Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 GLY 74.A O no hydrogen 3.014 N/A PHE 3.A N ASN 1.A OD1 no hydrogen 3.129 N/A LYS 6.A N ASP 4.A OD1 no hydrogen 3.299 N/A ALA 7.A N ASP 4.A O no hydrogen 2.826 N/A TRP 8.A N ALA 5.A O no hydrogen 3.407 N/A ARG 9.A N ARG 24.A O no hydrogen 2.750 N/A VAL 11.A N TYR 22.A O no hydrogen 3.400 N/A LEU 17.A N PHE 14.A O no hydrogen 3.150 N/A THR 18.A N GLU 51.A OE2 no hydrogen 2.812 N/A THR 18.A OG1 ASP 19.A OD1 no hydrogen 2.708 N/A THR 18.A OG1 HIS 47.A NE2 no hydrogen 2.983 N/A ASP 19.A N GLU 51.A OE1 no hydrogen 2.750 N/A THR 21.A N ALA 34.A O no hydrogen 2.832 N/A TYR 22.A OH HIS 58.A ND1 no hydrogen 2.649 N/A HIS 23.A N ARG 32.A O no hydrogen 2.965 N/A ARG 24.A N ARG 9.A O no hydrogen 2.738 N/A ARG 24.A NE ASP 28.A O no hydrogen 3.210 N/A ARG 24.A NH1 ASP 64.A OD2 no hydrogen 2.909 N/A HIS 25.A N THR 30.A O no hydrogen 2.983 N/A VAL 26.A N ALA 7.A O no hydrogen 2.988 N/A ASP 27.A N HIS 25.A ND1 no hydrogen 3.045 N/A ASP 28.A N HIS 25.A ND1 no hydrogen 2.868 N/A VAL 31.A N VAL 67.A O no hydrogen 3.045 N/A ARG 32.A N HIS 23.A O no hydrogen 2.728 N/A ARG 32.A NE GLU 195.A OE1 no hydrogen 2.788 N/A ARG 32.A NE GLU 195.A OE2 no hydrogen 3.134 N/A ARG 32.A NH1 ASN 73.A OD1 no hydrogen 2.842 N/A ARG 32.A NH2 ASN 73.A OD1 no hydrogen 3.103 N/A ARG 32.A NH2 GLU 195.A OE2 no hydrogen 2.580 N/A VAL 33.A N LEU 69.A O no hydrogen 2.787 N/A ALA 34.A N THR 21.A O no hydrogen 2.925 N/A PHE 35.A N THR 71.A O no hydrogen 2.992 N/A ASN 36.A N ASP 19.A O no hydrogen 2.721 N/A ARG 37.A N ASN 42.A OD1 no hydrogen 2.781 N/A ARG 37.A NH1 ALA 43.A O no hydrogen 2.925 N/A ARG 37.A NH1 ASP 89.A OD2 no hydrogen 2.974 N/A ARG 37.A NH2 ASP 89.A OD2 no hydrogen 3.387 N/A VAL 40.A N ARG 37.A O no hydrogen 2.922 N/A ARG 41.A N PRO 38.A O no hydrogen 3.208 N/A ASN 42.A N ARG 37.A O no hydrogen 2.915 N/A ASN 42.A ND2 ASN 73.A O no hydrogen 3.013 N/A ASN 42.A ND2 ALA 83.A O no hydrogen 2.837 N/A ASN 42.A ND2 PHE 84.A O no hydrogen 3.481 N/A ALA 43.A N VAL 40.A O no hydrogen 3.255 N/A PHE 44.A N GLY 87.A O no hydrogen 2.709 N/A ARG 45.A N THR 48.A OG1 no hydrogen 3.034 N/A ARG 45.A NE ASP 19.A OD2 no hydrogen 2.766 N/A ARG 45.A NH2 ASP 19.A OD1 no hydrogen 3.008 N/A ARG 45.A NH2 ASP 19.A OD2 no hydrogen 3.381 N/A HIS 47.A NE2 THR 18.A OG1 no hydrogen 2.983 N/A THR 48.A N ARG 45.A O no hydrogen 2.640 N/A THR 48.A OG1 ASP 19.A OD2 no hydrogen 2.755 N/A VAL 49.A N ARG 45.A O no hydrogen 3.076 N/A ASP 50.A N PRO 46.A O no hydrogen 2.914 N/A GLU 51.A N HIS 47.A O no hydrogen 3.129 N/A LEU 52.A N THR 48.A O no hydrogen 2.713 N/A TYR 53.A N VAL 49.A O no hydrogen 2.758 N/A ARG 54.A N ASP 50.A O no hydrogen 2.991 N/A VAL 55.A N GLU 51.A O no hydrogen 2.961 N/A LEU 56.A N LEU 52.A O no hydrogen 2.963 N/A ASP 57.A N TYR 53.A O no hydrogen 2.877 N/A HIS 58.A N ARG 54.A O no hydrogen 3.049 N/A HIS 58.A ND1 TYR 22.A OH no hydrogen 2.649 N/A ALA 59.A N VAL 55.A O no hydrogen 2.897 N/A ARG 60.A N LEU 56.A O no hydrogen 2.817 N/A ARG 60.A NE ASP 57.A OD1 no hydrogen 2.888 N/A ARG 60.A NH2 ASP 57.A OD1 no hydrogen 2.791 N/A MET 61.A N ASP 57.A O no hydrogen 2.822 N/A SER 62.A N ALA 59.A O no hydrogen 3.153 N/A SER 62.A OG HIS 58.A O no hydrogen 2.855 N/A ASP 64.A N ASP 64.A OD1 no hydrogen 2.546 N/A VAL 65.A N SER 62.A O no hydrogen 3.039 N/A GLY 66.A N ALA 29.A O no hydrogen 2.870 N/A VAL 67.A N ALA 29.A O no hydrogen 3.317 N/A VAL 68.A N VAL 104.A O no hydrogen 3.002 N/A LEU 69.A N VAL 31.A O no hydrogen 2.887 N/A LEU 70.A N ILE 106.A O no hydrogen 2.765 N/A THR 71.A N VAL 33.A O no hydrogen 2.867 N/A THR 71.A OG1 LEU 108.A O no hydrogen 2.723 N/A THR 71.A OG1 ASN 110.A OD1 no hydrogen 3.305 N/A GLY 72.A N THR 71.A OG1 no hydrogen 2.824 N/A GLY 72.A N ASN 110.A OD1 no hydrogen 3.273 N/A ASN 73.A N PHE 35.A O no hydrogen 2.818 N/A ASN 73.A ND2 THR 21.A OG1 no hydrogen 2.810 N/A ASN 73.A ND2 ASN 36.A OD1 no hydrogen 2.914 N/A SER 76.A N GLY 81.A O no hydrogen 2.788 N/A SER 76.A OG ASP 79.A OD1 no hydrogen 3.405 N/A LYS 78.A N SER 76.A OG no hydrogen 3.152 N/A ASP 79.A N SER 76.A OG no hydrogen 3.303 N/A GLY 80.A N SER 76.A O no hydrogen 2.988 N/A GLY 81.A N ASP 79.A OD1 no hydrogen 3.042 N/A CYS 85.A N TRP 112.A O no hydrogen 2.933 N/A CYS 85.A SG ASN 42.A O no hydrogen 3.467 N/A SER 86.A OG ARG 41.A O no hydrogen 2.900 N/A ASP 89.A N PHE 44.A O no hydrogen 2.976 N/A VAL 94.A N HIS 90.A O no hydrogen 3.238 N/A GLN 95.A N ILE 91.A O no hydrogen 2.931 N/A GLN 95.A NE2 ASP 147.A OD2 no hydrogen 3.214 N/A ARG 96.A N LEU 92.A O no hydrogen 3.013 N/A LEU 97.A N GLU 93.A O no hydrogen 2.980 N/A ILE 98.A N VAL 94.A O no hydrogen 2.987 N/A ARG 99.A N GLN 95.A O no hydrogen 2.932 N/A ARG 99.A NE ASP 225.A OD1 no hydrogen 3.475 N/A ARG 99.A NE ASP 225.A OD2 no hydrogen 2.832 N/A ARG 99.A NH2 ASP 225.A OD1 no hydrogen 3.111 N/A ARG 99.A NH2 ASP 225.A OD2 no hydrogen 3.307 N/A PHE 100.A N ARG 96.A O no hydrogen 2.812 N/A MET 101.A N LEU 97.A O no hydrogen 3.074 N/A LYS 103.A NZ ALA 59.A O no hydrogen 2.776 N/A LYS 103.A NZ ARG 60.A O no hydrogen 3.254 N/A LYS 103.A NZ SER 62.A O no hydrogen 2.606 N/A LYS 103.A NZ VAL 65.A O no hydrogen 2.788 N/A VAL 105.A N ASP 125.A OD2 no hydrogen 2.967 N/A ILE 106.A N VAL 68.A O no hydrogen 2.810 N/A CYS 107.A N LEU 126.A O no hydrogen 2.924 N/A CYS 107.A SG LEU 70.A O no hydrogen 3.901 N/A LEU 108.A N LEU 70.A O no hydrogen 2.665 N/A VAL 109.A N LEU 128.A O no hydrogen 2.872 N/A ASN 110.A ND2 ALA 83.A O no hydrogen 3.195 N/A TRP 112.A N TRP 82.A O no hydrogen 3.114 N/A ALA 113.A N ARG 135.A O no hydrogen 2.738 N/A ALA 114.A N CYS 85.A O no hydrogen 2.938 N/A GLY 115.A N LYS 137.A O no hydrogen 3.255 N/A GLY 117.A N ALA 114.A O no hydrogen 2.769 N/A SER 119.A N GLY 115.A O no hydrogen 3.148 N/A SER 119.A OG ASP 147.A OD2 no hydrogen 3.266 N/A LEU 120.A N GLY 116.A O no hydrogen 2.970 N/A HIS 121.A N GLY 117.A O no hydrogen 3.233 N/A HIS 121.A ND1 THR 127.A OG1 no hydrogen 2.741 N/A VAL 122.A N HIS 118.A O no hydrogen 2.971 N/A VAL 123.A N SER 119.A O no hydrogen 3.079 N/A CYS 124.A N LEU 120.A O no hydrogen 3.324 N/A CYS 124.A N HIS 121.A O no hydrogen 3.140 N/A CYS 124.A SG LEU 120.A O no hydrogen 3.276 N/A LEU 126.A N VAL 105.A O no hydrogen 3.225 N/A THR 127.A N ASN 186.A OD1 no hydrogen 2.753 N/A THR 127.A OG1 HIS 121.A ND1 no hydrogen 2.741 N/A LEU 128.A N CYS 107.A O no hydrogen 2.952 N/A ALA 129.A N ALA 187.A O no hydrogen 3.065 N/A SER 130.A N VAL 109.A O no hydrogen 2.875 N/A SER 130.A OG HIS 191.A ND1 no hydrogen 2.832 N/A ARG 131.A N ALA 189.A O no hydrogen 3.010 N/A TYR 133.A N SER 130.A OG no hydrogen 3.044 N/A ALA 134.A N SER 130.A O no hydrogen 2.872 N/A ARG 135.A N GLY 111.A O no hydrogen 3.106 N/A ARG 135.A NH1 GLU 132.A O no hydrogen 3.259 N/A ARG 135.A NH1 ALA 134.A O no hydrogen 2.912 N/A ARG 135.A NH2 GLU 132.A O no hydrogen 3.282 N/A PHE 136.A N TYR 174.A O no hydrogen 2.774 N/A LYS 137.A N ALA 113.A O no hydrogen 3.084 N/A LYS 137.A NZ GLY 171.A O no hydrogen 2.831 N/A LYS 137.A NZ THR 173.A OG1 no hydrogen 2.706 N/A GLN 138.A NE2 GLY 115.A O no hydrogen 3.398 N/A ASP 140.A N GLN 138.A OE1 no hydrogen 2.881 N/A ASP 142.A N THR 139.A O no hydrogen 2.938 N/A VAL 143.A N ASP 140.A O no hydrogen 3.154 N/A GLY 144.A N ALA 141.A O no hydrogen 3.212 N/A SER 145.A N ASP 140.A O no hydrogen 3.008 N/A ASP 147.A N ASP 140.A OD2 no hydrogen 3.023 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 2.797 N/A TYR 150.A OH ASP 225.A OD1 no hydrogen 2.653 N/A GLY 151.A N ASP 147.A OD1 no hydrogen 3.074 N/A SER 152.A N GLY 149.A O no hydrogen 3.389 N/A SER 152.A OG ASP 147.A O no hydrogen 2.624 N/A SER 152.A OG GLY 149.A O no hydrogen 3.523 N/A ALA 153.A N GLY 149.A O no hydrogen 2.960 N/A TYR 154.A N TYR 150.A O no hydrogen 3.242 N/A ALA 156.A N SER 152.A O no hydrogen 3.130 N/A ARG 157.A N TYR 154.A O no hydrogen 2.998 N/A ARG 157.A NH1 ASP 224.A OD1 no hydrogen 2.499 N/A GLN 158.A N LEU 155.A O no hydrogen 2.917 N/A GLN 158.A NE2 VAL 122.A O no hydrogen 2.922 N/A VAL 159.A N LEU 155.A O no hydrogen 3.067 N/A ALA 164.A N GLY 160.A O no hydrogen 3.101 N/A ARG 165.A N GLN 161.A O no hydrogen 3.126 N/A ARG 165.A NE GLN 161.A OE1 no hydrogen 3.006 N/A ARG 165.A NH1 GLN 161.A OE1 no hydrogen 3.015 N/A GLU 166.A N LYS 162.A O no hydrogen 3.040 N/A ILE 167.A N PHE 163.A O no hydrogen 3.003 N/A PHE 168.A N ALA 164.A O no hydrogen 3.143 N/A PHE 169.A N ARG 165.A O no hydrogen 2.813 N/A LEU 170.A N GLU 166.A O no hydrogen 3.022 N/A GLY 171.A N ILE 167.A O no hydrogen 3.117 N/A TYR 174.A N PHE 136.A O no hydrogen 2.761 N/A TYR 174.A OH GLU 166.A OE1 no hydrogen 2.497 N/A THR 175.A N GLN 178.A OE1 no hydrogen 2.862 N/A GLN 178.A N THR 175.A OG1 no hydrogen 2.989 N/A MET 179.A N THR 175.A O no hydrogen 2.920 N/A HIS 180.A N ALA 176.A O no hydrogen 2.897 N/A HIS 180.A ND1 VAL 185.A O no hydrogen 2.919 N/A GLN 181.A N GLU 177.A O no hydrogen 2.944 N/A GLN 181.A NE2 GLU 177.A OE1 no hydrogen 2.746 N/A MET 182.A N GLN 178.A O no hydrogen 3.057 N/A GLY 183.A N MET 179.A O no hydrogen 3.048 N/A GLY 183.A N HIS 180.A O no hydrogen 3.267 N/A ALA 184.A N MET 179.A O no hydrogen 3.030 N/A VAL 185.A N MET 179.A O no hydrogen 3.358 N/A ASN 186.A N THR 127.A O no hydrogen 2.709 N/A ALA 189.A N ALA 129.A O no hydrogen 2.969 N/A HIS 191.A N GLU 132.A OE1 no hydrogen 2.726 N/A HIS 191.A ND1 SER 130.A OG no hydrogen 2.832 N/A LEU 194.A N HIS 191.A O no hydrogen 3.151 N/A VAL 197.A N GLU 193.A O no hydrogen 2.859 N/A GLY 198.A N LEU 194.A O no hydrogen 2.831 N/A LEU 199.A N GLU 195.A O no hydrogen 2.748 N/A GLN 200.A N THR 196.A O no hydrogen 3.018 N/A GLN 200.A NE2 GLU 204.A OE2 no hydrogen 2.806 N/A TRP 201.A N VAL 197.A O no hydrogen 3.056 N/A ALA 202.A N GLY 198.A O no hydrogen 2.964 N/A ALA 203.A N LEU 199.A O no hydrogen 3.015 N/A GLU 204.A N GLN 200.A O no hydrogen 2.998 N/A ILE 205.A N TRP 201.A O no hydrogen 2.906 N/A ASN 206.A N ALA 202.A O no hydrogen 2.796 N/A ASN 206.A ND2 ALA 29.A O no hydrogen 3.139 N/A ALA 207.A N ALA 203.A O no hydrogen 3.006 N/A LYS 208.A N ILE 205.A O no hydrogen 3.309 N/A ALA 212.A N SER 209.A OG no hydrogen 3.120 N/A GLN 213.A N SER 209.A O no hydrogen 2.991 N/A GLN 213.A NE2 ILE 205.A O no hydrogen 2.961 N/A ARG 214.A N PRO 210.A O no hydrogen 3.077 N/A ARG 214.A NE GLU 236.A OE1 no hydrogen 2.964 N/A MET 215.A N GLN 211.A O no hydrogen 3.010 N/A LEU 216.A N ALA 212.A O no hydrogen 2.826 N/A LYS 217.A N GLN 213.A O no hydrogen 2.866 N/A LYS 217.A NZ ILE 98.A O no hydrogen 2.857 N/A LYS 217.A NZ MET 101.A O no hydrogen 2.984 N/A LYS 217.A NZ LYS 103.A O no hydrogen 3.015 N/A LYS 217.A NZ ASP 125.A OD2 no hydrogen 2.825 N/A PHE 218.A N ARG 214.A O no hydrogen 3.033 N/A ALA 219.A N MET 215.A O no hydrogen 2.811 N/A PHE 220.A N LEU 216.A O no hydrogen 3.034 N/A ASN 221.A N LYS 217.A O no hydrogen 3.093 N/A ASN 221.A ND2 ARG 99.A O no hydrogen 2.838 N/A ASP 225.A N ASN 221.A O no hydrogen 2.985 N/A GLY 226.A N LEU 223.A O no hydrogen 3.072 N/A GLY 229.A N ASP 225.A O no hydrogen 3.022 N/A GLN 230.A N GLY 226.A O no hydrogen 2.908 N/A GLN 231.A N LEU 227.A O no hydrogen 2.759 N/A LEU 232.A N VAL 228.A O no hydrogen 2.967 N/A PHE 233.A N GLY 229.A O no hydrogen 3.035 N/A ALA 234.A N GLN 230.A O no hydrogen 2.863 N/A GLY 235.A N GLN 231.A O no hydrogen 2.876 N/A GLU 236.A N LEU 232.A O no hydrogen 3.313 N/A ALA 237.A N PHE 233.A O no hydrogen 3.005 N/A THR 238.A N ALA 234.A O no hydrogen 2.767 N/A THR 238.A OG1 ALA 234.A O no hydrogen 3.045 N/A ARG 239.A N GLY 235.A O no hydrogen 3.122 N/A ARG 239.A NE GLU 236.A OE1 no hydrogen 2.957 N/A ARG 239.A NH2 GLU 236.A OE2 no hydrogen 3.209 N/A LEU 240.A N GLU 236.A O no hydrogen 2.854 N/A ALA 241.A N ALA 237.A O no hydrogen 2.922 N/A TYR 242.A N THR 238.A O no hydrogen 2.922 N/A MET 243.A N LEU 240.A O no hydrogen 3.229 N/A THR 244.A N ALA 241.A O no hydrogen 2.886 N/A THR 244.A OG1 ALA 241.A O no hydrogen 2.746 N/A ALA 247.A N THR 244.A OG1 no hydrogen 3.226 N/A VAL 248.A N THR 244.A O no hydrogen 2.884 N/A GLU 249.A N ASP 245.A O no hydrogen 2.804 N/A GLY 250.A N GLU 246.A O no hydrogen 3.012 N/A ARG 251.A N ALA 247.A O no hydrogen 2.980 N/A ARG 251.A NE ALA 247.A O no hydrogen 3.203 N/A ASP 252.A N VAL 248.A O no hydrogen 2.902 N/A ALA 253.A N GLU 249.A O no hydrogen 2.964 N/A PHE 254.A N GLY 250.A O no hydrogen 3.338 N/A LEU 255.A N ARG 251.A O no hydrogen 3.038 N/A GLN 256.A N ASP 252.A O no hydrogen 2.607 N/A ARG 258.A N ALA 253.A O no hydrogen 2.904 N/A ARG 258.A NE GLN 256.A OE1 no hydrogen 2.744 N/A ARG 258.A NH1 GLU 249.A OE1 no hydrogen 3.456 N/A ARG 258.A NH1 GLU 249.A OE2 no hydrogen 2.615 N/A ARG 258.A NH1 PRO 259.A O no hydrogen 3.540 N/A ARG 258.A NH2 GLU 249.A OE1 no hydrogen 3.140 N/A ARG 258.A NH2 GLN 256.A OE1 no hydrogen 3.251 N/A ASP 261.A N GLU 249.A OE2 no hydrogen 2.804 N/A PHE 265.A N TRP 262.A O no hydrogen 3.034 N/A