Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1dqn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N LYS 8.A O no hydrogen 2.812 N/A CYS 3.A SG THR 6.A OG1 no hydrogen 3.238 N/A CYS 3.A SG THR 37.A OG1 no hydrogen 3.249 N/A SER 4.A N GLU 40.A OE2 no hydrogen 2.889 N/A SER 4.A OG GLU 40.A OE2 no hydrogen 2.648 N/A GLY 7.A N CYS 3.A O no hydrogen 2.851 N/A LYS 8.A N THR 6.A OG1 no hydrogen 3.104 N/A LYS 8.A NZ THR 16.A OG1 no hydrogen 3.019 N/A VAL 10.A N MET 1.A O no hydrogen 2.781 N/A ASP 12.A N PRO 9.A O no hydrogen 2.865 N/A VAL 13.A N PRO 9.A O no hydrogen 3.001 N/A LEU 14.A N VAL 10.A O no hydrogen 2.885 N/A SER 15.A N LYS 11.A O no hydrogen 2.896 N/A SER 15.A OG ASP 12.A O no hydrogen 3.029 N/A THR 16.A N ASP 12.A O no hydrogen 3.134 N/A THR 16.A OG1 ASP 12.A O no hydrogen 3.049 N/A PHE 17.A N VAL 13.A O no hydrogen 2.908 N/A PHE 18.A N LEU 14.A O no hydrogen 2.854 N/A LYS 19.A N THR 16.A O no hydrogen 3.493 N/A ARG 21.A NE ASP 23.A OD1 no hydrogen 3.470 N/A ARG 21.A NE ASP 23.A OD2 no hydrogen 2.778 N/A ARG 21.A NH1 PHE 17.A O no hydrogen 3.089 N/A ARG 21.A NH2 ASP 23.A OD1 no hydrogen 2.930 N/A LEU 25.A N GLU 28.A OE1 no hydrogen 2.936 N/A GLU 28.A N LEU 25.A O no hydrogen 2.795 N/A VAL 29.A N LEU 25.A O no hydrogen 3.312 N/A VAL 29.A N GLU 26.A O no hydrogen 3.321 N/A LYS 30.A NZ SER 27.A O no hydrogen 3.499 N/A LYS 31.A N GLU 28.A O no hydrogen 2.913 N/A PHE 32.A N VAL 29.A O no hydrogen 3.128 N/A HIS 33.A N ASP 200.A O no hydrogen 2.805 N/A HIS 33.A ND1 ASP 200.A OD2 no hydrogen 2.970 N/A LEU 35.A N LEU 198.A O no hydrogen 2.798 N/A ALA 36.A N LEU 198.A O no hydrogen 3.232 N/A THR 37.A N GLU 40.A OE1 no hydrogen 2.843 N/A PHE 38.A N HIS 197.A ND1 no hydrogen 2.870 N/A GLU 40.A N THR 37.A OG1 no hydrogen 3.043 N/A CYS 41.A N THR 37.A O no hydrogen 2.874 N/A CYS 41.A SG THR 37.A O no hydrogen 3.524 N/A LYS 42.A N PHE 38.A O no hydrogen 2.804 N/A ALA 43.A N GLU 39.A O no hydrogen 3.012 N/A LEU 44.A N GLU 40.A O no hydrogen 3.074 N/A ALA 45.A N CYS 41.A O no hydrogen 2.937 N/A ALA 46.A N LYS 42.A O no hydrogen 2.891 N/A ASP 47.A N ALA 43.A O no hydrogen 2.895 N/A THR 48.A N LEU 44.A O no hydrogen 2.984 N/A THR 48.A OG1 LEU 44.A O no hydrogen 2.900 N/A ALA 49.A N ALA 45.A O no hydrogen 2.846 N/A ARG 50.A N ALA 46.A O no hydrogen 2.858 N/A ARG 50.A NE ASP 47.A OD2 no hydrogen 2.982 N/A ARG 50.A NH2 ASP 47.A OD1 no hydrogen 3.485 N/A ARG 50.A NH2 ASP 47.A OD2 no hydrogen 2.839 N/A ARG 51.A N ASP 47.A O no hydrogen 3.275 N/A ARG 51.A NE ASP 47.A OD1 no hydrogen 3.251 N/A ARG 51.A NH1 TYR 170.A O no hydrogen 2.928 N/A ARG 51.A NH2 ASP 47.A OD1 no hydrogen 2.790 N/A ARG 51.A NH2 TYR 170.A O no hydrogen 2.911 N/A MET 52.A N THR 48.A O no hydrogen 2.999 N/A ASN 53.A N ALA 49.A O no hydrogen 2.788 N/A ASN 53.A ND2 HIS 82.A O no hydrogen 2.959 N/A GLU 54.A N ARG 50.A O no hydrogen 3.107 N/A TYR 55.A N ARG 51.A O no hydrogen 3.053 N/A TYR 56.A N MET 52.A O no hydrogen 2.894 N/A TYR 56.A OH GLU 120.A OE2 no hydrogen 2.770 N/A LYS 57.A NZ GLU 54.A OE1 no hydrogen 2.422 N/A VAL 59.A N TYR 56.A O no hydrogen 3.098 N/A VAL 63.A N PRO 86.A O no hydrogen 2.915 N/A THR 64.A N GLU 120.A O no hydrogen 2.941 N/A LEU 65.A N THR 88.A O no hydrogen 2.956 N/A VAL 66.A N VAL 122.A O no hydrogen 2.898 N/A ALA 67.A N HIS 90.A O no hydrogen 3.008 N/A LEU 68.A N ILE 124.A O no hydrogen 3.252 N/A LEU 69.A N VAL 92.A O no hydrogen 3.049 N/A TYR 73.A N THR 70.A O no hydrogen 3.188 N/A ALA 76.A N ALA 72.A O no hydrogen 2.823 N/A SER 77.A N TYR 73.A O no hydrogen 3.024 N/A SER 77.A OG LEU 74.A O no hydrogen 2.510 N/A LEU 78.A N LEU 74.A O no hydrogen 3.042 N/A LEU 79.A N TYR 75.A O no hydrogen 2.904 N/A THR 80.A N ALA 76.A O no hydrogen 2.958 N/A THR 80.A OG1 ALA 76.A O no hydrogen 2.746 N/A HIS 82.A N LEU 79.A O no hydrogen 3.008 N/A LEU 83.A N THR 80.A O no hydrogen 3.113 N/A THR 84.A N ASN 53.A OD1 no hydrogen 2.803 N/A TYR 87.A OH THR 80.A O no hydrogen 3.358 N/A THR 88.A N VAL 63.A O no hydrogen 2.888 N/A HIS 90.A N LEU 65.A O no hydrogen 3.173 N/A VAL 92.A N ALA 67.A O no hydrogen 2.976 N/A SER 95.A N VAL 106.A O no hydrogen 3.176 N/A TYR 97.A N SER 104.A O no hydrogen 2.799 N/A GLY 99.A N GLN 102.A O no hydrogen 2.867 N/A GLN 102.A NE2 GLU 103.A O no hydrogen 3.599 N/A GLN 102.A NE2 GLU 139.A OE2 no hydrogen 3.002 N/A SER 104.A N TYR 97.A O no hydrogen 2.887 N/A VAL 105.A N SER 136.A OG no hydrogen 2.732 N/A VAL 106.A N SER 95.A O no hydrogen 2.803 N/A ASP 111.A N ASP 108.A OD2 no hydrogen 3.166 N/A LEU 112.A N ASP 108.A O no hydrogen 3.035 N/A LYS 113.A N GLU 109.A O no hydrogen 2.997 N/A GLN 114.A N GLU 110.A O no hydrogen 3.043 N/A LEU 115.A N ASP 111.A O no hydrogen 3.077 N/A LYS 116.A N LEU 112.A O no hydrogen 3.087 N/A LYS 116.A NZ GLN 140.A O no hydrogen 2.859 N/A GLU 117.A N GLN 114.A O no hydrogen 3.218 N/A LYS 118.A N LEU 115.A O no hydrogen 3.029 N/A LYS 118.A NZ GLN 114.A O no hydrogen 3.121 N/A VAL 122.A N THR 64.A O no hydrogen 2.901 N/A LEU 123.A N LYS 145.A O no hydrogen 2.855 N/A ILE 124.A N VAL 66.A O no hydrogen 2.720 N/A ASP 125.A N CYS 147.A O no hydrogen 3.059 N/A GLU 126.A N ASP 125.A OD2 no hydrogen 3.030 N/A VAL 128.A N PHE 150.A O no hydrogen 2.936 N/A HIS 132.A N SER 130.A OG no hydrogen 3.208 N/A PHE 135.A N GLY 131.A O no hydrogen 2.774 N/A SER 136.A N HIS 132.A O no hydrogen 3.022 N/A ILE 137.A N THR 133.A O no hydrogen 3.011 N/A GLN 138.A N ILE 134.A O no hydrogen 2.745 N/A GLN 138.A NE2 LYS 142.A O no hydrogen 3.046 N/A GLU 139.A N PHE 135.A O no hydrogen 3.185 N/A GLN 140.A N SER 136.A O no hydrogen 3.271 N/A GLN 140.A N ILE 137.A O no hydrogen 3.020 N/A GLN 140.A NE2 VAL 105.A O no hydrogen 2.769 N/A GLN 140.A NE2 SER 136.A O no hydrogen 3.343 N/A GLN 140.A NE2 SER 136.A OG no hydrogen 3.168 N/A ILE 141.A N ILE 137.A O no hydrogen 2.807 N/A ALA 144.A N ILE 141.A O no hydrogen 2.980 N/A LYS 145.A N VAL 121.A O no hydrogen 2.887 N/A LYS 145.A NZ GLU 120.A OE2 no hydrogen 2.841 N/A ILE 146.A N LYS 167.A O no hydrogen 2.984 N/A CYS 147.A N LEU 123.A O no hydrogen 2.759 N/A CYS 147.A SG TYR 75.A OH no hydrogen 3.233 N/A CYS 147.A SG PHE 169.A O no hydrogen 3.810 N/A SER 148.A N PHE 169.A O no hydrogen 2.860 N/A SER 148.A OG ASP 125.A O no hydrogen 3.382 N/A SER 148.A OG PHE 150.A O no hydrogen 2.863 N/A PHE 150.A N GLU 126.A O no hydrogen 3.034 N/A VAL 151.A N TYR 172.A O no hydrogen 2.958 N/A LYS 152.A N VAL 128.A O no hydrogen 2.868 N/A LYS 152.A NZ ASP 129.A OD1 no hydrogen 2.687 N/A ALA 156.A N ASP 153.A OD2 no hydrogen 3.062 N/A ILE 157.A N ASP 153.A O no hydrogen 3.228 N/A LYS 158.A N VAL 154.A O no hydrogen 2.789 N/A LYS 159.A N ASP 155.A O no hydrogen 2.912 N/A LYS 159.A N ALA 156.A O no hydrogen 3.242 N/A LYS 159.A NZ ASP 155.A O no hydrogen 3.469 N/A HIS 160.A N ILE 157.A O no hydrogen 3.266 N/A LEU 163.A N HIS 160.A O no hydrogen 2.944 N/A THR 166.A N LEU 163.A O no hydrogen 3.074 N/A THR 166.A OG1 LEU 163.A O no hydrogen 2.750 N/A PHE 169.A N ILE 146.A O no hydrogen 2.710 N/A GLY 171.A N SER 148.A O no hydrogen 3.035 N/A TYR 172.A N CYS 149.A O no hydrogen 2.808 N/A THR 173.A OG1 VAL 151.A O no hydrogen 2.651 N/A MET 175.A N LYS 152.A O no hydrogen 3.019 N/A SER 179.A OG PRO 176.A O no hydrogen 2.899 N/A TRP 180.A N ASP 200.A OD1 no hydrogen 2.958 N/A ILE 182.A N PHE 199.A O no hydrogen 2.937 N/A GLY 183.A N LEU 186.A O no hydrogen 2.832 N/A PHE 184.A N TRP 195.A O no hydrogen 2.743 N/A GLY 185.A N ARG 193.A O no hydrogen 2.898 N/A LEU 186.A N GLY 183.A O no hydrogen 2.904 N/A ASP 188.A N LEU 191.A O no hydrogen 2.726 N/A GLY 190.A N ASP 187.A OD2 no hydrogen 2.655 N/A LEU 191.A N ASP 188.A O no hydrogen 3.031 N/A ARG 192.A NH2 ASP 23.A O no hydrogen 2.999 N/A ARG 193.A NH1 GLY 185.A O no hydrogen 2.894 N/A TRP 195.A N ARG 192.A O no hydrogen 3.069 N/A TRP 195.A NE1 ASP 23.A OD1 no hydrogen 2.915 N/A LEU 198.A N ALA 36.A O no hydrogen 2.842 N/A PHE 199.A N ILE 182.A O no hydrogen 2.898 N/A ASP 200.A N HIS 33.A O no hydrogen 2.742 N/A ILE 201.A N TRP 180.A O no hydrogen 2.981 N/A ASN 202.A N ASP 200.A OD1 no hydrogen 3.053 N/A ASN 202.A ND2 GLY 178.A O no hydrogen 2.853 N/A LEU 203.A N ASP 200.A OD2 no hydrogen 2.726 N/A SER 204.A N GLU 207.A OE2 no hydrogen 2.751 N/A SER 204.A OG GLU 207.A OE2 no hydrogen 3.137 N/A GLU 207.A N SER 204.A OG no hydrogen 3.227 N/A VAL 208.A N SER 204.A O no hydrogen 3.036 N/A THR 209.A N GLU 205.A O no hydrogen 2.859 N/A THR 209.A OG1 GLU 205.A O no hydrogen 3.110 N/A GLU 210.A N SER 206.A O no hydrogen 2.905 N/A PHE 211.A N GLU 207.A O no hydrogen 2.943 N/A ARG 212.A N VAL 208.A O no hydrogen 2.991 N/A ARG 212.A NH1 LEU 35.A O no hydrogen 2.832 N/A ARG 212.A NH1 GLU 40.A OE1 no hydrogen 2.899 N/A ARG 212.A NH2 ILE 2.A O no hydrogen 3.076 N/A ARG 212.A NH2 GLU 40.A OE1 no hydrogen 3.523 N/A ARG 212.A NH2 GLU 40.A OE2 no hydrogen 2.957 N/A ARG 213.A N THR 209.A O no hydrogen 2.972 N/A ARG 213.A NE GLU 210.A OE2 no hydrogen 2.881 N/A ARG 213.A NH2 GLU 210.A OE1 no hydrogen 2.685 N/A ARG 213.A NH2 GLU 210.A OE2 no hydrogen 3.512 N/A ARG 214.A N GLU 210.A O no hydrogen 3.178 N/A LEU 215.A N PHE 211.A O no hydrogen 2.890 N/A THR 216.A N ARG 212.A O no hydrogen 2.805 N/A THR 216.A OG1 ARG 212.A O no hydrogen 3.005 N/A GLU 217.A N ARG 213.A O no hydrogen 3.281 N/A HIS 218.A N ARG 214.A O no hydrogen 3.137 N/A ILE 219.A N LEU 215.A O no hydrogen 2.856 N/A LYS 220.A N THR 216.A O no hydrogen 2.962 N/A GLY 221.A N HIS 218.A O no hydrogen 3.172 N/A LEU 222.A N ILE 219.A O no hydrogen 3.060 N/A VAL 227.A N ILE 224.A O no hydrogen 3.029 N/A TYR 230.A N ASN 228.A OD1 no hydrogen 3.015 N/A TYR 230.A OH VAL 81.A O no hydrogen 2.650 N/A