Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qy1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N THR 195.A OG1 no hydrogen 2.837 N/A GLY 6.A N THR 165.A OG1 no hydrogen 2.873 N/A ALA 7.A N GLY 4.A O no hydrogen 2.949 N/A THR 9.A N GLY 6.A O no hydrogen 3.255 N/A THR 9.A OG1 GLY 6.A O no hydrogen 2.728 N/A THR 10.A N ASN 96.A OD1 no hydrogen 2.704 N/A THR 10.A OG1 ASN 96.A OD1 no hydrogen 3.520 N/A GLY 11.A N ASN 96.A OD1 no hydrogen 2.977 N/A GLY 12.A N THR 75.A OG1 no hydrogen 2.736 N/A GLY 13.A N THR 10.A O no hydrogen 2.921 N/A LYS 15.A N GLY 12.A O no hydrogen 3.372 N/A VAL 18.A N VAL 40.A O no hydrogen 2.716 N/A VAL 20.A N ASN 42.A O no hydrogen 2.893 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.803 N/A ALA 25.A N THR 22.A OG1 no hydrogen 3.022 N/A MET 26.A N THR 22.A O no hydrogen 2.998 N/A GLN 27.A N PHE 23.A O no hydrogen 3.172 N/A GLN 27.A NE2 GLN 27.A O no hydrogen 3.455 N/A GLN 27.A NE2 ASP 31.A OD1 no hydrogen 2.783 N/A GLN 27.A NE2 GLN 67.A O no hydrogen 3.134 N/A SER 28.A N GLU 24.A O no hydrogen 2.915 N/A ALA 29.A N ALA 25.A O no hydrogen 3.093 N/A ILE 30.A N MET 26.A O no hydrogen 3.070 N/A ASP 31.A N GLN 27.A O no hydrogen 2.779 N/A SER 32.A N SER 28.A O no hydrogen 2.975 N/A SER 32.A OG SER 28.A O no hydrogen 2.990 N/A TYR 33.A N ALA 29.A O no hydrogen 3.231 N/A TYR 33.A N ILE 30.A O no hydrogen 3.273 N/A TYR 33.A OH SER 72.A O no hydrogen 2.609 N/A SER 34.A OG SER 36.A O no hydrogen 3.253 N/A GLY 37.A N ASP 73.A OD1 no hydrogen 3.019 N/A GLY 38.A N TYR 33.A OH no hydrogen 2.868 N/A LEU 39.A N ASP 73.A O no hydrogen 2.845 N/A LEU 41.A N THR 75.A O no hydrogen 2.792 N/A ASN 42.A N VAL 18.A O no hydrogen 2.880 N/A TYR 43.A N LYS 77.A O no hydrogen 2.960 N/A TYR 43.A OH ALA 83.A O no hydrogen 2.741 N/A THR 44.A N VAL 20.A O no hydrogen 3.018 N/A LYS 46.A NZ GLY 81.A O no hydrogen 3.169 N/A PHE 47.A N ALA 83.A O no hydrogen 2.985 N/A GLY 50.A N ASP 48.A OD1 no hydrogen 3.023 N/A THR 51.A N ASP 48.A O no hydrogen 3.176 N/A THR 51.A OG1 ASP 48.A O no hydrogen 2.630 N/A ILE 52.A N PHE 49.A O no hydrogen 3.081 N/A LYS 53.A NZ GLY 50.A O no hydrogen 2.940 N/A CYS 56.A N ASP 54.A OD1 no hydrogen 3.157 N/A ALA 57.A N ASP 54.A O no hydrogen 3.091 N/A GLN 58.A NE2 LEU 106.A O no hydrogen 2.898 N/A LEU 61.A N GLN 58.A O no hydrogen 3.023 N/A LYS 64.A NZ ASN 85.A O no hydrogen 3.535 N/A THR 65.A OG1 ASP 114.A OD1.B no hydrogen 3.452 N/A VAL 66.A N GLY 87.A O no hydrogen 2.842 N/A GLN 67.A N GLN 27.A OE1 no hydrogen 2.732 N/A ILE 68.A N ARG 89.A O no hydrogen 2.754 N/A ASN 70.A N VAL 91.A O no hydrogen 3.109 N/A LYS 71.A NZ ILE 30.A O no hydrogen 2.714 N/A LYS 71.A NZ TYR 33.A O no hydrogen 2.711 N/A SER 72.A N GLY 35.A O no hydrogen 2.666 N/A ASP 73.A N HIS 95.A O no hydrogen 2.962 N/A VAL 74.A N ASN 96.A O no hydrogen 3.083 N/A THR 75.A N LEU 39.A O no hydrogen 2.817 N/A ILE 76.A N ILE 98.A O no hydrogen 2.737 N/A LYS 77.A N LEU 41.A O no hydrogen 2.944 N/A GLY 78.A N GLN 100.A O no hydrogen 2.880 N/A ALA 79.A N TYR 43.A O no hydrogen 2.865 N/A SER 82.A N ALA 79.A O no hydrogen 3.023 N/A SER 82.A OG ALA 79.A O no hydrogen 2.667 N/A ALA 83.A N GLY 45.A O no hydrogen 2.980 N/A ALA 84.A N THR 103.A O no hydrogen 2.684 N/A GLY 87.A N LYS 64.A O no hydrogen 2.865 N/A ILE 88.A N SER 115.A O no hydrogen 2.777 N/A ARG 89.A N VAL 66.A O no hydrogen 2.767 N/A ARG 89.A NE GLU 119.A OE2 no hydrogen 2.725 N/A ARG 89.A NH1 GLU 119.A OE1 no hydrogen 2.983 N/A ARG 89.A NH2 GLN 67.A OE1 no hydrogen 3.434 N/A VAL 90.A N SER 117.A O no hydrogen 2.761 N/A VAL 91.A N ILE 68.A O no hydrogen 2.926 N/A GLY 92.A N GLU 119.A O no hydrogen 2.978 N/A ASN 93.A N ASN 70.A OD1 no hydrogen 3.085 N/A ALA 94.A N GLY 92.A O no hydrogen 2.761 N/A HIS 95.A N SER 72.A OG no hydrogen 3.004 N/A HIS 95.A ND1 SER 127.A OG no hydrogen 2.567 N/A HIS 95.A NE2 ASN 93.A OD1 no hydrogen 2.702 N/A ASN 96.A N SER 127.A O no hydrogen 3.050 N/A ASN 96.A ND2 THR 10.A OG1 no hydrogen 3.213 N/A ASN 96.A ND2 ASP 73.A OD2 no hydrogen 2.928 N/A VAL 97.A N LYS 128.A O no hydrogen 3.070 N/A ILE 98.A N VAL 74.A O no hydrogen 2.801 N/A ILE 99.A N TRP 130.A O no hydrogen 2.891 N/A GLN 100.A N ILE 76.A O no hydrogen 2.854 N/A GLN 100.A NE2 ASP 132.A OD2 no hydrogen 2.908 N/A ASN 101.A N ASP 132.A O no hydrogen 3.289 N/A ASN 101.A ND2 GLY 78.A O no hydrogen 2.891 N/A MET 102.A N ASN 134.A OD1 no hydrogen 2.856 N/A ILE 104.A N THR 135.A O no hydrogen 2.837 N/A GLY 105.A N ALA 84.A O no hydrogen 3.251 N/A LEU 106.A N PHE 137.A O no hydrogen 2.940 N/A GLN 108.A NE2 PRO 62.A O no hydrogen 2.832 N/A GLY 109.A N GLN 58.A O no hydrogen 3.067 N/A ASP 112.A N GLY 109.A O no hydrogen 2.991 N/A ALA 113.A N GLY 110.A O no hydrogen 2.927 N/A SER 115.A N GLY 153.A O no hydrogen 3.039 N/A SER 115.A OG TYR 174.A OH no hydrogen 3.002 N/A ILE 116.A N GLY 154.A O no hydrogen 2.863 N/A SER 117.A N ILE 88.A O no hydrogen 2.908 N/A SER 117.A OG GLU 119.A OE2 no hydrogen 2.762 N/A LEU 118.A N ASP 156.A O no hydrogen 2.814 N/A GLU 119.A N VAL 90.A O no hydrogen 2.831 N/A GLY 120.A N LYS 158.A O no hydrogen 3.139 N/A ASN 121.A N GLY 124.A O no hydrogen 2.852 N/A ASN 121.A ND2 SER 123.A OG no hydrogen 2.645 N/A SER 123.A OG ASN 70.A OD1 no hydrogen 2.977 N/A GLY 124.A N ASN 121.A O no hydrogen 3.135 N/A SER 127.A N ALA 94.A O no hydrogen 3.388 N/A SER 127.A OG HIS 95.A ND1 no hydrogen 2.567 N/A LYS 128.A NZ TYR 5.A O no hydrogen 2.895 N/A LYS 128.A NZ ALA 7.A O no hydrogen 2.731 N/A ILE 129.A N HIS 163.A O no hydrogen 3.316 N/A TRP 130.A N VAL 97.A O no hydrogen 2.851 N/A TRP 130.A NE1 SER 167.A OG no hydrogen 2.953 N/A VAL 131.A N THR 165.A O no hydrogen 2.918 N/A ASP 132.A N ILE 99.A O no hydrogen 2.912 N/A HIS 133.A N SER 167.A O no hydrogen 3.055 N/A HIS 133.A ND1 ASP 132.A OD2 no hydrogen 2.707 N/A HIS 133.A NE2 ALA 329.A O no hydrogen 2.681 N/A ASN 134.A N ASN 169.A OD1 no hydrogen 2.840 N/A ASN 134.A ND2 ILE 99.A O no hydrogen 2.983 N/A ASN 134.A ND2 ASN 169.A OD1 no hydrogen 3.116 N/A THR 135.A N MET 102.A O no hydrogen 2.853 N/A VAL 136.A N TYR 170.A O no hydrogen 2.759 N/A PHE 137.A N ILE 104.A O no hydrogen 3.042 N/A ALA 138.A N ASN 173.A O no hydrogen 3.114 N/A THR 141.A N SER 139.A OG no hydrogen 3.037 N/A THR 141.A OG1 SER 139.A OG no hydrogen 3.247 N/A LYS 142.A NZ LEU 140.A O no hydrogen 3.097 N/A LYS 142.A NZ GLU 205.A OE1 no hydrogen 2.798 N/A LYS 142.A NZ GLU 205.A OE2 no hydrogen 3.375 N/A CYS 143.A N SER 150.A OG no hydrogen 2.829 N/A ALA 146.A N CYS 143.A O no hydrogen 3.133 N/A ALA 149.A N ALA 146.A O no hydrogen 3.221 N/A SER 150.A OG THR 141.A O no hydrogen 3.526 N/A GLY 154.A N LYS 176.A O no hydrogen 3.244 N/A ILE 155.A N VAL 177.A O no hydrogen 2.835 N/A ASP 156.A N ILE 116.A O no hydrogen 2.789 N/A MET 157.A N LEU 179.A O no hydrogen 2.847 N/A LYS 158.A N LEU 118.A O no hydrogen 3.062 N/A LYS 159.A N ASP 186.A OD2 no hydrogen 2.909 N/A LYS 159.A NZ GLY 120.A O no hydrogen 2.982 N/A HIS 162.A N PRO 126.A O no hydrogen 3.126 N/A HIS 162.A ND1 HIS 163.A ND1 no hydrogen 2.934 N/A HIS 163.A ND1 HIS 162.A ND1 no hydrogen 2.934 N/A VAL 164.A N ARG 193.A O no hydrogen 3.077 N/A THR 165.A N ILE 129.A O no hydrogen 3.034 N/A THR 165.A OG1 VAL 3.A O no hydrogen 2.756 N/A VAL 166.A N THR 195.A O no hydrogen 2.746 N/A SER 167.A N VAL 131.A O no hydrogen 2.949 N/A SER 167.A OG ASP 132.A OD1 no hydrogen 2.724 N/A TYR 168.A N HIS 197.A O no hydrogen 3.045 N/A TYR 168.A OH GLU 330.A OXT no hydrogen 3.128 N/A ASN 169.A ND2 VAL 131.A O no hydrogen 3.006 N/A TYR 170.A N ASN 134.A O no hydrogen 2.791 N/A VAL 171.A N ARG 200.A O no hydrogen 2.886 N/A TYR 172.A N VAL 136.A O no hydrogen 3.125 N/A TYR 174.A N ASN 203.A O no hydrogen 3.428 N/A TYR 174.A OH SER 115.A OG no hydrogen 3.002 N/A TYR 174.A OH ASP 152.A O no hydrogen 3.148 N/A TYR 174.A OH GLY 153.A O no hydrogen 2.641 N/A VAL 177.A N SER 206.A O no hydrogen 3.030 N/A ALA 178.A N ARG 207.A O no hydrogen 2.711 N/A LEU 179.A N ASP 156.A OD1 no hydrogen 2.801 N/A ASN 180.A N LEU 210.A O no hydrogen 2.785 N/A ASN 180.A ND2 THR 194.A OG1 no hydrogen 3.079 N/A ASN 180.A ND2 TYR 196.A OH no hydrogen 2.929 N/A GLY 181.A N MET 157.A O no hydrogen 2.923 N/A TYR 182.A N ASP 186.A OD2 no hydrogen 3.121 N/A SER 183.A OG SER 185.A OG no hydrogen 2.852 N/A SER 185.A N SER 183.A OG no hydrogen 3.200 N/A SER 185.A OG SER 183.A OG no hydrogen 2.852 N/A ASP 186.A N SER 183.A O no hydrogen 3.016 N/A THR 187.A N SER 185.A O no hydrogen 2.825 N/A LYS 188.A NZ GLU 125.A OE2 no hydrogen 2.839 N/A LYS 188.A NZ LYS 159.A O no hydrogen 3.160 N/A ASN 189.A N ASP 186.A O no hydrogen 3.046 N/A SER 190.A N THR 187.A O no hydrogen 3.188 N/A SER 190.A OG THR 187.A O no hydrogen 3.154 N/A ALA 191.A N LYS 188.A O no hydrogen 3.305 N/A ALA 192.A N ASN 189.A O no hydrogen 3.145 N/A ARG 193.A NH1 SER 190.A O no hydrogen 2.909 N/A ARG 193.A NH1 ALA 192.A O no hydrogen 2.952 N/A THR 194.A N LEU 215.A O no hydrogen 3.204 N/A THR 195.A N VAL 164.A O no hydrogen 2.903 N/A THR 195.A OG1 TYR 304.A OH no hydrogen 2.896 N/A TYR 196.A N HIS 217.A O no hydrogen 2.831 N/A HIS 197.A N VAL 166.A O no hydrogen 2.995 N/A HIS 197.A ND1 HIS 198.A ND1 no hydrogen 2.969 N/A HIS 198.A N TYR 219.A O no hydrogen 3.341 N/A HIS 198.A ND1 HIS 197.A ND1 no hydrogen 2.969 N/A HIS 198.A NE2 THR 309.A OG1 no hydrogen 2.781 N/A ASN 199.A N ASN 221.A OD1 no hydrogen 2.910 N/A ARG 200.A N ASN 169.A O no hydrogen 2.708 N/A ARG 200.A NE GLU 202.A OE2 no hydrogen 3.005 N/A ARG 200.A NH2 GLU 202.A OE2 no hydrogen 3.047 N/A PHE 201.A N TYR 222.A O no hydrogen 2.899 N/A GLU 202.A N VAL 171.A O no hydrogen 3.127 N/A ASN 203.A N ASN 224.A O no hydrogen 3.020 N/A VAL 204.A N ASN 225.A O no hydrogen 3.048 N/A GLU 205.A N TYR 174.A O no hydrogen 3.261 N/A SER 206.A N GLN 175.A O no hydrogen 2.912 N/A VAL 208.A N GLY 230.A O no hydrogen 2.947 N/A LEU 210.A N ALA 178.A O no hydrogen 2.795 N/A GLN 211.A N ASN 232.A O no hydrogen 2.775 N/A GLN 211.A NE2 PHE 213.A O no hydrogen 3.129 N/A GLN 211.A NE2 ILE 238.A O no hydrogen 3.324 N/A ARG 212.A N ASN 180.A O no hydrogen 2.722 N/A ARG 212.A NE ASP 184.A OD2 no hydrogen 2.903 N/A ARG 212.A NH1 GLY 181.A O no hydrogen 2.897 N/A PHE 213.A N ARG 234.A O no hydrogen 3.122 N/A LEU 215.A N ALA 192.A O no hydrogen 2.995 N/A SER 216.A N ILE 238.A O no hydrogen 3.037 N/A SER 216.A OG GLN 211.A OE1 no hydrogen 2.678 N/A HIS 217.A N THR 194.A O no hydrogen 2.860 N/A HIS 217.A ND1 TYR 304.A OH no hydrogen 2.729 N/A HIS 217.A NE2 GLU 242.A OE2 no hydrogen 2.933 N/A ILE 218.A N LYS 240.A O no hydrogen 2.804 N/A TYR 219.A N TYR 196.A O no hydrogen 2.973 N/A ASN 220.A N GLU 242.A O no hydrogen 3.212 N/A ASN 221.A ND2 TYR 196.A O no hydrogen 2.949 N/A TYR 222.A N ASN 199.A O no hydrogen 2.966 N/A TYR 222.A OH GLU 247.A OE2 no hydrogen 2.633 N/A PHE 223.A N TYR 245.A O no hydrogen 2.888 N/A ASN 224.A N PHE 201.A O no hydrogen 2.958 N/A ASN 224.A ND2 GLU 247.A O no hydrogen 3.506 N/A ASN 224.A ND2 ASN 248.A OD1 no hydrogen 2.885 N/A VAL 226.A N ASN 248.A O no hydrogen 3.069 N/A THR 227.A N VAL 204.A O no hydrogen 3.074 N/A THR 227.A OG1 VAL 204.A O no hydrogen 3.488 N/A THR 228.A N GLU 205.A O no hydrogen 2.897 N/A SER 229.A N GLU 205.A O no hydrogen 3.119 N/A GLY 230.A N ASN 251.A O no hydrogen 2.776 N/A ILE 231.A N PRO 252.A O no hydrogen 2.796 N/A ASN 232.A N PRO 209.A O no hydrogen 2.917 N/A ASN 232.A ND2 ARG 256.A O no hydrogen 3.467 N/A VAL 233.A N THR 254.A O no hydrogen 2.974 N/A ARG 234.A N GLN 211.A O no hydrogen 2.703 N/A ARG 234.A NE SER 258.A OG no hydrogen 2.788 N/A ARG 234.A NH2 SER 258.A OG no hydrogen 3.417 N/A MET 235.A N GLU 260.A O no hydrogen 2.858 N/A GLY 236.A N ILE 261.A O no hydrogen 2.893 N/A GLY 237.A N ARG 234.A O no hydrogen 3.084 N/A ILE 238.A N GLY 214.A O no hydrogen 3.121 N/A ALA 239.A N TYR 263.A O no hydrogen 3.010 N/A LYS 240.A N SER 216.A O no hydrogen 2.874 N/A ILE 241.A N ASP 265.A O no hydrogen 2.799 N/A GLU 242.A N ILE 218.A O no hydrogen 2.956 N/A SER 243.A N ILE 267.A O no hydrogen 3.061 N/A TYR 245.A N ASN 221.A O no hydrogen 2.882 N/A PHE 246.A N TYR 270.A O no hydrogen 2.859 N/A GLU 247.A N PHE 223.A O no hydrogen 3.162 N/A ASN 248.A N SER 273.A O no hydrogen 2.962 N/A ILE 249.A N GLY 274.A O no hydrogen 3.070 N/A LYS 250.A N VAL 226.A O no hydrogen 2.854 N/A ASN 251.A N THR 276.A O no hydrogen 2.895 N/A ASN 251.A ND2 GLY 278.A O no hydrogen 3.263 N/A THR 254.A N ILE 231.A O no hydrogen 2.889 N/A THR 254.A OG1 ALA 287.A O no hydrogen 2.817 N/A THR 254.A OG1 ASN 288.A OD1 no hydrogen 2.900 N/A SER 255.A N ALA 287.A O no hydrogen 2.929 N/A SER 255.A OG VAL 233.A O no hydrogen 2.619 N/A ARG 256.A N ASN 232.A OD1 no hydrogen 2.988 N/A ARG 256.A NE THR 254.A OG1 no hydrogen 3.070 N/A ARG 256.A NH2 GLY 278.A O no hydrogen 2.775 N/A ARG 256.A NH2 ASN 288.A OD1 no hydrogen 2.902 N/A SER 258.A OG ASP 184.A OD1 no hydrogen 3.450 N/A SER 258.A OG ASP 184.A OD2 no hydrogen 2.674 N/A SER 259.A N ASP 184.A OD1 no hydrogen 3.153 N/A GLY 262.A N SER 255.A OG no hydrogen 2.914 N/A TYR 263.A N GLY 237.A O no hydrogen 2.817 N/A TRP 264.A N THR 295.A OG1 no hydrogen 2.895 N/A ASP 265.A N ALA 239.A O no hydrogen 2.876 N/A LEU 266.A N SER 294.A OG no hydrogen 2.736 N/A ILE 267.A N ILE 241.A O no hydrogen 3.160 N/A ASN 269.A ND2 ASN 244.A OD1 no hydrogen 2.933 N/A TYR 270.A N ASN 244.A O no hydrogen 2.725 N/A GLY 272.A N PHE 246.A O no hydrogen 2.717 N/A THR 276.A N ILE 249.A O no hydrogen 3.014 N/A LYS 284.A NZ ASP 257.A O no hydrogen 3.475 N/A ALA 287.A N SER 255.A O no hydrogen 2.925 N/A ASN 288.A ND2 GLY 278.A O no hydrogen 2.944 N/A ALA 289.A N VAL 253.A O no hydrogen 3.097 N/A TRP 292.A N ALA 289.A O no hydrogen 3.102 N/A THR 295.A N TRP 264.A O no hydrogen 2.838 N/A LYS 296.A N TRP 264.A O no hydrogen 3.218 N/A PHE 298.A N ASP 265.A OD2 no hydrogen 2.928 N/A GLY 303.A N SER 301.A OG no hydrogen 3.271 N/A TYR 304.A OH THR 195.A OG1 no hydrogen 2.896 N/A TYR 304.A OH HIS 217.A ND1 no hydrogen 2.729 N/A TYR 306.A OH GLU 242.A OE2 no hydrogen 2.737 N/A THR 309.A OG1 HIS 198.A NE2 no hydrogen 2.781 N/A GLN 313.A N PRO 310.A O no hydrogen 2.819 N/A VAL 314.A N ALA 311.A O no hydrogen 3.160 N/A LYS 315.A NZ GLU 247.A OE2 no hydrogen 2.906 N/A LYS 317.A N GLN 313.A O no hydrogen 2.956 N/A LYS 317.A NZ GLU 330.A O no hydrogen 2.819 N/A LYS 317.A NZ GLU 330.A OXT no hydrogen 3.237 N/A VAL 318.A N VAL 314.A O no hydrogen 2.781 N/A ILE 319.A N LYS 315.A O no hydrogen 3.012 N/A ALA 320.A N ALA 316.A O no hydrogen 3.036 N/A THR 321.A N VAL 318.A O no hydrogen 3.163 N/A THR 321.A OG1 LYS 317.A O no hydrogen 2.784 N/A ALA 322.A N VAL 318.A O no hydrogen 2.807 N/A GLY 323.A N TYR 168.A O no hydrogen 2.718 N/A ALA 324.A N THR 135.A OG1 no hydrogen 2.783 N/A GLY 325.A N ASN 101.A OD1 no hydrogen 2.944 N/A LYS 326.A NZ ILE 319.A O no hydrogen 3.315 N/A LYS 326.A NZ ALA 322.A O no hydrogen 2.773 N/A ALA 329.A N LYS 326.A O no hydrogen 3.158 N/A