Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u3l_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 74.A OE2 no hydrogen 2.656 N/A CYS 4.A N ASN 2.A OD1 no hydrogen 2.908 N/A ARG 5.A N ASN 2.A O no hydrogen 2.856 N/A LEU 6.A N TYR 3.A O no hydrogen 3.236 N/A CYS 8.A SG ASN 12.A O no hydrogen 3.360 N/A ASP 11.A N CYS 8.A O no hydrogen 2.977 N/A HIS 14.A NE2 ASN 95.A O no hydrogen 2.761 N/A VAL 15.A N CYS 93.A O no hydrogen 2.892 N/A GLY 16.A N HIS 14.A ND1 no hydrogen 2.875 N/A CYS 17.A N HIS 14.A O no hydrogen 2.988 N/A TYR 22.A OH THR 32.A OG1 no hydrogen 3.429 N/A ALA 23.A N LYS 84.A O no hydrogen 3.018 N/A CYS 26.A N ALA 23.A O no hydrogen 2.940 N/A CYS 26.A SG LYS 84.A O no hydrogen 3.123 N/A GLY 27.A N GLN 24.A O no hydrogen 2.898 N/A ARG 31.A N THR 170.A O no hydrogen 2.774 N/A THR 32.A N TYR 22.A OH no hydrogen 2.950 N/A THR 32.A OG1 TYR 22.A OH no hydrogen 3.429 N/A THR 32.A OG1 THR 169.A OG1 no hydrogen 2.871 N/A ARG 33.A N.A LEU 168.A O no hydrogen 2.778 N/A ARG 33.A N.B LEU 168.A O no hydrogen 2.769 N/A ARG 33.A NH1.A THR 170.A OG1 no hydrogen 3.370 N/A ARG 33.A NH1.B THR 170.A OG1 no hydrogen 2.989 N/A LEU 36.A N HIS 39.A ND1 no hydrogen 3.000 N/A ARG 40.A N LEU 36.A O no hydrogen 3.000 N/A ARG 40.A NH1 LEU 35.A O no hydrogen 2.789 N/A ASN 41.A N LYS 37.A O no hydrogen 2.915 N/A GLU 42.A N GLU 38.A O no hydrogen 3.111 N/A ILE 43.A N HIS 39.A O no hydrogen 3.038 N/A LEU 44.A N ARG 40.A O no hydrogen 2.997 N/A SER 45.A N ASN 41.A O no hydrogen 2.871 N/A SER 45.A OG.A ASN 41.A O no hydrogen 3.498 N/A SER 45.A OG.A GLU 42.A O no hydrogen 2.805 N/A LYS 46.A N GLU 42.A O no hydrogen 3.050 N/A LYS 46.A NZ GLU 42.A OE2 no hydrogen 2.759 N/A ILE 47.A N ILE 43.A O no hydrogen 3.105 N/A ASN 48.A N LEU 44.A O no hydrogen 2.825 N/A ASN 48.A ND2 VAL 69.A O no hydrogen 3.146 N/A ASP 49.A N SER 45.A O no hydrogen 2.815 N/A VAL 50.A N LYS 46.A O no hydrogen 3.074 N/A ARG 51.A N ILE 47.A O no hydrogen 3.062 N/A ARG 51.A NE LYS 67.A O no hydrogen 2.963 N/A ARG 51.A NH1 ALA 156.A O no hydrogen 2.824 N/A ARG 51.A NH1 SER 158.A O no hydrogen 2.871 N/A ARG 51.A NH2 LYS 67.A O no hydrogen 2.921 N/A ARG 51.A NH2 SER 158.A O no hydrogen 3.279 N/A ASP 52.A N ASN 48.A O no hydrogen 2.903 N/A HIS 53.A N ASP 49.A O no hydrogen 3.014 N/A VAL 54.A N VAL 50.A O no hydrogen 2.826 N/A ALA 55.A N ARG 51.A O no hydrogen 2.820 N/A GLY 57.A N VAL 54.A O no hydrogen 2.827 N/A SER 58.A OG HIS 53.A O no hydrogen 2.609 N/A LEU 61.A N SER 58.A O no hydrogen 2.922 N/A ALA 64.A N ALA 55.A O no hydrogen 2.883 N/A ALA 65.A N LYS 197.A O no hydrogen 2.910 N/A ARG 66.A NE GLU 221.A OE2 no hydrogen 2.846 N/A ARG 66.A NH2 GLU 221.A OE2 no hydrogen 2.733 N/A LYS 67.A NZ ALA 219.A O no hydrogen 2.934 N/A LYS 67.A NZ GLU 221.A O no hydrogen 2.646 N/A VAL 68.A N CYS 217.A O no hydrogen 3.056 N/A VAL 69.A N ASN 48.A OD1 no hydrogen 2.824 N/A VAL 70.A N THR 162.A O no hydrogen 3.209 N/A ASP 72.A N VAL 164.A O no hydrogen 2.789 N/A LEU 75.A N ASP 72.A OD2 no hydrogen 2.947 N/A ALA 76.A N ASP 72.A O no hydrogen 2.989 N/A GLY 77.A N ALA 73.A O no hydrogen 2.926 N/A LEU 78.A N GLU 74.A O no hydrogen 3.062 N/A ALA 79.A N LEU 75.A O no hydrogen 2.948 N/A LYS 80.A N ALA 76.A O no hydrogen 2.855 N/A ARG 81.A N GLY 77.A O no hydrogen 3.044 N/A ARG 81.A NH1 GLY 18.A O no hydrogen 3.083 N/A ARG 81.A NH2 CYS 17.A O no hydrogen 3.098 N/A ARG 81.A NH2 GLY 18.A O no hydrogen 3.116 N/A HIS 82.A N LEU 78.A O no hydrogen 3.022 N/A HIS 82.A NE2 GLY 88.A O no hydrogen 2.819 N/A THR 83.A N ALA 79.A O no hydrogen 3.025 N/A THR 83.A OG1 LYS 80.A O no hydrogen 2.707 N/A THR 83.A OG1 THR 169.A OG1 no hydrogen 2.727 N/A LYS 84.A N ARG 81.A O no hydrogen 3.143 N/A LYS 84.A NZ THR 32.A OG1 no hydrogen 2.853 N/A GLY 85.A N HIS 82.A O no hydrogen 2.971 N/A CYS 86.A N THR 83.A O no hydrogen 2.944 N/A CYS 86.A SG THR 83.A O no hydrogen 3.808 N/A CYS 86.A SG LYS 84.A O no hydrogen 4.022 N/A ALA 92.A N THR 90.A OG1 no hydrogen 3.346 N/A CYS 93.A N TYR 13.A O no hydrogen 2.862 N/A CYS 93.A SG ASN 12.A O no hydrogen 3.733 N/A ARG 94.A NE PRO 102.A O no hydrogen 2.875 N/A ARG 94.A NH2 PRO 102.A O no hydrogen 2.948 N/A ASN 95.A ND2 PRO 7.A O no hydrogen 3.135 N/A THR 96.A N PHE 99.A O no hydrogen 2.968 N/A THR 96.A OG1 PHE 99.A O no hydrogen 3.222 N/A ARG 98.A NH1 ASP 72.A OD1 no hydrogen 2.683 N/A ARG 98.A NH2 ASP 72.A OD1 no hydrogen 3.057 N/A ARG 98.A NH2 ASP 72.A OD2 no hydrogen 3.099 N/A ARG 98.A NH2 GLU 74.A OE1 no hydrogen 2.991 N/A PHE 99.A N THR 96.A OG1 no hydrogen 2.901 N/A TRP 100.A N ASN 226.A OD1 no hydrogen 2.882 N/A TRP 100.A NE1 GLU 97.A O no hydrogen 2.943 N/A GLN 104.A NE2 ASN 184.A OD1 no hydrogen 2.945 N/A LEU 105.A N CYS 183.A O no hydrogen 2.860 N/A ASN 106.A ND2 GLU 89.A OE2 no hydrogen 3.135 N/A ASN 106.A ND2 GLN 104.A OE1 no hydrogen 3.133 N/A PHE 107.A N LEU 181.A O no hydrogen 2.806 N/A TYR 109.A N ALA 179.A O no hydrogen 3.054 N/A TYR 109.A OH LYS 113.A O no hydrogen 2.726 N/A GLY 111.A N ALA 177.A O no hydrogen 3.032 N/A ARG 116.A N GLU 119.A OE2 no hydrogen 2.899 N/A LYS 118.A NZ ASP 122.A OD1 no hydrogen 2.737 N/A LYS 118.A NZ ASP 122.A OD2 no hydrogen 3.104 N/A LEU 120.A N ARG 116.A O no hydrogen 3.030 N/A ILE 121.A N ILE 117.A O no hydrogen 3.006 N/A ASP 122.A N LYS 118.A O no hydrogen 2.904 N/A ASP 123.A N GLU 119.A O no hydrogen 2.916 N/A ALA 124.A N LEU 120.A O no hydrogen 3.202 N/A VAL 125.A N ILE 121.A O no hydrogen 2.915 N/A LYS 126.A N ASP 122.A O no hydrogen 2.881 N/A LYS 127.A N ASP 123.A O no hydrogen 2.997 N/A GLY 128.A N ALA 124.A O no hydrogen 3.118 N/A HIS 129.A N VAL 125.A O no hydrogen 2.847 N/A LEU 130.A N LYS 126.A O no hydrogen 2.992 N/A GLN 131.A N GLY 128.A O no hydrogen 3.010 N/A GLN 131.A NE2 GLU 152.A OE1 no hydrogen 2.785 N/A LYS 132.A N HIS 129.A O no hydrogen 3.135 N/A ASN 134.A N GLN 131.A O no hydrogen 2.804 N/A ASN 134.A ND2 ASP 149.A O no hydrogen 3.020 N/A ILE 135.A N GLN 131.A O no hydrogen 3.004 N/A THR 136.A OG1 GLU 138.A OE1 no hydrogen 3.331 N/A ARG 137.A NH1 GLY 60.A O no hydrogen 3.535 N/A GLU 138.A N GLU 138.A OE1 no hydrogen 2.798 N/A ILE 139.A N THR 136.A OG1 no hydrogen 3.188 N/A ILE 140.A N THR 136.A O no hydrogen 3.087 N/A GLU 141.A N ARG 137.A O no hydrogen 2.994 N/A ASN 142.A N GLU 138.A O no hydrogen 2.932 N/A TYR 143.A N ARG 193.A O no hydrogen 2.922 N/A TYR 143.A OH GLU 145.A OE1 no hydrogen 2.644 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.852 N/A LEU 153.A N GLN 131.A OE1 no hydrogen 2.946 N/A ALA 154.A N VAL 150.A O no hydrogen 2.865 N/A LEU 155.A N LYS 151.A O no hydrogen 3.001 N/A ALA 156.A N GLU 152.A O no hydrogen 3.225 N/A ILE 157.A N LEU 153.A O no hydrogen 3.307 N/A ILE 157.A N ALA 154.A O no hydrogen 3.278 N/A SER 158.A N LEU 155.A O no hydrogen 3.175 N/A ASP 159.A N VAL 195.A O no hydrogen 3.184 N/A ARG 160.A N SER 158.A OG no hydrogen 3.079 N/A ARG 160.A NE LYS 227.A O no hydrogen 2.889 N/A ARG 160.A NH1 ASP 224.A O no hydrogen 2.869 N/A VAL 161.A N SER 158.A O no hydrogen 3.280 N/A THR 162.A N SER 186.A OG no hydrogen 2.847 N/A THR 162.A OG1 SER 186.A OG no hydrogen 3.312 N/A VAL 164.A N VAL 70.A O no hydrogen 2.944 N/A GLY 165.A N ASN 184.A O no hydrogen 2.861 N/A GLY 167.A N THR 182.A O no hydrogen 2.880 N/A THR 169.A N LEU 180.A O no hydrogen 3.152 N/A THR 169.A OG1 THR 32.A OG1 no hydrogen 2.871 N/A THR 169.A OG1 THR 83.A OG1 no hydrogen 2.727 N/A THR 170.A N ARG 31.A O no hydrogen 2.943 N/A TRP 171.A N ARG 178.A O no hydrogen 2.891 N/A ASP 173.A N LYS 176.A O no hydrogen 3.037 N/A LYS 176.A N ASP 173.A O no hydrogen 3.099 N/A ALA 177.A N GLY 111.A O no hydrogen 2.822 N/A ARG 178.A N TRP 171.A O no hydrogen 2.786 N/A ARG 178.A NE ASP 173.A O no hydrogen 2.988 N/A ALA 179.A N TYR 109.A O no hydrogen 3.092 N/A LEU 180.A N THR 169.A O no hydrogen 2.954 N/A LEU 181.A N PHE 107.A O no hydrogen 2.922 N/A THR 182.A N GLY 167.A O no hydrogen 2.937 N/A THR 182.A OG1 ASN 106.A OD1 no hydrogen 2.749 N/A CYS 183.A N LEU 105.A O no hydrogen 2.866 N/A ASN 184.A N GLY 165.A O no hydrogen 2.852 N/A ASN 184.A ND2 LEU 75.A O no hydrogen 3.275 N/A PHE 185.A N GLY 103.A O no hydrogen 2.844 N/A SER 186.A N ALA 163.A O no hydrogen 2.949 N/A SER 186.A OG THR 162.A OG1 no hydrogen 3.312 N/A SER 186.A OG SER 187.A OG.B no hydrogen 3.011 N/A SER 187.A OG.A PRO 225.A O no hydrogen 2.909 N/A SER 187.A OG.B ARG 160.A O no hydrogen 2.878 N/A SER 187.A OG.B SER 186.A OG no hydrogen 3.011 N/A SER 187.A OG.B PRO 225.A O no hydrogen 2.786 N/A GLY 192.A N TYR 143.A O no hydrogen 2.985 N/A ARG 193.A N THR 190.A O no hydrogen 3.003 N/A ARG 193.A NE ASN 229.A O no hydrogen 2.883 N/A VAL 195.A N ILE 140.A O no hydrogen 2.845 N/A TYR 196.A OH PRO 62.A O no hydrogen 2.560 N/A LYS 197.A N ASP 159.A OD2 no hydrogen 2.914 N/A GLY 199.A N VAL 63.A O no hydrogen 2.907 N/A ASN 200.A N GLU 204.A OE1 no hydrogen 3.231 N/A SER 201.A N GLU 204.A OE2 no hydrogen 2.725 N/A SER 201.A OG GLU 204.A OE2 no hydrogen 3.359 N/A GLY 203.A N ALA 64.A O no hydrogen 2.940 N/A GLU 204.A N SER 201.A O no hydrogen 3.203 N/A LYS 205.A N ALA 65.A O no hydrogen 2.918 N/A CYS 206.A N GLY 203.A O no hydrogen 2.970 N/A CYS 206.A SG GLY 203.A O no hydrogen 3.473 N/A ILE 207.A N GLU 221.A OE2 no hydrogen 2.809 N/A GLU 208.A N GLU 221.A OE1 no hydrogen 3.273 N/A LYS 209.A NZ PRO 202.A O no hydrogen 2.807 N/A LYS 209.A NZ LYS 214.A O no hydrogen 2.858 N/A ASP 210.A N LEU 216.A O no hydrogen 2.792 N/A THR 212.A N ASP 210.A OD2 no hydrogen 2.976 N/A TYR 213.A N ASP 210.A OD2 no hydrogen 2.784 N/A ASN 215.A N ASP 52.A OD1 no hydrogen 2.854 N/A LEU 216.A N TYR 213.A O no hydrogen 2.962 N/A SER 218.A N GLU 208.A O no hydrogen 2.828 N/A SER 218.A OG GLU 208.A O no hydrogen 3.526 N/A SER 218.A OG GLU 208.A OE1 no hydrogen 2.809 N/A GLU 221.A N SER 218.A O no hydrogen 3.003 N/A ILE 223.A N GLU 221.A O no hydrogen 2.812 N/A ASN 226.A N ASP 224.A OD1 no hydrogen 2.899 N/A ASN 226.A ND2 ARG 98.A O no hydrogen 2.941 N/A LYS 227.A N ASP 224.A O no hydrogen 3.264 N/A SER 228.A OG ASN 229.A O no hydrogen 2.881 N/A ASN 229.A ND2 ASP 159.A OD1 no hydrogen 2.862 N/A ASN 229.A ND2 PRO 194.A O no hydrogen 3.035 N/A