLY 70.A N ASP 49.A OD2 no hydrogen 2.894 N/A SER 71.A N ASP 69.A OD1 no hydrogen 3.029 N/A SER 71.A OG ASP 49.A OD1 no hydrogen 3.542 N/A SER 71.A OG ASP 69.A OD1 no hydrogen 2.930 N/A SER 71.A OG GLU 79.A OE2 no hydrogen 2.728 N/A ILE 73.A N GLY 70.A O no hydrogen 3.007 N/A ALA 74.A N GLY 70.A O no hydrogen 3.068 N/A HIS 75.A N SER 71.A O no hydrogen 2.772 N/A HIS 75.A NE2 SER 137.A O no hydrogen 2.875 N/A SER 76.A N ILE 73.A O no hydrogen 3.119 N/A SER 76.A OG ILE 73.A O no hydrogen 3.272 N/A ILE 78.A N HIS 75.A O no hydrogen 3.040 N/A GLU 79.A N HIS 75.A O no hydrogen 2.969 N/A LEU 80.A N SER 76.A O no hydrogen 2.897 N/A ALA 81.A N ILE 78.A O no hydrogen 3.234 N/A PHE 82.A N GLU 79.A O no hydrogen 3.157 N/A ASN 85.A N PHE 82.A O no hydrogen 3.035 N/A ASN 85.A ND2 GLU 79.A O no hydrogen 2.827 N/A ILE 92.A N LEU 88.A O no hydrogen 2.950 N/A GLU 93.A N THR 89.A O no hydrogen 3.050 N/A ALA 94.A N ASP 90.A O no hydrogen 3.234 N/A LEU 95.A N THR 91.A O no hydrogen 2.992 N/A ARG 96.A N ILE 92.A O no hydrogen 2.885 N/A ARG 96.A NE GLU 93.A OE1 no hydrogen 3.045 N/A ARG 96.A NH1 ILE 73.A O no hydrogen 2.997 N/A ARG 96.A NH2 SER 76.A OG no hydrogen 2.834 N/A ARG 96.A NH2 GLU 93.A OE2 no hydrogen 2.967 N/A ALA 97.A N GLU 93.A O no hydrogen 3.068 N/A VAL 98.A N ALA 94.A O no hydrogen 3.296 N/A GLY 99.A N LEU 95.A O no hydrogen 2.959 N/A ILE 100.A N ARG 96.A O no hydrogen 3.053 N/A ASN 101.A N ALA 97.A O no hydrogen 2.865 N/A HIS 102.A N VAL 98.A O no hydrogen 3.009 N/A GLY 103.A N GLY 99.A O no hydrogen 2.971 N/A VAL 104.A N GLY 99.A O no hydrogen 3.316 N/A SER 105.A OG ARG 133.A O no hydrogen 2.810 N/A PHE 106.A N ASN 135.A OD1 no hydrogen 3.071 N/A ASP 108.A N SER 105.A OG no hydrogen 3.352 N/A LEU 109.A N SER 105.A O no hydrogen 2.964 N/A ILE 110.A N PHE 106.A O no hydrogen 3.052 N/A GLN 111.A N GLY 107.A O no hydrogen 3.338 N/A PHE 112.A N ASP 108.A O no hydrogen 2.861 N/A ALA 113.A N LEU 109.A O no hydrogen 2.820 N/A THR 114.A N ILE 110.A O no hydrogen 3.025 N/A THR 114.A OG1 ILE 110.A O no hydrogen 2.939 N/A ALA 115.A N GLN 111.A O no hydrogen 3.144 N/A VAL 116.A N PHE 112.A O no hydrogen 2.941 N/A GLY 117.A N ALA 113.A O no hydrogen 2.871 N/A MET 118.A N THR 114.A O no hydrogen 2.968 N/A SER 119.A N ALA 115.A O no hydrogen 3.086 N/A SER 119.A OG VAL 116.A O no hydrogen 2.741 N/A ASN 120.A N GLY 117.A O no hydrogen 3.100 N/A ASN 120.A ND2 GLN 26.A OE1 no hydrogen 2.786 N/A CYS 121.A N MET 118.A O no hydrogen 2.959 N/A CYS 121.A SG GLY 117.A O no hydrogen 3.643 N/A GLY 123.A N VAL 293.A O no hydrogen 3.040 N/A SER 124.A N CYS 121.A O no hydrogen 3.219 N/A SER 124.A OG MET 118.A O no hydrogen 3.031 N/A SER 124.A OG CYS 121.A O no hydrogen 2.924 N/A ARG 126.A NE ILE 289.A O no hydrogen 3.124 N/A ARG 126.A NH2 ILE 289.A O no hydrogen 2.995 N/A PHE 129.A N SER 286.A OG no hydrogen 2.994 N/A THR 131.A N THR 283.A O no hydrogen 2.774 N/A THR 131.A OG1 ASP 108.A OD2 no hydrogen 3.107 N/A GLY 132.A N ASP 108.A OD2 no hydrogen 2.865 N/A ARG 133.A N ASP 108.A OD1 no hydrogen 3.015 N/A ARG 133.A NE ASP 108.A OD1 no hydrogen 3.302 N/A ARG 133.A NH1 SER 273.A O no hydrogen 2.841 N/A ARG 133.A NH2 ASP 108.A OD1 no hydrogen 3.106 N/A ARG 133.A NH2 LEU 130.A O no hydrogen 2.529 N/A SER 136.A N SER 134.A OG no hydrogen 3.091 N/A SER 140.A N GLU 79.A OE2 no hydrogen 2.956 N/A SER 140.A OG PRO 141.A O no hydrogen 2.993 N/A GLY 147.A N ASN 150.A OD1 no hydrogen 3.037 N/A ASN 150.A N GLY 147.A O no hydrogen 3.059 N/A ALA 154.A N THR 151.A OG1 no hydrogen 3.103 N/A ILE 155.A N THR 151.A O no hydrogen 3.007 N/A LEU 156.A N VAL 152.A O no hydrogen 2.862 N/A ASP 157.A N THR 153.A O no hydrogen 2.892 N/A ARG 158.A N ALA 154.A O no hydrogen 3.060 N/A ARG 158.A NH1 ILE 51.A O no hydrogen 3.007 N/A ARG 158.A NH1 LEU 144.A O no hydrogen 2.852 N/A ARG 158.A NH2 PHE 53.A O no hydrogen 2.974 N/A ARG 158.A NH2 ASP 161.A OD2 no hydrogen 2.898 N/A MET 159.A N ILE 155.A O no hydrogen 2.886 N/A GLY 160.A N LEU 156.A O no hydrogen 2.776 N/A ASP 161.A N ASP 157.A O no hydrogen 2.890 N/A ALA 162.A N ARG 158.A O no hydrogen 3.144 N/A GLY 163.A N MET 159.A O no hydrogen 3.082 N/A PHE 164.A N MET 159.A O no hydrogen 2.872 N/A SER 165.A N GLU 168.A OE1 no hydrogen 3.050 N/A SER 165.A OG GLU 168.A OE1 no hydrogen 3.333 N/A GLU 168.A N SER 165.A OG no hydrogen 3.427 N/A VAL 169.A N SER 165.A O no hydrogen 3.198 N/A VAL 170.A N PRO 166.A O no hydrogen 3.212 N/A ASP 171.A N ASP 167.A O no hydrogen 2.926 N/A LEU 172.A N GLU 168.A O no hydrogen 2.854 N/A LEU 173.A N VAL 169.A O no hydrogen 3.157 N/A LEU 173.A N VAL 170.A O no hydrogen 3.142 N/A ALA 174.A N ASP 171.A O no hydrogen 3.219 N/A ALA 175.A N LEU 172.A O no hydrogen 3.295 N/A HIS 176.A N LEU 173.A O no hydrogen 2.993 N/A HIS 176.A ND1 ASP 238.A OD2 no hydrogen 2.916 N/A SER 177.A N ALA 174.A O no hydrogen 2.931 N/A SER 177.A OG ASP 194.A OD2 no hydrogen 3.015 N/A SER 177.A OG VAL 199.A O no hydrogen 3.268 N/A SER 177.A OG ASP 201.A O no hydrogen 2.690 N/A LEU 178.A N ALA 175.A O no hydrogen 3.028 N/A GLN 181.A N SER 191.A O no hydrogen 3.315 N/A GLN 181.A NE2 ASN 185.A O no hydrogen 2.912 N/A GLN 181.A NE2 SER 191.A OG no hydrogen 2.954 N/A LEU 184.A N GLN 181.A OE1 no hydrogen 2.857 N/A ASN 185.A N GLN 181.A OE1 no hydrogen 2.876 N/A ILE 188.A N ASN 185.A O no hydrogen 3.045 N/A ARG 190.A N GLN 181.A O no hydrogen 2.935 N/A ARG 190.A NE GLU 182.A OE2 no hydrogen 2.820 N/A ARG 190.A NH2 GLU 182.A OE2 no hydrogen 3.395 N/A SER 191.A N ILE 188.A O no hydrogen 3.094 N/A SER 191.A OG ILE 188.A O no hydrogen 3.023 N/A LEU 193.A N ALA 179.A O no hydrogen 2.933 N/A SER 195.A N GLU 207.A OE1 no hydrogen 2.823 N/A SER 195.A OG GLU 207.A OE1 no hydrogen 3.530 N/A SER 195.A OG GLU 207.A OE2 no hydrogen 2.691 N/A THR 196.A N ASP 194.A OD1 no hydrogen 2.903 N/A THR 196.A OG1 ASP 194.A OD1 no hydrogen 3.295 N/A THR 196.A OG1 ASP 201.A OD1 no hydrogen 2.969 N/A THR 196.A OG1 ASP 201.A OD2 no hydrogen 2.747 N/A GLN 198.A NE2 CYS 35.A O no hydrogen 2.956 N/A VAL 199.A N THR 196.A O no hydrogen 3.018 N/A PHE 200.A N PRO 122.A O no hydrogen 2.889 N/A ASP 201.A N SER 177.A OG no hydrogen 3.102 N/A THR 202.A N ASN 258.A OD1 no hydrogen 2.916 N/A THR 202.A OG1 MET 254.A O no hydrogen 2.824 N/A GLN 203.A NE2 GLU 207.A OE2 no hydrogen 3.019 N/A GLN 203.A NE2 VAL 300.A O no hydrogen 2.839 N/A TYR 205.A N THR 202.A O no hydrogen 3.010 N/A TYR 205.A OH VAL 170.A O no hydrogen 2.813 N/A ILE 206.A N THR 202.A O no hydrogen 3.348 N/A GLU 207.A N GLN 203.A O no hydrogen 2.854 N/A THR 208.A N PHE 204.A O no hydrogen 3.138 N/A THR 208.A OG1 PHE 204.A O no hydrogen 2.771 N/A THR 208.A OG1 TYR 205.A O no hydrogen 3.196 N/A LEU 209.A N ILE 206.A O no hydrogen 3.069 N/A LEU 210.A N GLU 207.A O no hydrogen 3.385 N/A LYS 211.A N ASP 309.A O no hydrogen 2.839 N/A LYS 211.A NZ ASP 309.A OD1 no hydrogen 2.887 N/A THR 213.A N SER 227.A O no hydrogen 2.824 N/A THR 214.A N SER 227.A O no hydrogen 2.807 N/A GLN 215.A NE2 GLY 217.A O no hydrogen 2.936 N/A GLY 221.A N GLU 224.A OE1 no hydrogen 2.857 N/A PHE 222.A N LEU 184.A O no hydrogen 3.122 N/A GLU 224.A N GLY 221.A O no hydrogen 3.425 N/A GLU 225.A N ARG 234.A O no hydrogen 2.932 N/A SER 227.A N THR 214.A O no hydrogen 2.850 N/A SER 227.A OG PHE 229.A O no hydrogen 3.104 N/A SER 227.A OG GLU 232.A O no hydrogen 2.787 N/A GLU 232.A N PHE 229.A O no hydrogen 3.254 N/A PHE 233.A N PRO 192.A O no hydrogen 2.961 N/A ARG 234.A NH1 LEU 210.A O no hydrogen 2.897 N/A ARG 234.A NH2 LEU 210.A O no hydrogen 2.813 N/A ARG 236.A N ALA 223.A O no hydrogen 2.813 N/A ARG 236.A NE GLU 225.A OE2 no hydrogen 2.803 N/A ARG 236.A NH2 GLU 224.A O no hydrogen 3.360 N/A ARG 236.A NH2 GLU 225.A OE2 no hydrogen 3.489 N/A ALA 239.A N MET 235.A O no hydrogen 3.084 N/A LEU 240.A N ARG 236.A O no hydrogen 2.827 N/A LEU 241.A N SER 237.A O no hydrogen 2.865 N/A ALA 242.A N ASP 238.A O no hydrogen 3.030 N/A ARG 243.A N LEU 240.A O no hydrogen 3.033 N/A ARG 243.A NE GLU 311.A OE1 no hydrogen 3.042 N/A ARG 243.A NH1 THR 208.A O no hydrogen 2.825 N/A ARG 243.A NH1 ALA 239.A O no hydrogen 3.022 N/A ARG 243.A NH2 THR 208.A O no hydrogen 2.916 N/A ARG 243.A NH2 GLU 311.A OE1 no hydrogen 2.807 N/A ASP 244.A N LEU 240.A O no hydrogen 2.865 N/A ARG 246.A N ASP 244.A OD1 no hydrogen 2.952 N/A ARG 246.A NE ASP 244.A OD1 no hydrogen 2.904 N/A ARG 246.A NH1 THR 153.A OG1 no hydrogen 2.835 N/A ARG 246.A NH2 THR 153.A OG1 no hydrogen 3.302 N/A ARG 246.A NH2 ASP 244.A OD2 no hydrogen 2.947 N/A THR 247.A N ASP 244.A O no hydrogen 3.015 N/A THR 247.A OG1 LEU 241.A O no hydrogen 2.714 N/A THR 247.A OG1 ASP 244.A O no hydrogen 3.468 N/A ALA 248.A N ASP 244.A O no hydrogen 2.790 N/A CYS 249.A SG SER 316.A OG no hydrogen 3.779 N/A ARG 250.A NE ASP 171.A OD1 no hydrogen 2.889 N/A ARG 250.A NH2 ASP 171.A OD1 no hydrogen 3.353 N/A ARG 250.A NH2 ASP 171.A OD2 no hydrogen 2.875 N/A TRP 251.A N THR 247.A O no hydrogen 3.026 N/A TRP 251.A NE1 THR 208.A OG1 no hydrogen 3.141 N/A GLN 252.A N ALA 248.A O no hydrogen 2.937 N/A GLN 252.A NE2 GLU 317.A O no hydrogen 2.833 N/A SER 253.A N CYS 249.A O no hydrogen 2.944 N/A SER 253.A OG ARG 250.A O no hydrogen 2.724 N/A MET 254.A N ARG 250.A O no hydrogen 3.262 N/A MET 254.A N TRP 251.A O no hydrogen 3.165 N/A THR 255.A N GLN 252.A O no hydrogen 3.127 N/A THR 255.A OG1 GLN 252.A O no hydrogen 2.951 N/A VAL 260.A N SER 257.A OG no hydrogen 3.184 N/A MET 261.A N SER 257.A O no hydrogen 3.038 N/A GLY 262.A N ASN 258.A O no hydrogen 2.973 N/A GLN 263.A N GLU 259.A O no hydrogen 3.226 N/A ARG 264.A N VAL 260.A O no hydrogen 3.082 N/A ARG 264.A NH2 SER 253.A OG no hydrogen 2.652 N/A TYR 265.A N MET 261.A O no hydrogen 2.892 N/A ARG 266.A N GLY 262.A O no hydrogen 2.969 N/A ARG 266.A NE ARG 126.A O no hydrogen 2.634 N/A ALA 267.A N GLN 263.A O no hydrogen 3.010 N/A ALA 268.A N ARG 264.A O no hydrogen 3.051 N/A MET 269.A N TYR 265.A O no hydrogen 2.891 N/A ALA 270.A N ARG 266.A O no hydrogen 3.029 N/A LYS 271.A N ALA 267.A O no hydrogen 3.204 N/A LYS 271.A NZ GLY 163.A O no hydrogen 2.770 N/A LYS 271.A NZ GLU 168.A OE1 no hydrogen 2.820 N/A LYS 271.A NZ GLU 168.A OE2 no hydrogen 3.237 N/A MET 272.A N ALA 268.A O no hydrogen 3.016 N/A SER 273.A N MET 269.A O no hydrogen 2.871 N/A SER 273.A OG ALA 270.A O no hydrogen 2.733 N/A VAL 274.A N LYS 271.A O no hydrogen 3.272 N/A LEU 275.A N MET 272.A O no hydrogen 3.302 N/A PHE 277.A N VAL 274.A O no hydrogen 2.893 N/A ARG 279.A NH1 GLU 128.A OE1 no hydrogen 3.015 N/A ARG 279.A NH2 GLU 128.A OE1 no hydrogen 3.507 N/A ARG 279.A NH2 GLU 128.A OE2 no hydrogen 2.897 N/A ASN 280.A N ASP 278.A OD1 no hydrogen 3.024 N/A ALA 281.A N ASP 278.A O no hydrogen 2.916 N/A LEU 282.A N ARG 279.A O no hydrogen 3.102 N/A THR 283.A N THR 131.A O no hydrogen 2.823 N/A CYS 285.A N PHE 129.A O no hydrogen 2.859 N/A SER 286.A N ASP 284.A OD1 no hydrogen 3.015 N/A SER 286.A OG ASP 284.A OD1 no hydrogen 2.664 N/A VAL 288.A N CYS 285.A O no hydrogen 3.089 N/A ILE 289.A N SER 286.A O no hydrogen 3.043 N/A ALA 297.A N ASN 295.A OD1 no hydrogen 3.008 N/A VAL 300.A N GLN 203.A OE1 no hydrogen 3.117 N/A ILE 301.A N ALA 323.A O no hydrogen 2.820 N/A LEU 305.A N PRO 302.A O no hydrogen 3.331 N/A THR 306.A N ASP 309.A OD2 no hydrogen 2.950 N/A THR 306.A OG1 ASP 308.A OD2 no hydrogen 3.498 N/A THR 306.A OG1 ASP 309.A OD2 no hydrogen 3.543 N/A ASP 308.A N THR 306.A OG1 no hydrogen 3.045 N/A ASP 309.A N THR 306.A O no hydrogen 2.994 N/A ILE 310.A N VAL 307.A O no hydrogen 3.305 N/A GLU 311.A N LEU 209.A O no hydrogen 2.882 N/A SER 313.A OG GLU 311.A O no hydrogen 2.942 N/A CYS 314.A SG SER 316.A OG no hydrogen 3.630 N/A LEU 332.A N PRO 230.A O no hydrogen 2.820 N/A ALA 335.A N ARG 190.A O no hydrogen 2.805 N/A