Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u3n_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 75.A OE2 no hydrogen 2.555 N/A CYS 4.A N ASN 2.A OD1 no hydrogen 2.928 N/A ARG 5.A N ASN 2.A O no hydrogen 2.865 N/A LEU 6.A N TYR 3.A O no hydrogen 3.255 N/A CYS 8.A SG ASN 12.A O no hydrogen 3.352 N/A ASP 11.A N CYS 8.A O no hydrogen 2.982 N/A HIS 14.A NE2 ASN 96.A O no hydrogen 2.794 N/A VAL 15.A N CYS 94.A O no hydrogen 2.882 N/A GLY 16.A N HIS 14.A ND1 no hydrogen 2.886 N/A CYS 17.A N HIS 14.A O no hydrogen 3.028 N/A TYR 22.A OH THR 32.A OG1 no hydrogen 3.425 N/A ALA 23.A N LYS 85.A O no hydrogen 3.044 N/A CYS 26.A N ALA 23.A O no hydrogen 2.896 N/A CYS 26.A SG LYS 85.A O no hydrogen 3.134 N/A GLY 27.A N GLN 24.A O no hydrogen 2.863 N/A ARG 31.A N THR 169.A O no hydrogen 2.754 N/A THR 32.A N TYR 22.A OH no hydrogen 3.002 N/A THR 32.A OG1 TYR 22.A OH no hydrogen 3.425 N/A THR 32.A OG1 THR 168.A OG1 no hydrogen 2.877 N/A ARG 33.A N LEU 167.A O no hydrogen 2.795 N/A ARG 33.A NH1 THR 169.A OG1 no hydrogen 3.155 N/A LEU 36.A N HIS 39.A ND1 no hydrogen 2.969 N/A HIS 39.A N LEU 36.A O no hydrogen 2.814 N/A ARG 40.A N LEU 36.A O no hydrogen 2.924 N/A ARG 40.A NH1 LEU 35.A O no hydrogen 2.898 N/A ASN 41.A N LYS 37.A O no hydrogen 2.899 N/A GLU 42.A N GLU 38.A O no hydrogen 3.170 N/A ILE 43.A N HIS 39.A O no hydrogen 3.039 N/A LEU 44.A N ARG 40.A O no hydrogen 3.037 N/A SER 45.A N ASN 41.A O no hydrogen 2.841 N/A LYS 46.A N GLU 42.A O no hydrogen 3.039 N/A LYS 46.A NZ GLU 42.A OE2 no hydrogen 2.810 N/A ILE 47.A N ILE 43.A O no hydrogen 3.083 N/A ASN 48.A N LEU 44.A O no hydrogen 2.826 N/A ASN 48.A ND2 VAL 70.A O no hydrogen 3.147 N/A ASP 49.A N SER 45.A O no hydrogen 2.839 N/A VAL 50.A N LYS 46.A O no hydrogen 3.082 N/A ARG 51.A N ILE 47.A O no hydrogen 3.054 N/A ARG 51.A NE LYS 68.A O no hydrogen 2.936 N/A ARG 51.A NH1 ALA 155.A O no hydrogen 2.846 N/A ARG 51.A NH1 SER 157.A O no hydrogen 2.835 N/A ARG 51.A NH2 LYS 68.A O no hydrogen 2.914 N/A ARG 51.A NH2 SER 157.A O no hydrogen 3.229 N/A ASP 52.A N ASN 48.A O no hydrogen 2.940 N/A HIS 53.A N ASP 49.A O no hydrogen 2.995 N/A VAL 54.A N VAL 50.A O no hydrogen 2.823 N/A ALA 55.A N ARG 51.A O no hydrogen 2.814 N/A GLY 57.A N VAL 54.A O no hydrogen 2.807 N/A SER 58.A OG HIS 53.A O no hydrogen 2.639 N/A LEU 61.A N SER 58.A O no hydrogen 2.909 N/A ALA 64.A N ALA 55.A O no hydrogen 2.965 N/A ALA 65.A N LYS 196.A O no hydrogen 2.864 N/A ARG 66.A NE GLU 220.A OE2 no hydrogen 2.661 N/A ARG 66.A NH2 GLU 220.A OE2 no hydrogen 2.655 N/A LYS 68.A NZ ALA 218.A O no hydrogen 2.958 N/A LYS 68.A NZ GLU 220.A O no hydrogen 2.528 N/A VAL 69.A N CYS 216.A O no hydrogen 2.982 N/A VAL 70.A N ASN 48.A OD1 no hydrogen 2.852 N/A VAL 71.A N THR 161.A O no hydrogen 3.206 N/A ASP 73.A N VAL 163.A O no hydrogen 2.787 N/A LEU 76.A N ASP 73.A OD2 no hydrogen 2.954 N/A ALA 77.A N ASP 73.A O no hydrogen 2.979 N/A GLY 78.A N ALA 74.A O no hydrogen 2.886 N/A LEU 79.A N GLU 75.A O no hydrogen 3.078 N/A ALA 80.A N LEU 76.A O no hydrogen 2.914 N/A LYS 81.A N ALA 77.A O no hydrogen 2.837 N/A ARG 82.A N GLY 78.A O no hydrogen 3.060 N/A ARG 82.A NH1 GLY 18.A O no hydrogen 3.047 N/A ARG 82.A NH2 CYS 17.A O no hydrogen 3.146 N/A ARG 82.A NH2 GLY 18.A O no hydrogen 3.123 N/A HIS 83.A N LEU 79.A O no hydrogen 3.034 N/A HIS 83.A NE2 GLY 89.A O no hydrogen 2.887 N/A THR 84.A N ALA 80.A O no hydrogen 3.034 N/A THR 84.A OG1 LYS 81.A O no hydrogen 2.734 N/A THR 84.A OG1 THR 168.A OG1 no hydrogen 2.648 N/A LYS 85.A N ARG 82.A O no hydrogen 3.157 N/A LYS 85.A NZ THR 32.A OG1 no hydrogen 2.820 N/A GLY 86.A N HIS 83.A O no hydrogen 2.965 N/A CYS 87.A N THR 84.A O no hydrogen 2.945 N/A CYS 87.A SG THR 84.A O no hydrogen 3.851 N/A CYS 87.A SG LYS 85.A O no hydrogen 4.041 N/A ALA 93.A N THR 91.A OG1 no hydrogen 3.303 N/A CYS 94.A N TYR 13.A O no hydrogen 2.840 N/A CYS 94.A SG ASN 12.A O no hydrogen 3.711 N/A ARG 95.A NE PRO 103.A O no hydrogen 2.909 N/A ARG 95.A NH2 PRO 103.A O no hydrogen 2.961 N/A ASN 96.A ND2 PRO 7.A O no hydrogen 3.119 N/A THR 97.A N PHE 100.A O no hydrogen 2.961 N/A THR 97.A OG1 PHE 100.A O no hydrogen 3.195 N/A ARG 99.A NH1 ASP 73.A OD1 no hydrogen 2.808 N/A ARG 99.A NH2 ASP 73.A OD1 no hydrogen 3.063 N/A ARG 99.A NH2 ASP 73.A OD2 no hydrogen 3.055 N/A ARG 99.A NH2 GLU 75.A OE1 no hydrogen 3.037 N/A PHE 100.A N THR 97.A OG1 no hydrogen 2.888 N/A TRP 101.A N ASN 225.A OD1 no hydrogen 2.853 N/A TRP 101.A NE1 GLU 98.A O no hydrogen 2.952 N/A GLN 105.A NE2 ASN 183.A OD1 no hydrogen 2.944 N/A LEU 106.A N CYS 182.A O no hydrogen 2.835 N/A ASN 107.A ND2 GLU 90.A OE2 no hydrogen 3.160 N/A ASN 107.A ND2 GLN 105.A OE1 no hydrogen 3.152 N/A PHE 108.A N LEU 180.A O no hydrogen 2.829 N/A TYR 110.A N ALA 178.A O no hydrogen 2.991 N/A TYR 110.A OH LYS 114.A O no hydrogen 2.688 N/A GLY 112.A N ALA 176.A O no hydrogen 2.985 N/A LYS 119.A NZ GLU 38.A OE1 no hydrogen 2.913 N/A LEU 121.A N ARG 117.A O no hydrogen 3.051 N/A ILE 122.A N ILE 118.A O no hydrogen 2.990 N/A ASP 123.A N LYS 119.A O no hydrogen 2.889 N/A ASP 124.A N GLU 120.A O no hydrogen 2.882 N/A ALA 125.A N LEU 121.A O no hydrogen 3.193 N/A VAL 126.A N ILE 122.A O no hydrogen 2.979 N/A LYS 127.A N ASP 123.A O no hydrogen 2.889 N/A LYS 128.A N ASP 124.A O no hydrogen 3.087 N/A GLY 129.A N ALA 125.A O no hydrogen 3.048 N/A HIS 130.A N VAL 126.A O no hydrogen 2.762 N/A LEU 131.A N LYS 127.A O no hydrogen 2.849 N/A GLN 132.A N GLY 129.A O no hydrogen 2.990 N/A GLN 132.A NE2 GLU 151.A OE1 no hydrogen 2.788 N/A LYS 133.A N HIS 130.A O no hydrogen 3.049 N/A HIS 134.A ND1 LEU 131.A O no hydrogen 3.198 N/A ASN 135.A N GLN 132.A O no hydrogen 2.734 N/A ASN 135.A ND2 ASP 148.A O no hydrogen 2.990 N/A ILE 136.A N GLN 132.A O no hydrogen 3.105 N/A ARG 138.A NH1 GLY 60.A O no hydrogen 3.197 N/A ILE 140.A N THR 137.A OG1 no hydrogen 3.122 N/A ILE 141.A N THR 137.A O no hydrogen 3.015 N/A GLU 142.A N ARG 138.A O no hydrogen 2.898 N/A ASN 143.A N GLU 139.A O no hydrogen 2.879 N/A TYR 144.A N ARG 192.A O no hydrogen 2.839 N/A TYR 144.A OH GLU 146.A OE2 no hydrogen 2.680 N/A ARG 145.A NE ASN 143.A OD1 no hydrogen 2.879 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.916 N/A LEU 152.A N GLN 132.A OE1 no hydrogen 2.895 N/A ALA 153.A N VAL 149.A O no hydrogen 2.843 N/A LEU 154.A N LYS 150.A O no hydrogen 3.001 N/A ALA 155.A N GLU 151.A O no hydrogen 3.230 N/A ILE 156.A N LEU 152.A O no hydrogen 3.314 N/A ILE 156.A N ALA 153.A O no hydrogen 3.297 N/A SER 157.A N LEU 154.A O no hydrogen 3.192 N/A ASP 158.A N VAL 194.A O no hydrogen 3.249 N/A ARG 159.A N SER 157.A OG no hydrogen 3.092 N/A ARG 159.A NE LYS 226.A O no hydrogen 2.853 N/A ARG 159.A NH1 ASP 223.A O no hydrogen 2.873 N/A ARG 159.A NH2 ASN 228.A OD1 no hydrogen 3.546 N/A VAL 160.A N SER 157.A O no hydrogen 3.274 N/A THR 161.A N SER 185.A OG no hydrogen 2.775 N/A THR 161.A OG1 SER 185.A OG no hydrogen 3.032 N/A ALA 162.A N SER 185.A OG no hydrogen 3.355 N/A VAL 163.A N VAL 71.A O no hydrogen 2.942 N/A GLY 164.A N ASN 183.A O no hydrogen 2.855 N/A GLY 166.A N THR 181.A O no hydrogen 2.904 N/A THR 168.A N LEU 179.A O no hydrogen 3.185 N/A THR 168.A OG1 THR 32.A OG1 no hydrogen 2.877 N/A THR 168.A OG1 THR 84.A OG1 no hydrogen 2.648 N/A THR 169.A N ARG 31.A O no hydrogen 2.976 N/A TRP 170.A N ARG 177.A O no hydrogen 2.941 N/A ASP 172.A N LYS 175.A O no hydrogen 3.046 N/A LYS 175.A N ASP 172.A O no hydrogen 3.130 N/A LYS 175.A NZ ASP 113.A OD1 no hydrogen 2.666 N/A ALA 176.A N GLY 112.A O no hydrogen 2.780 N/A ARG 177.A N TRP 170.A O no hydrogen 2.810 N/A ARG 177.A NE ASP 172.A O no hydrogen 3.026 N/A ALA 178.A N TYR 110.A O no hydrogen 3.024 N/A LEU 179.A N THR 168.A O no hydrogen 2.959 N/A LEU 180.A N PHE 108.A O no hydrogen 2.896 N/A THR 181.A N GLY 166.A O no hydrogen 2.954 N/A THR 181.A OG1 ASN 107.A OD1 no hydrogen 2.761 N/A CYS 182.A N LEU 106.A O no hydrogen 2.864 N/A ASN 183.A N GLY 164.A O no hydrogen 2.850 N/A ASN 183.A ND2 LEU 76.A O no hydrogen 3.357 N/A PHE 184.A N GLY 104.A O no hydrogen 2.856 N/A SER 185.A N ALA 162.A O no hydrogen 2.942 N/A SER 185.A OG THR 161.A OG1 no hydrogen 3.032 N/A SER 185.A OG SER 186.A OG.A no hydrogen 3.343 N/A SER 186.A OG.A ARG 159.A O no hydrogen 2.865 N/A SER 186.A OG.A SER 185.A OG no hydrogen 3.343 N/A SER 186.A OG.A PRO 224.A O no hydrogen 2.782 N/A SER 186.A OG.B PRO 224.A O no hydrogen 2.914 N/A GLY 191.A N TYR 144.A O no hydrogen 2.949 N/A ARG 192.A N THR 189.A O no hydrogen 2.952 N/A ARG 192.A NE ASN 228.A O no hydrogen 2.843 N/A VAL 194.A N ILE 141.A O no hydrogen 2.771 N/A TYR 195.A OH PRO 62.A O no hydrogen 2.591 N/A LYS 196.A N ASP 158.A OD2 no hydrogen 2.882 N/A LYS 196.A NZ ILE 197.A O no hydrogen 3.264 N/A GLY 198.A N VAL 63.A O no hydrogen 2.731 N/A ASN 199.A N GLU 203.A OE2 no hydrogen 2.428 N/A SER 200.A N GLU 203.A OE1 no hydrogen 2.417 N/A SER 200.A OG GLU 203.A OE1 no hydrogen 3.186 N/A GLY 202.A N ALA 64.A O no hydrogen 2.957 N/A GLU 203.A N SER 200.A O no hydrogen 3.107 N/A LYS 204.A N ALA 65.A O no hydrogen 2.828 N/A CYS 205.A N GLY 202.A O no hydrogen 3.047 N/A CYS 205.A SG GLY 202.A O no hydrogen 3.629 N/A ILE 206.A N GLU 220.A OE2 no hydrogen 2.733 N/A GLU 207.A N GLU 220.A OE1 no hydrogen 3.188 N/A LYS 208.A NZ PRO 201.A O no hydrogen 2.919 N/A LYS 208.A NZ LYS 213.A O no hydrogen 2.781 N/A ASP 209.A N LEU 215.A O no hydrogen 2.814 N/A THR 211.A N ASP 209.A OD2 no hydrogen 3.033 N/A TYR 212.A N ASP 209.A OD2 no hydrogen 2.792 N/A ASN 214.A N ASP 52.A OD1 no hydrogen 2.836 N/A LEU 215.A N TYR 212.A O no hydrogen 3.010 N/A CYS 216.A N MET 67.A O no hydrogen 2.804 N/A CYS 216.A SG MET 67.A O no hydrogen 3.836 N/A SER 217.A N GLU 207.A O no hydrogen 2.796 N/A SER 217.A OG GLU 207.A OE1 no hydrogen 2.840 N/A GLU 220.A N SER 217.A O no hydrogen 3.065 N/A ILE 222.A N GLU 220.A O no hydrogen 2.778 N/A ASN 225.A N ASP 223.A OD1 no hydrogen 2.897 N/A ASN 225.A ND2 ARG 99.A O no hydrogen 2.825 N/A LYS 226.A N ASP 223.A O no hydrogen 3.306 N/A LYS 226.A NZ ASP 223.A OD2 no hydrogen 2.746 N/A SER 227.A OG ASN 228.A O no hydrogen 2.971 N/A ASN 228.A ND2 ASP 158.A OD1 no hydrogen 2.773 N/A ASN 228.A ND2 PRO 193.A O no hydrogen 3.177 N/A