Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ary_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N THR 10.A O no hydrogen 2.683 N/A CYS 4.A N GLN 8.A O no hydrogen 2.778 N/A GLY 7.A N CYS 4.A O no hydrogen 2.707 N/A GLN 8.A NE2 GLN 8.A O no hydrogen 3.551 N/A THR 10.A N VAL 2.A O no hydrogen 2.694 N/A THR 10.A OG1 ASP 287.A OD1 no hydrogen 2.884 N/A THR 10.A OG1 ASP 287.A OD2 no hydrogen 3.401 N/A SER 11.A OG ASP 287.A OD2 no hydrogen 2.879 N/A ASN 12.A ND2 GLN 14.A OE1 no hydrogen 3.470 N/A SER 13.A OG ASN 12.A OD1 no hydrogen 3.542 N/A GLN 14.A N ASN 12.A OD1 no hydrogen 2.832 N/A CYS 15.A N ASN 12.A O no hydrogen 3.127 N/A CYS 15.A SG ASN 12.A O no hydrogen 3.786 N/A CYS 15.A SG ASP 284.A O no hydrogen 3.809 N/A CYS 16.A N SER 13.A O no hydrogen 3.228 N/A TRP 18.A N CYS 15.A O no hydrogen 3.003 N/A PHE 19.A N CYS 16.A O no hydrogen 3.057 N/A ASP 20.A N VAL 17.A O no hydrogen 2.863 N/A VAL 21.A N VAL 17.A O no hydrogen 3.222 N/A LEU 22.A N TRP 18.A O no hydrogen 2.828 N/A ASP 23.A N PHE 19.A O no hydrogen 3.230 N/A ASP 24.A N ASP 20.A O no hydrogen 3.167 N/A LEU 25.A N VAL 21.A O no hydrogen 2.954 N/A GLN 26.A N LEU 22.A O no hydrogen 3.056 N/A GLN 26.A NE2 ASN 120.A OD1 no hydrogen 2.820 N/A THR 27.A N ASP 23.A O no hydrogen 3.091 N/A THR 27.A OG1 ASP 23.A O no hydrogen 3.055 N/A ASN 28.A N ASP 24.A O no hydrogen 2.798 N/A TYR 30.A N LEU 25.A O no hydrogen 2.778 N/A TYR 30.A OH ALA 113.A O no hydrogen 2.713 N/A GLN 31.A N ASN 28.A O no hydrogen 2.868 N/A GLY 32.A N GLN 26.A O no hydrogen 2.758 N/A SER 33.A N GLN 26.A O no hydrogen 2.892 N/A LYS 34.A N TYR 30.A O no hydrogen 2.976 N/A LYS 34.A NZ GLN 31.A O no hydrogen 2.911 N/A CYS 35.A SG GLN 198.A O no hydrogen 4.023 N/A SER 37.A N PRO 336.A O no hydrogen 3.079 N/A VAL 39.A N GLU 36.A O no hydrogen 3.089 N/A ARG 40.A N GLU 36.A O no hydrogen 3.474 N/A ARG 40.A NH1 PRO 336.A O no hydrogen 2.834 N/A ARG 40.A NH2 PRO 336.A O no hydrogen 3.015 N/A LYS 41.A N SER 37.A O no hydrogen 2.899 N/A LYS 41.A NZ GLY 87.A O no hydrogen 2.927 N/A LYS 41.A NZ GLU 182.A OE1 no hydrogen 2.824 N/A ILE 42.A N PRO 38.A O no hydrogen 2.926 N/A LEU 43.A N VAL 39.A O no hydrogen 2.967 N/A ARG 44.A N ARG 40.A O no hydrogen 3.294 N/A ARG 44.A NH1 GLY 86.A O no hydrogen 3.080 N/A ARG 44.A NH2 ALA 84.A O no hydrogen 3.032 N/A ARG 44.A NH2 GLY 86.A O no hydrogen 2.966 N/A ILE 45.A N LYS 41.A O no hydrogen 3.042 N/A VAL 46.A N ILE 42.A O no hydrogen 2.933 N/A HIS 48.A N ARG 44.A O no hydrogen 2.909 N/A HIS 48.A ND1 ASN 85.A OD1 no hydrogen 2.776 N/A ASP 49.A N ILE 45.A O no hydrogen 2.791 N/A ALA 50.A N VAL 46.A O no hydrogen 2.944 N/A ILE 51.A N PHE 47.A O no hydrogen 2.888 N/A PHE 53.A N ILE 51.A O no hydrogen 2.717 N/A SER 54.A N GLY 64.A O no hydrogen 2.929 N/A SER 54.A OG ASP 161.A OD2 no hydrogen 2.655 N/A ALA 56.A N ASP 161.A OD1 no hydrogen 3.084 N/A THR 58.A N SER 54.A O no hydrogen 3.128 N/A THR 58.A OG1 SER 54.A O no hydrogen 3.394 N/A ALA 59.A N PRO 55.A O no hydrogen 2.830 N/A ALA 60.A N ALA 56.A O no hydrogen 2.973 N/A GLY 61.A N THR 58.A O no hydrogen 2.802 N/A GLN 62.A N LEU 57.A O no hydrogen 2.900 N/A GLY 67.A N GLY 52.A O no hydrogen 3.074 N/A ALA 68.A N LEU 275.A O no hydrogen 2.997 N/A ASP 69.A N GLY 67.A O no hydrogen 2.797 N/A GLY 70.A N ASP 49.A OD2 no hydrogen 2.925 N/A SER 71.A N ASP 69.A OD1 no hydrogen 3.167 N/A SER 71.A OG ASP 49.A OD1 no hydrogen 3.486 N/A SER 71.A OG ASP 69.A OD1 no hydrogen 3.009 N/A SER 71.A OG GLU 79.A OE2 no hydrogen 2.642 N/A ILE 73.A N GLY 70.A O no hydrogen 2.943 N/A ALA 74.A N GLY 70.A O no hydrogen 3.020 N/A HIS 75.A N SER 71.A O no hydrogen 2.780 N/A HIS 75.A NE2 SER 137.A O no hydrogen 2.896 N/A SER 76.A N ILE 73.A O no hydrogen 3.074 N/A SER 76.A OG ILE 73.A O no hydrogen 3.160 N/A ILE 78.A N HIS 75.A O no hydrogen 3.013 N/A GLU 79.A N HIS 75.A O no hydrogen 2.932 N/A LEU 80.A N SER 76.A O no hydrogen 2.904 N/A ALA 81.A N ILE 78.A O no hydrogen 3.387 N/A PHE 82.A N GLU 79.A O no hydrogen 3.145 N/A ASN 85.A N PHE 82.A O no hydrogen 3.109 N/A ASN 85.A ND2 GLU 79.A O no hydrogen 2.816 N/A ILE 92.A N LEU 88.A O no hydrogen 2.895 N/A GLU 93.A N THR 89.A O no hydrogen 3.014 N/A ALA 94.A N ASP 90.A O no hydrogen 3.199 N/A LEU 95.A N THR 91.A O no hydrogen 3.025 N/A ARG 96.A N ILE 92.A O no hydrogen 2.893 N/A ARG 96.A NE GLU 93.A OE1 no hydrogen 3.021 N/A ARG 96.A NH1 ILE 73.A O no hydrogen 2.981 N/A ARG 96.A NH2 ILE 73.A O no hydrogen 3.479 N/A ARG 96.A NH2 SER 76.A OG no hydrogen 2.710 N/A ARG 96.A NH2 GLU 93.A OE2 no hydrogen 3.003 N/A ALA 97.A N GLU 93.A O no hydrogen 3.244 N/A VAL 98.A N ALA 94.A O no hydrogen 3.384 N/A GLY 99.A N LEU 95.A O no hydrogen 2.972 N/A ILE 100.A N ARG 96.A O no hydrogen 2.976 N/A ASN 101.A N ALA 97.A O no hydrogen 2.939 N/A HIS 102.A N VAL 98.A O no hydrogen 2.934 N/A GLY 103.A N GLY 99.A O no hydrogen 2.921 N/A VAL 104.A N GLY 99.A O no hydrogen 3.334 N/A SER 105.A OG ARG 133.A O no hydrogen 2.797 N/A PHE 106.A N ASN 135.A OD1 no hydrogen 3.124 N/A ASP 108.A N SER 105.A OG no hydrogen 3.348 N/A LEU 109.A N SER 105.A O no hydrogen 2.932 N/A ILE 110.A N PHE 106.A O no hydrogen 3.032 N/A GLN 111.A N GLY 107.A O no hydrogen 3.388 N/A PHE 112.A N ASP 108.A O no hydrogen 2.957 N/A ALA 113.A N LEU 109.A O no hydrogen 2.843 N/A THR 114.A N ILE 110.A O no hydrogen 3.080 N/A THR 114.A OG1 ILE 110.A O no hydrogen 2.849 N/A ALA 115.A N GLN 111.A O no hydrogen 3.046 N/A VAL 116.A N PHE 112.A O no hydrogen 2.913 N/A GLY 117.A N ALA 113.A O no hydrogen 2.869 N/A MET 118.A N THR 114.A O no hydrogen 3.090 N/A SER 119.A N ALA 115.A O no hydrogen 3.177 N/A SER 119.A N VAL 116.A O no hydrogen 3.114 N/A SER 119.A OG VAL 116.A O no hydrogen 2.850 N/A ASN 120.A N GLY 117.A O no hydrogen 2.944 N/A ASN 120.A ND2 GLN 26.A OE1 no hydrogen 2.848 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 3.718 N/A GLY 123.A N VAL 293.A O no hydrogen 3.052 N/A SER 124.A N CYS 121.A O no hydrogen 3.272 N/A SER 124.A OG MET 118.A O no hydrogen 2.843 N/A SER 124.A OG CYS 121.A O no hydrogen 2.851 N/A ARG 126.A NE ILE 289.A O no hydrogen 2.903 N/A ARG 126.A NH2 ILE 289.A O no hydrogen 3.093 N/A PHE 129.A N SER 286.A OG no hydrogen 3.002 N/A THR 131.A N THR 283.A O no hydrogen 2.845 N/A THR 131.A OG1 ASP 108.A OD2 no hydrogen 2.922 N/A GLY 132.A N ASP 108.A OD2 no hydrogen 2.938 N/A ARG 133.A N ASP 108.A OD1 no hydrogen 3.023 N/A ARG 133.A NE SER 273.A O no hydrogen 3.126 N/A ARG 133.A NH1 ASP 108.A OD1 no hydrogen 2.903 N/A ARG 133.A NH1 LEU 130.A O no hydrogen 2.777 N/A ARG 133.A NH2 SER 273.A O no hydrogen 2.980 N/A SER 134.A OG SER 136.A OG no hydrogen 2.902 N/A SER 136.A N SER 134.A OG no hydrogen 3.222 N/A SER 136.A OG SER 134.A OG no hydrogen 2.902 N/A SER 137.A OG HIS 75.A NE2 no hydrogen 3.416 N/A SER 140.A N GLU 79.A OE2 no hydrogen 3.165 N/A SER 140.A OG PRO 141.A O no hydrogen 3.043 N/A ASN 150.A N GLY 147.A O no hydrogen 3.273 N/A ALA 154.A N THR 151.A OG1 no hydrogen 3.311 N/A ILE 155.A N THR 151.A O no hydrogen 3.121 N/A LEU 156.A N VAL 152.A O no hydrogen 2.863 N/A ASP 157.A N THR 153.A O no hydrogen 2.981 N/A ARG 158.A N ALA 154.A O no hydrogen 3.070 N/A ARG 158.A NH1 ILE 51.A O no hydrogen 3.055 N/A ARG 158.A NH1 LEU 144.A O no hydrogen 2.956 N/A ARG 158.A NH2 PHE 53.A O no hydrogen 2.798 N/A ARG 158.A NH2 ASP 161.A OD2 no hydrogen 3.037 N/A MET 159.A N ILE 155.A O no hydrogen 2.904 N/A GLY 160.A N LEU 156.A O no hydrogen 2.692 N/A ASP 161.A N ASP 157.A O no hydrogen 3.002 N/A ALA 162.A N ARG 158.A O no hydrogen 3.178 N/A GLY 163.A N MET 159.A O no hydrogen 3.127 N/A PHE 164.A N MET 159.A O no hydrogen 2.820 N/A SER 165.A N GLU 168.A OE1 no hydrogen 3.063 N/A SER 165.A OG GLU 168.A OE1 no hydrogen 3.263 N/A GLU 168.A N SER 165.A OG no hydrogen 3.282 N/A VAL 169.A N SER 165.A O no hydrogen 3.183 N/A VAL 170.A N PRO 166.A O no hydrogen 3.263 N/A ASP 171.A N ASP 167.A O no hydrogen 3.014 N/A LEU 172.A N GLU 168.A O no hydrogen 2.888 N/A LEU 173.A N VAL 169.A O no hydrogen 3.206 N/A LEU 173.A N VAL 170.A O no hydrogen 3.040 N/A ALA 174.A N ASP 171.A O no hydrogen 3.275 N/A ALA 175.A N LEU 172.A O no hydrogen 3.244 N/A HIS 176.A N LEU 173.A O no hydrogen 3.114 N/A HIS 176.A ND1 ASP 238.A OD2 no hydrogen 2.867 N/A SER 177.A N ALA 174.A O no hydrogen 2.914 N/A SER 177.A OG ASP 194.A OD2 no hydrogen 3.038 N/A SER 177.A OG VAL 199.A O no hydrogen 3.399 N/A SER 177.A OG ASP 201.A O no hydrogen 2.663 N/A LEU 178.A N ALA 175.A O no hydrogen 3.125 N/A GLN 181.A N SER 191.A O no hydrogen 3.193 N/A GLN 181.A NE2 ASN 185.A O no hydrogen 2.932 N/A GLN 181.A NE2 SER 191.A OG no hydrogen 2.860 N/A LEU 184.A N GLN 181.A OE1 no hydrogen 3.084 N/A ASN 185.A N GLN 181.A OE1 no hydrogen 2.896 N/A ILE 188.A N ASN 185.A O no hydrogen 2.984 N/A ARG 190.A N GLN 181.A O no hydrogen 2.934 N/A ARG 190.A NE GLU 182.A OE2 no hydrogen 2.916 N/A ARG 190.A NH2 GLU 182.A OE2 no hydrogen 3.535 N/A SER 191.A N ILE 188.A O no hydrogen 3.015 N/A SER 191.A OG ILE 188.A O no hydrogen 2.921 N/A LEU 193.A N ALA 179.A O no hydrogen 2.944 N/A SER 195.A N GLU 207.A OE1 no hydrogen 2.851 N/A SER 195.A OG GLU 207.A OE1 no hydrogen 3.496 N/A SER 195.A OG GLU 207.A OE2 no hydrogen 2.713 N/A THR 196.A N ASP 194.A OD1 no hydrogen 2.840 N/A THR 196.A OG1 ASP 194.A OD1 no hydrogen 3.118 N/A THR 196.A OG1 ASP 194.A OD2 no hydrogen 3.384 N/A THR 196.A OG1 ASP 201.A OD1 no hydrogen 2.882 N/A THR 196.A OG1 ASP 201.A OD2 no hydrogen 2.886 N/A VAL 199.A N THR 196.A O no hydrogen 3.047 N/A PHE 200.A N PRO 122.A O no hydrogen 2.861 N/A ASP 201.A N SER 177.A OG no hydrogen 3.090 N/A THR 202.A N ASN 258.A OD1 no hydrogen 2.902 N/A THR 202.A OG1 MET 254.A O no hydrogen 2.870 N/A GLN 203.A NE2 GLU 207.A OE2 no hydrogen 3.000 N/A GLN 203.A NE2 VAL 300.A O no hydrogen 2.797 N/A TYR 205.A N THR 202.A O no hydrogen 2.986 N/A TYR 205.A OH VAL 170.A O no hydrogen 2.760 N/A ILE 206.A N THR 202.A O no hydrogen 3.465 N/A GLU 207.A N GLN 203.A O no hydrogen 2.843 N/A THR 208.A N PHE 204.A O no hydrogen 3.175 N/A THR 208.A OG1 PHE 204.A O no hydrogen 2.678 N/A THR 208.A OG1 TYR 205.A O no hydrogen 3.287 N/A LEU 209.A N ILE 206.A O no hydrogen 3.156 N/A LYS 211.A N ASP 309.A O no hydrogen 2.850 N/A LYS 211.A NZ ASP 308.A O no hydrogen 3.189 N/A THR 213.A N SER 227.A O no hydrogen 2.783 N/A THR 213.A OG1 THR 214.A OG1 no hydrogen 3.080 N/A THR 214.A N SER 227.A O no hydrogen 2.826 N/A THR 214.A OG1 THR 213.A OG1 no hydrogen 3.080 N/A GLN 215.A NE2 GLY 217.A O no hydrogen 3.014 N/A GLY 221.A N GLU 224.A OE1 no hydrogen 2.805 N/A PHE 222.A N LEU 184.A O no hydrogen 3.220 N/A GLU 224.A N GLY 221.A O no hydrogen 3.340 N/A GLU 225.A N ARG 234.A O no hydrogen 3.033 N/A SER 227.A N THR 214.A O no hydrogen 2.916 N/A SER 227.A OG PHE 229.A O no hydrogen 3.131 N/A SER 227.A OG GLU 232.A O no hydrogen 2.866 N/A GLU 232.A N PHE 229.A O no hydrogen 3.393 N/A PHE 233.A N PRO 192.A O no hydrogen 2.875 N/A ARG 234.A NH1 LEU 210.A O no hydrogen 2.918 N/A ARG 234.A NH2 GLU 207.A O no hydrogen 2.817 N/A ARG 234.A NH2 LEU 210.A O no hydrogen 2.806 N/A ARG 236.A N ALA 223.A O no hydrogen 2.847 N/A ARG 236.A NE GLU 225.A OE2 no hydrogen 3.063 N/A ARG 236.A NH2 GLU 225.A OE2 no hydrogen 3.269 N/A ALA 239.A N MET 235.A O no hydrogen 3.087 N/A LEU 240.A N ARG 236.A O no hydrogen 2.938 N/A LEU 241.A N SER 237.A O no hydrogen 3.012 N/A ALA 242.A N ASP 238.A O no hydrogen 3.161 N/A ARG 243.A N LEU 240.A O no hydrogen 2.981 N/A ARG 243.A NE GLU 311.A OE1 no hydrogen 2.892 N/A ARG 243.A NH1 THR 208.A O no hydrogen 2.835 N/A ARG 243.A NH1 ALA 239.A O no hydrogen 2.949 N/A ARG 243.A NH2 THR 208.A O no hydrogen 2.870 N/A ARG 243.A NH2 GLU 311.A OE1 no hydrogen 2.851 N/A ASP 244.A N LEU 240.A O no hydrogen 2.792 N/A ARG 246.A N ASP 244.A OD1 no hydrogen 2.986 N/A ARG 246.A NH1 ASP 244.A OD1 no hydrogen 3.162 N/A ARG 246.A NH1 ASP 244.A OD2 no hydrogen 3.014 N/A ARG 246.A NH2 THR 153.A OG1 no hydrogen 2.810 N/A THR 247.A N ASP 244.A O no hydrogen 2.987 N/A THR 247.A OG1 LEU 241.A O no hydrogen 2.651 N/A THR 247.A OG1 ASP 244.A O no hydrogen 3.440 N/A ALA 248.A N ASP 244.A O no hydrogen 2.768 N/A CYS 249.A SG SER 316.A OG no hydrogen 3.600 N/A ARG 250.A NE ASP 171.A OD1 no hydrogen 2.876 N/A ARG 250.A NH2 ASP 171.A OD1 no hydrogen 3.393 N/A ARG 250.A NH2 ASP 171.A OD2 no hydrogen 2.817 N/A TRP 251.A N THR 247.A O no hydrogen 3.077 N/A TRP 251.A NE1 THR 208.A OG1 no hydrogen 3.148 N/A GLN 252.A N ALA 248.A O no hydrogen 3.003 N/A GLN 252.A NE2 GLU 317.A O no hydrogen 2.859 N/A SER 253.A N CYS 249.A O no hydrogen 3.006 N/A SER 253.A OG ARG 250.A O no hydrogen 2.877 N/A MET 254.A N ARG 250.A O no hydrogen 3.151 N/A MET 254.A N TRP 251.A O no hydrogen 3.193 N/A THR 255.A N GLN 252.A O no hydrogen 3.143 N/A THR 255.A OG1 GLN 252.A O no hydrogen 2.813 N/A ASN 258.A ND2 ALA 297.A O no hydrogen 3.693 N/A VAL 260.A N SER 257.A OG no hydrogen 3.014 N/A MET 261.A N SER 257.A O no hydrogen 3.036 N/A GLY 262.A N ASN 258.A O no hydrogen 2.905 N/A GLN 263.A N GLU 259.A O no hydrogen 3.209 N/A ARG 264.A N VAL 260.A O no hydrogen 3.106 N/A ARG 264.A NH2 SER 253.A OG no hydrogen 2.682 N/A TYR 265.A N MET 261.A O no hydrogen 3.023 N/A ARG 266.A N GLY 262.A O no hydrogen 2.992 N/A ARG 266.A NE ARG 126.A O no hydrogen 2.707 N/A ALA 267.A N GLN 263.A O no hydrogen 3.145 N/A ALA 268.A N ARG 264.A O no hydrogen 2.962 N/A MET 269.A N TYR 265.A O no hydrogen 2.799 N/A ALA 270.A N ARG 266.A O no hydrogen 2.968 N/A LYS 271.A N ALA 267.A O no hydrogen 3.214 N/A LYS 271.A NZ GLY 163.A O no hydrogen 2.932 N/A LYS 271.A NZ GLU 168.A OE1 no hydrogen 2.871 N/A LYS 271.A NZ GLU 168.A OE2 no hydrogen 2.979 N/A MET 272.A N ALA 268.A O no hydrogen 3.020 N/A SER 273.A N MET 269.A O no hydrogen 2.940 N/A SER 273.A OG ALA 270.A O no hydrogen 2.744 N/A VAL 274.A N LYS 271.A O no hydrogen 3.339 N/A LEU 275.A N MET 272.A O no hydrogen 3.334 N/A PHE 277.A N VAL 274.A O no hydrogen 2.860 N/A ARG 279.A NH1 GLU 128.A OE1 no hydrogen 2.900 N/A ARG 279.A NH1 GLU 128.A OE2 no hydrogen 3.390 N/A ARG 279.A NH2 GLU 128.A OE2 no hydrogen 2.864 N/A ASN 280.A N ASP 278.A OD1 no hydrogen 3.080 N/A ALA 281.A N ASP 278.A O no hydrogen 2.873 N/A LEU 282.A N ARG 279.A O no hydrogen 3.184 N/A THR 283.A N THR 131.A O no hydrogen 2.826 N/A THR 283.A OG1 GLN 14.A OE1 no hydrogen 2.966 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 2.954 N/A SER 286.A OG PHE 129.A O no hydrogen 3.385 N/A SER 286.A OG ASP 284.A OD1 no hydrogen 2.641 N/A VAL 288.A N CYS 285.A O no hydrogen 3.088 N/A ILE 289.A N SER 286.A O no hydrogen 3.012 N/A ALA 297.A N ASN 295.A OD1 no hydrogen 3.036 N/A VAL 300.A N GLN 203.A OE1 no hydrogen 3.120 N/A ILE 301.A N ALA 323.A O no hydrogen 2.824 N/A LEU 305.A N PRO 302.A O no hydrogen 3.149 N/A THR 306.A N ASP 309.A OD2 no hydrogen 3.069 N/A THR 306.A OG1 ASP 308.A OD2 no hydrogen 2.824 N/A ASP 308.A N THR 306.A OG1 no hydrogen 3.222 N/A ASP 309.A N THR 306.A O no hydrogen 3.023 N/A ILE 310.A N VAL 307.A O no hydrogen 2.998 N/A GLU 311.A N LEU 209.A O no hydrogen 2.871 N/A SER 313.A OG GLU 311.A O no hydrogen 2.871 N/A CYS 314.A SG SER 316.A OG no hydrogen 3.543 N/A LEU 332.A N PRO 230.A O no hydrogen 2.818 N/A ALA 335.A N ARG 190.A O no hydrogen 2.861 N/A