Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u6q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N ARG 75.A O no hydrogen 2.788 N/A GLN 2.A N GLU 5.A OE1 no hydrogen 2.981 N/A VAL 6.A N GLN 2.A O no hydrogen 2.846 N/A GLU 7.A N LEU 3.A O no hydrogen 2.849 N/A THR 8.A N PRO 4.A O no hydrogen 3.100 N/A THR 8.A OG1 PRO 4.A O no hydrogen 3.110 N/A ILE 9.A N GLU 5.A O no hydrogen 2.872 N/A ARG 10.A N VAL 6.A O no hydrogen 2.838 N/A ARG 10.A NE GLU 7.A OE2 no hydrogen 3.085 N/A ARG 10.A NH1 LEU 54.A O no hydrogen 2.936 N/A ARG 10.A NH2 GLU 7.A OE2 no hydrogen 3.413 N/A ARG 11.A N GLU 7.A O no hydrogen 3.089 N/A THR 12.A N THR 8.A O no hydrogen 2.979 N/A THR 12.A OG1 THR 8.A O no hydrogen 3.027 N/A THR 12.A OG1 ILE 9.A O no hydrogen 3.293 N/A LEU 13.A N ILE 9.A O no hydrogen 2.809 N/A LEU 14.A N ARG 10.A O no hydrogen 3.279 N/A LEU 16.A N LEU 13.A O no hydrogen 2.867 N/A ILE 17.A N LEU 14.A O no hydrogen 3.020 N/A VAL 18.A N LEU 14.A O no hydrogen 2.782 N/A GLY 19.A N VAL 51.A O no hydrogen 2.772 N/A LYS 20.A N ILE 17.A O no hydrogen 3.077 N/A LYS 20.A NZ LEU 16.A O no hydrogen 2.834 N/A LYS 20.A NZ SER 103.A OG no hydrogen 2.869 N/A THR 21.A OG1 THR 50.A OG1 no hydrogen 2.665 N/A ILE 22.A N GLN 49.A O no hydrogen 2.807 N/A GLU 23.A N CYS 98.A O no hydrogen 2.745 N/A ASP 24.A N CYS 98.A O no hydrogen 3.272 N/A VAL 25.A N ASP 24.A OD2 no hydrogen 2.890 N/A ARG 26.A N VAL 96.A O no hydrogen 2.856 N/A ARG 26.A NE ASP 24.A OD1 no hydrogen 3.126 N/A PHE 28.A N HIS 94.A O no hydrogen 2.761 N/A ILE 32.A N TRP 29.A O no hydrogen 3.166 N/A ILE 33.A N PRO 30.A O no hydrogen 2.856 N/A ARG 34.A N MET 116.A O no hydrogen 2.764 N/A ARG 34.A NE ASN 31.A O no hydrogen 2.897 N/A HIS 35.A ND1 VAL 118.A O no hydrogen 2.954 N/A GLU 40.A N ASP 38.A OD1 no hydrogen 2.817 N/A ALA 41.A N ASP 38.A O no hydrogen 2.997 N/A PHE 42.A N ASP 38.A O no hydrogen 3.144 N/A ALA 43.A N SER 39.A O no hydrogen 2.973 N/A ALA 44.A N GLU 40.A O no hydrogen 2.924 N/A ARG 45.A N ALA 41.A O no hydrogen 3.065 N/A ARG 45.A NE ASP 68.A OD1 no hydrogen 2.904 N/A ARG 45.A NH2 ASP 68.A OD1 no hydrogen 3.548 N/A ARG 45.A NH2 ASP 68.A OD2 no hydrogen 2.846 N/A MET 46.A N ALA 43.A O no hydrogen 3.279 N/A GLY 48.A N ILE 22.A O no hydrogen 2.760 N/A GLN 49.A N MET 46.A O no hydrogen 3.070 N/A GLN 49.A NE2 ARG 45.A O no hydrogen 2.880 N/A GLN 49.A NE2 ASP 68.A OD1 no hydrogen 2.876 N/A THR 50.A N ASP 66.A OD1 no hydrogen 2.802 N/A THR 50.A OG1 THR 21.A OG1 no hydrogen 2.665 N/A VAL 51.A N LYS 20.A O no hydrogen 2.879 N/A ARG 52.A N LEU 64.A O no hydrogen 2.731 N/A ARG 52.A NE ASP 66.A OD2 no hydrogen 2.793 N/A ARG 52.A NH2 ASP 66.A OD2 no hydrogen 3.110 N/A GLY 53.A N LEU 64.A O no hydrogen 3.176 N/A GLU 55.A N LYS 62.A O no hydrogen 2.930 N/A ARG 56.A NE GLU 7.A OE1 no hydrogen 2.721 N/A ARG 56.A NH1 GLY 58.A O no hydrogen 2.890 N/A ARG 56.A NH1 GLU 136.A OE2 no hydrogen 2.811 N/A ARG 56.A NH2 GLU 136.A OE2 no hydrogen 3.270 N/A ARG 57.A N PHE 60.A O no hydrogen 2.852 N/A ARG 57.A NE.A GLU 136.A OE1 no hydrogen 2.934 N/A ARG 57.A NH1.A GLY 134.A O no hydrogen 2.818 N/A ARG 57.A NH1.A GLU 136.A OE1 no hydrogen 2.834 N/A ARG 57.A NH1.B ASP 125.A OD2 no hydrogen 2.829 N/A ARG 57.A NH2.A GLY 134.A O no hydrogen 3.231 N/A GLY 58.A N GLU 136.A OE1 no hydrogen 2.727 N/A LYS 59.A NZ GLY 170.A O no hydrogen 3.195 N/A PHE 60.A N ARG 57.A O no hydrogen 2.836 N/A LEU 61.A N SER 72.A O no hydrogen 2.811 N/A LYS 62.A N GLU 55.A O no hydrogen 2.730 N/A LYS 62.A NZ ASP 125.A OD1 no hydrogen 3.486 N/A LYS 62.A NZ ASP 125.A OD2 no hydrogen 2.791 N/A PHE 63.A N LEU 70.A O no hydrogen 2.786 N/A LEU 64.A N GLY 53.A O no hydrogen 2.834 N/A LEU 65.A N ASP 68.A O no hydrogen 2.845 N/A ARG 67.A N GLN 49.A OE1 no hydrogen 2.795 N/A ASP 68.A N GLN 49.A OE1 no hydrogen 3.024 N/A ALA 69.A N TYR 119.A O no hydrogen 2.792 N/A LEU 70.A N PHE 63.A O no hydrogen 2.776 N/A ILE 71.A N HIS 117.A O no hydrogen 2.695 N/A SER 72.A N LEU 61.A O no hydrogen 2.768 N/A SER 72.A OG TYR 80.A OH no hydrogen 2.637 N/A HIS 73.A N THR 115.A O no hydrogen 3.053 N/A ARG 75.A N HIS 73.A ND1 no hydrogen 2.842 N/A GLY 78.A N LEU 74.A O no hydrogen 3.017 N/A ARG 79.A N ARG 108.A O.A no hydrogen 2.642 N/A ARG 79.A N ARG 108.A O.B no hydrogen 2.770 N/A TYR 80.A OH SER 72.A OG no hydrogen 2.637 N/A ALA 81.A N ARG 106.A O no hydrogen 2.940 N/A ALA 83.A N GLU 104.A O no hydrogen 2.986 N/A ALA 85.A N GLY 102.A O no hydrogen 2.918 N/A LEU 86.A N SER 84.A OG no hydrogen 3.017 N/A GLU 87.A N SER 84.A O no hydrogen 3.183 N/A THR 93.A OG1 GLU 90.A O no hydrogen 2.665 N/A HIS 94.A N TYR 107.A O no hydrogen 2.906 N/A HIS 94.A NE2 ASP 109.A O no hydrogen 2.626 N/A VAL 96.A N ARG 26.A O no hydrogen 2.897 N/A PHE 97.A N LEU 105.A O no hydrogen 2.769 N/A CYS 98.A N ASP 24.A O no hydrogen 2.829 N/A CYS 98.A SG GLU 104.A OE2 no hydrogen 3.902 N/A PHE 99.A N SER 103.A O no hydrogen 2.974 N/A THR 100.A N THR 21.A O no hydrogen 2.887 N/A GLY 102.A N PHE 99.A O no hydrogen 3.236 N/A SER 103.A N ASP 101.A OD1 no hydrogen 3.025 N/A SER 103.A OG ASP 101.A OD1 no hydrogen 2.655 N/A SER 103.A OG ASP 101.A OD2 no hydrogen 3.475 N/A GLU 104.A N ALA 83.A O no hydrogen 2.721 N/A LEU 105.A N PHE 97.A O no hydrogen 2.806 N/A ARG 106.A N ALA 81.A O no hydrogen 2.693 N/A ARG 106.A NE GLU 104.A OE1 no hydrogen 2.857 N/A ARG 106.A NH2 GLU 104.A OE1 no hydrogen 3.330 N/A TYR 107.A N VAL 95.A O no hydrogen 2.723 N/A ARG 108.A N.A ARG 79.A O no hydrogen 2.745 N/A ARG 108.A N.B ARG 79.A O no hydrogen 2.719 N/A ARG 108.A NE.A PRO 91.A O no hydrogen 2.692 N/A ARG 108.A NH1.A GLU 90.A OE2 no hydrogen 3.244 N/A ARG 108.A NH2.A PRO 91.A O no hydrogen 2.985 N/A ASP 109.A N HIS 92.A O no hydrogen 2.978 N/A ARG 111.A N ASP 109.A OD1 no hydrogen 3.172 N/A ARG 111.A NE GLU 77.A OE1 no hydrogen 3.272 N/A ARG 111.A NH2 GLU 77.A OE1 no hydrogen 3.416 N/A ARG 111.A NH2 GLU 77.A OE2 no hydrogen 2.763 N/A LYS 112.A N ASP 109.A O no hydrogen 2.937 N/A PHE 113.A N ASP 109.A OD2 no hydrogen 2.790 N/A GLY 114.A N ASP 109.A OD2 no hydrogen 3.032 N/A THR 115.A N HIS 73.A O no hydrogen 3.096 N/A MET 116.A N ILE 32.A O no hydrogen 2.864 N/A HIS 117.A N ILE 71.A O no hydrogen 2.901 N/A VAL 118.A N HIS 35.A O no hydrogen 2.701 N/A TYR 119.A N ALA 69.A O no hydrogen 3.169 N/A TYR 119.A OH PRO 128.A O no hydrogen 2.765 N/A LYS 121.A N ARG 67.A O no hydrogen 2.887 N/A LYS 121.A NZ LEU 65.A O no hydrogen 2.819 N/A LYS 121.A NZ ASP 66.A O no hydrogen 2.964 N/A GLU 122.A N GLU 122.A OE2 no hydrogen 2.667 N/A GLU 123.A N ALA 120.A O no hydrogen 2.799 N/A ALA 124.A N ALA 120.A O no hydrogen 3.273 N/A ARG 126.A N GLU 123.A O no hydrogen 2.993 N/A ARG 126.A NH2 GLU 122.A O no hydrogen 3.467 N/A ARG 127.A N ALA 124.A O no hydrogen 3.213 N/A ALA 131.A N ARG 127.A O no hydrogen 2.849 N/A LEU 133.A N LEU 130.A O no hydrogen 3.099 N/A GLY 134.A N CYS 165.A O no hydrogen 2.852 N/A SER 139.A N GLU 136.A O no hydrogen 2.890 N/A SER 139.A OG GLU 136.A O no hydrogen 2.897 N/A ALA 141.A N SER 139.A OG no hydrogen 3.209 N/A PHE 142.A N SER 139.A O no hydrogen 2.912 N/A VAL 146.A N SER 143.A OG no hydrogen 3.339 N/A LEU 147.A N SER 143.A O no hydrogen 3.066 N/A ALA 148.A N PRO 144.A O no hydrogen 2.779 N/A GLU 149.A N ALA 145.A O no hydrogen 2.976 N/A ARG 150.A N VAL 146.A O no hydrogen 3.235 N/A ARG 150.A NH1 THR 166.A OG1 no hydrogen 3.219 N/A ARG 150.A NH2 THR 166.A OG1 no hydrogen 3.349 N/A ALA 151.A N LEU 147.A O no hydrogen 2.912 N/A VAL 152.A N ALA 148.A O no hydrogen 3.042 N/A THR 154.A N ALA 151.A O no hydrogen 3.434 N/A ARG 156.A N THR 154.A OG1 no hydrogen 3.188 N/A ARG 156.A NH1 ASP 164.A OD2 no hydrogen 2.818 N/A VAL 158.A N ARG 189.A O no hydrogen 2.591 N/A LYS 159.A N PRO 187.A O no hydrogen 3.298 N/A LYS 159.A NZ ASN 173.A OD1 no hydrogen 2.761 N/A LYS 159.A NZ ASP 177.A OD2 no hydrogen 2.682 N/A LYS 159.A NZ GLY 243.A O no hydrogen 3.263 N/A LYS 159.A NZ THR 244.A OG1 no hydrogen 2.920 N/A ALA 160.A N SER 157.A OG no hydrogen 3.209 N/A LEU 161.A N SER 157.A O no hydrogen 3.113 N/A LEU 162.A N VAL 158.A O no hydrogen 3.052 N/A LEU 163.A N LYS 159.A O no hydrogen 3.031 N/A ASP 164.A N LEU 161.A O no hydrogen 3.098 N/A THR 166.A N ASP 164.A OD1 no hydrogen 2.825 N/A THR 166.A OG1 ASP 164.A OD1 no hydrogen 2.672 N/A VAL 167.A N ASP 164.A O no hydrogen 3.005 N/A ALA 169.A N PRO 135.A O no hydrogen 2.961 N/A ASN 173.A ND2 TYR 220.A OH no hydrogen 3.295 N/A ASN 173.A ND2 GLY 243.A O no hydrogen 2.918 N/A VAL 176.A N GLY 172.A O no hydrogen 3.006 N/A ASP 177.A N ASN 173.A O no hydrogen 3.066 N/A GLU 178.A N ILE 174.A O no hydrogen 2.921 N/A SER 179.A N TYR 175.A O no hydrogen 2.832 N/A SER 179.A OG TYR 175.A O no hydrogen 2.638 N/A LEU 180.A N VAL 176.A O no hydrogen 2.987 N/A PHE 181.A N ASP 177.A O no hydrogen 3.063 N/A ARG 182.A N GLU 178.A O no hydrogen 3.046 N/A ARG 182.A NE GLU 205.A OE1 no hydrogen 3.472 N/A ARG 182.A NH1 GLU 212.A OE2 no hydrogen 3.389 N/A ARG 182.A NH2 GLU 212.A OE1 no hydrogen 3.005 N/A ARG 182.A NH2 GLU 212.A OE2 no hydrogen 3.151 N/A ALA 183.A N SER 179.A O no hydrogen 2.837 N/A GLY 184.A N PHE 181.A O no hydrogen 2.985 N/A ILE 185.A N LEU 180.A O no hydrogen 2.844 N/A ARG 189.A N LEU 186.A O no hydrogen 3.169 N/A ARG 189.A NE SER 193.A OG no hydrogen 2.910 N/A ARG 189.A NH1 GLU 198.A OE2 no hydrogen 2.926 N/A ARG 189.A NH1 ARG 252.A O no hydrogen 3.343 N/A ARG 189.A NH2 SER 193.A O no hydrogen 3.062 N/A ARG 189.A NH2 SER 193.A OG no hydrogen 3.067 N/A ARG 189.A NH2 GLU 198.A OE1 no hydrogen 2.926 N/A ARG 189.A NH2 GLU 198.A OE2 no hydrogen 3.453 N/A ALA 191.A N ARG 156.A O no hydrogen 2.797 N/A SER 193.A N PRO 190.A O no hydrogen 2.928 N/A SER 193.A OG PRO 190.A O no hydrogen 2.795 N/A LEU 194.A N ALA 191.A O no hydrogen 3.283 N/A SER 195.A N GLU 198.A OE1 no hydrogen 2.929 N/A SER 195.A OG GLU 198.A OE1 no hydrogen 3.543 N/A GLU 198.A N SER 195.A OG no hydrogen 3.033 N/A ILE 199.A N SER 195.A O no hydrogen 2.997 N/A GLU 200.A N SER 196.A O no hydrogen 3.075 N/A ARG 201.A N LYS 197.A O no hydrogen 3.052 N/A ARG 201.A NE GLU 205.A OE2 no hydrogen 3.063 N/A LEU 202.A N GLU 198.A O no hydrogen 2.837 N/A HIS 203.A N ILE 199.A O no hydrogen 2.951 N/A HIS 203.A NE2 PHE 142.A O no hydrogen 2.821 N/A GLU 204.A N GLU 200.A O no hydrogen 3.063 N/A GLU 205.A N ARG 201.A O no hydrogen 2.951 N/A MET 206.A N LEU 202.A O no hydrogen 2.841 N/A VAL 207.A N HIS 203.A O no hydrogen 3.033 N/A ALA 208.A N GLU 204.A O no hydrogen 3.033 N/A THR 209.A N GLU 205.A O no hydrogen 2.762 N/A THR 209.A OG1 GLU 205.A O no hydrogen 2.807 N/A ILE 210.A N MET 206.A O no hydrogen 3.046 N/A GLY 211.A N VAL 207.A O no hydrogen 2.615 N/A GLU 212.A N ALA 208.A O no hydrogen 2.777 N/A ALA 213.A N THR 209.A O no hydrogen 3.288 N/A VAL 214.A N ILE 210.A O no hydrogen 3.165 N/A MET 215.A N GLU 212.A O no hydrogen 3.264 N/A TYR 218.A N GLU 178.A OE1 no hydrogen 3.226 N/A TYR 218.A N GLU 178.A OE2 no hydrogen 2.745 N/A VAL 219.A N GLU 178.A OE1 no hydrogen 2.848 N/A TYR 220.A N GLU 178.A OE1 no hydrogen 2.880 N/A ARG 222.A N VAL 219.A O no hydrogen 2.937 N/A ARG 222.A NH1 TYR 218.A O no hydrogen 2.927 N/A ARG 222.A NH1 PRO 226.A O no hydrogen 3.079 N/A ARG 222.A NH2 PRO 226.A O no hydrogen 2.844 N/A GLN 223.A N GLN 223.A OE1 no hydrogen 2.680 N/A GLY 224.A N ILE 234.A O no hydrogen 2.855 N/A ASN 225.A N ARG 222.A O no hydrogen 2.942 N/A CYS 227.A N THR 232.A O no hydrogen 2.707 N/A LYS 228.A NZ LEU 217.A O no hydrogen 3.068 N/A ARG 229.A NH2.A TYR 218.A OH no hydrogen 3.367 N/A CYS 230.A SG THR 232.A OG1 no hydrogen 3.233 N/A GLY 231.A N CYS 227.A O no hydrogen 2.765 N/A ILE 234.A N ASN 225.A O no hydrogen 2.697 N/A GLU 235.A N TYR 246.A O no hydrogen 2.978 N/A THR 237.A N THR 244.A O no hydrogen 2.897 N/A VAL 239.A N ARG 242.A O no hydrogen 3.082 N/A ARG 242.A N VAL 239.A O no hydrogen 3.077 N/A THR 244.A N THR 237.A O no hydrogen 2.844 N/A THR 244.A OG1 VAL 239.A O no hydrogen 3.523 N/A THR 244.A OG1 ARG 242.A O no hydrogen 3.231 N/A HIS 245.A N ASP 177.A OD1 no hydrogen 2.820 N/A HIS 245.A ND1 ASP 177.A OD1 no hydrogen 2.980 N/A TYR 246.A N GLU 235.A O no hydrogen 3.067 N/A TYR 246.A OH GLU 235.A OE2 no hydrogen 3.338 N/A CYS 247.A N GLN 251.A OE1 no hydrogen 2.865 N/A GLN 251.A N CYS 247.A O no hydrogen 3.004 N/A GLN 251.A NE2 ILE 185.A O no hydrogen 2.808 N/A ARG 252.A N GLY 184.A O no hydrogen 3.093 N/A