Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a0n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N MET 239.A O no hydrogen 2.831 N/A SER 4.A N MET 239.A O no hydrogen 3.406 N/A LEU 6.A N PHE 237.A O no hydrogen 2.923 N/A ASN 9.A N ASP 7.A OD1 no hydrogen 2.849 N/A LEU 10.A N ASP 7.A O no hydrogen 2.883 N/A LEU 11.A N LEU 8.A O no hydrogen 3.077 N/A LYS 13.A N LEU 10.A O no hydrogen 2.924 N/A LYS 13.A NZ ASN 9.A O no hydrogen 3.404 N/A GLY 15.A N LEU 10.A O no hydrogen 2.808 N/A SER 17.A OG.A ASP 65.A OD2 no hydrogen 2.868 N/A TRP 18.A N GLY 15.A O no hydrogen 3.059 N/A TRP 18.A NE1 SER 4.A OG no hydrogen 2.978 N/A ASN 19.A N GLY 16.A O no hydrogen 3.125 N/A VAL 20.A N GLY 14.A O no hydrogen 2.818 N/A ASP 21.A N.A SER 61.A O no hydrogen 2.902 N/A ASP 21.A N.B SER 61.A O no hydrogen 2.895 N/A ASN 24.A N SER 59.A O no hydrogen 2.935 N/A LYS 26.A N ASN 24.A OD1 no hydrogen 3.182 N/A LYS 26.A NZ GLY 56.A O no hydrogen 3.215 N/A LYS 27.A NZ ASP 44.A OD1 no hydrogen 3.501 N/A LYS 27.A NZ ASP 44.A OD2 no hydrogen 2.876 N/A SER 28.A N MET 25.A O.A no hydrogen 2.791 N/A SER 28.A N MET 25.A O.B no hydrogen 2.804 N/A SER 28.A OG GLY 57.A O no hydrogen 2.860 N/A ALA 29.A N LYS 40.A O no hydrogen 3.075 N/A THR 31.A N VAL 38.A O no hydrogen 2.876 N/A PHE 33.A N LYS 36.A O no hydrogen 2.932 N/A LYS 36.A N PHE 33.A O no hydrogen 3.024 N/A ARG 37.A NE ASN 9.A OD1 no hydrogen 2.887 N/A ARG 37.A NH1 THR 32.A OG1 no hydrogen 2.882 N/A ARG 37.A NH2 ASN 9.A OD1 no hydrogen 3.408 N/A VAL 38.A N THR 31.A O no hydrogen 2.822 N/A VAL 39.A N PHE 234.A O no hydrogen 2.873 N/A LYS 40.A N ALA 29.A O no hydrogen 2.865 N/A ALA 41.A N ALA 232.A O no hydrogen 2.776 N/A VAL 42.A N SER 28.A OG no hydrogen 3.104 N/A TYR 43.A N GLN 230.A O no hydrogen 2.839 N/A TYR 43.A OH THR 218.A OG1 no hydrogen 2.695 N/A ASP 44.A N VAL 55.A O no hydrogen 2.975 N/A LYS 45.A N ASN 229.A OD1 no hydrogen 2.750 N/A ASN 46.A N SER 226.A O no hydrogen 2.853 N/A SER 47.A N ASP 44.A O no hydrogen 3.095 N/A SER 47.A OG ASP 44.A O no hydrogen 2.736 N/A ALA 51.A N THR 49.A OG1 no hydrogen 3.066 N/A ASN 52.A N THR 49.A O no hydrogen 3.026 N/A GLY 54.A N ASN 46.A O no hydrogen 2.836 N/A VAL 55.A N ASP 44.A OD2 no hydrogen 3.063 N/A GLY 57.A N VAL 42.A O no hydrogen 2.804 N/A SER 59.A N ASN 24.A O no hydrogen 2.944 N/A PHE 60.A N TRP 216.A O no hydrogen 2.964 N/A SER 61.A N ASP 21.A O.A no hydrogen 3.018 N/A SER 61.A N ASP 21.A O.B no hydrogen 2.825 N/A SER 61.A OG.B ASP 215.A OD1 no hydrogen 3.151 N/A ALA 62.A N PHE 214.A O no hydrogen 2.867 N/A VAL 63.A N TRP 18.A O no hydrogen 3.139 N/A VAL 63.A N ASN 19.A O no hydrogen 3.276 N/A ASP 65.A N SER 17.A O no hydrogen 2.858 N/A LEU 67.A N PRO 64.A O no hydrogen 2.959 N/A ASN 70.A N.A ASN 68.A OD1 no hydrogen 2.846 N/A ASN 70.A N.B ASN 68.A OD1 no hydrogen 2.834 N/A ALA 71.A N ASN 68.A O no hydrogen 3.391 N/A ALA 71.A N ASN 68.A OD1 no hydrogen 3.347 N/A ILE 72.A N THR 171.A O no hydrogen 3.008 N/A THR 73.A N LYS 240.A O no hydrogen 3.025 N/A THR 73.A OG1 TYR 188.A OH no hydrogen 2.854 N/A PHE 74.A N ILE 169.A O no hydrogen 2.984 N/A ALA 75.A N GLN 238.A O no hydrogen 2.944 N/A TRP 76.A N ILE 167.A O no hydrogen 2.923 N/A TRP 76.A NE1 HIS 92.A ND1 no hydrogen 3.053 N/A GLU 77.A N THR 235.A O no hydrogen 2.891 N/A VAL 78.A N ASN 165.A O no hydrogen 2.925 N/A PHE 79.A N TYR 233.A O no hydrogen 2.773 N/A TYR 80.A OH HIS 92.A NE2 no hydrogen 2.953 N/A LYS 82.A N ASP 162.A OD1 no hydrogen 2.984 N/A PHE 84.A N PRO 81.A O no hydrogen 3.034 N/A ASP 85.A N GLN 230.A OE1 no hydrogen 2.805 N/A ALA 87.A N.A ASP 85.A OD1 no hydrogen 2.802 N/A ALA 87.A N.B ASP 85.A OD1 no hydrogen 2.978 N/A GLY 89.A N.A PHE 86.A O no hydrogen 2.843 N/A GLY 89.A N.B PHE 86.A O no hydrogen 3.320 N/A GLY 90.A N TRP 118.A O no hydrogen 3.134 N/A LYS 91.A N PHE 219.A O no hydrogen 2.832 N/A LYS 91.A NZ GLY 221.A O no hydrogen 2.903 N/A HIS 92.A N ILE 116.A O no hydrogen 2.965 N/A HIS 92.A NE2 TYR 80.A OH no hydrogen 2.953 N/A GLY 94.A N ASP 215.A O no hydrogen 2.943 N/A THR 95.A N ASN 114.A O no hydrogen 2.934 N/A THR 95.A OG1.B THR 171.A OG1 no hydrogen 2.775 N/A PHE 96.A N ARG 213.A O no hydrogen 2.951 N/A ILE 97.A N ALA 112.A O no hydrogen 2.858 N/A GLY 98.A N LEU 210.A O no hydrogen 2.764 N/A HIS 99.A N THR 110.A O no hydrogen 3.220 N/A SER 103.A N GLN 106.A O no hydrogen 3.131 N/A TYR 105.A N TYR 129.A OH no hydrogen 3.026 N/A GLN 106.A N SER 103.A O no hydrogen 2.749 N/A SER 108.A OG ALA 101.A O no hydrogen 2.679 N/A THR 110.A OG1 HIS 99.A O no hydrogen 2.608 N/A ALA 112.A N ILE 97.A O no hydrogen 3.133 N/A SER 113.A N TYR 129.A O no hydrogen 3.012 N/A SER 113.A OG ALA 102.A O no hydrogen 2.690 N/A ASN 114.A N THR 95.A O no hydrogen 2.867 N/A ASN 114.A ND2 THR 171.A OG1 no hydrogen 3.017 N/A ASN 114.A ND2 SER 187.A OG no hydrogen 2.891 N/A ARG 115.A N TYR 127.A O no hydrogen 2.975 N/A ILE 116.A N GLY 93.A O no hydrogen 2.981 N/A MET 117.A N ILE 125.A O no hydrogen 3.058 N/A TRP 118.A N GLY 90.A O no hydrogen 2.777 N/A TRP 118.A NE1 PHE 86.A O no hydrogen 2.925 N/A GLN 119.A N GLY 123.A O no hydrogen 2.735 N/A LYS 121.A NZ.A GLU 120.A OE1.B no hydrogen 2.695 N/A GLY 122.A N GLN 119.A O no hydrogen 3.117 N/A GLY 123.A N GLU 120.A O no hydrogen 3.137 N/A VAL 124.A N PHE 155.A O no hydrogen 3.356 N/A ILE 125.A N MET 117.A O no hydrogen 2.972 N/A ASP 126.A N PHE 150.A O no hydrogen 2.967 N/A TYR 127.A N ARG 115.A O no hydrogen 2.784 N/A TYR 127.A OH HIS 146.A ND1 no hydrogen 3.310 N/A ILE 128.A N ILE 148.A O no hydrogen 2.851 N/A TYR 129.A N SER 113.A O no hydrogen 3.078 N/A SER 132.A N SER 108.A O no hydrogen 2.881 N/A GLN 136.A NE2 ASN 202.A O no hydrogen 2.811 N/A LYS 137.A NZ LEU 183.A O no hydrogen 3.387 N/A LEU 141.A N ILE 138.A O no hydrogen 3.159 N/A HIS 146.A ND1 GLY 147.A O no hydrogen 3.038 N/A GLY 147.A N TYR 127.A OH no hydrogen 2.961 N/A ILE 148.A N ILE 128.A O no hydrogen 2.822 N/A PHE 150.A N ASP 126.A O no hydrogen 2.900 N/A GLN 152.A N GLN 152.A OE1 no hydrogen 2.794 N/A ASP 154.A N PHE 151.A O no hydrogen 2.984 N/A LYS 156.A NZ GLN 152.A O no hydrogen 3.101 N/A ASN 157.A ND2.B LYS 121.A O no hydrogen 3.376 N/A ALA 158.A N PHE 155.A O no hydrogen 3.140 N/A LEU 159.A N GLY 122.A O no hydrogen 2.868 N/A LYS 160.A N ASN 165.A OD1 no hydrogen 2.988 N/A LYS 160.A NZ ASN 157.A O no hydrogen 2.750 N/A TYR 161.A OH PHE 84.A O no hydrogen 2.684 N/A ASP 162.A N TYR 80.A O no hydrogen 2.994 N/A TRP 164.A NE1 ASP 34.A OD2 no hydrogen 2.804 N/A ASN 165.A N VAL 78.A O no hydrogen 2.844 N/A ASN 165.A ND2 VAL 78.A O no hydrogen 3.121 N/A ASN 165.A ND2 LYS 160.A O no hydrogen 3.006 N/A ARG 166.A N ASN 192.A OD1 no hydrogen 2.881 N/A ILE 167.A N TRP 76.A O no hydrogen 2.926 N/A GLU 168.A N ILE 190.A O no hydrogen 2.896 N/A ILE 169.A N PHE 74.A O no hydrogen 2.868 N/A GLY 170.A N TYR 188.A O no hydrogen 2.831 N/A THR 171.A N ILE 72.A O no hydrogen 2.958 N/A THR 171.A OG1 THR 95.A OG1.B no hydrogen 2.775 N/A LYS 172.A N GLU 186.A O no hydrogen 2.962 N/A MET 173.A N ASN 70.A O.A no hydrogen 2.942 N/A MET 173.A N ASN 70.A O.B no hydrogen 2.729 N/A ASN 174.A ND2 THR 175.A O no hydrogen 3.085 N/A ASN 174.A ND2 SER 204.A O no hydrogen 3.572 N/A THR 175.A N ASP 184.A OD1 no hydrogen 2.878 N/A THR 175.A OG1 ASP 184.A OD1 no hydrogen 3.484 N/A THR 175.A OG1 ASP 184.A OD2 no hydrogen 2.693 N/A LYS 177.A N ILE 180.A O no hydrogen 3.071 N/A ILE 180.A N LYS 177.A O no hydrogen 3.353 N/A GLN 182.A N THR 175.A O no hydrogen 2.861 N/A GLY 185.A N ILE 201.A O no hydrogen 2.707 N/A GLU 186.A N LYS 172.A O no hydrogen 2.928 N/A SER 187.A N LEU 198.A O no hydrogen 2.936 N/A SER 187.A OG ASP 126.A OD2 no hydrogen 2.686 N/A SER 187.A OG GLY 170.A O no hydrogen 3.517 N/A TYR 188.A N GLY 170.A O no hydrogen 3.010 N/A VAL 189.A N GLU 196.A O no hydrogen 2.906 N/A ILE 190.A N GLU 168.A O no hydrogen 2.963 N/A VAL 191.A N LYS 194.A O no hydrogen 3.011 N/A ASN 192.A N ARG 166.A O no hydrogen 2.793 N/A ASN 192.A ND2 ALA 158.A O no hydrogen 3.267 N/A ASN 192.A ND2 ASN 165.A OD1 no hydrogen 2.958 N/A LYS 194.A N VAL 191.A O no hydrogen 3.103 N/A LYS 194.A NZ ASP 154.A O no hydrogen 2.838 N/A GLU 196.A N VAL 189.A O no hydrogen 2.965 N/A LEU 198.A N SER 187.A O no hydrogen 2.895 N/A ARG 200.A NH1 LYS 199.A O no hydrogen 3.539 N/A ARG 200.A NH2 LYS 137.A O no hydrogen 3.455 N/A ILE 201.A N GLY 185.A O no hydrogen 2.922 N/A ASN 202.A N GLN 136.A OE1 no hydrogen 3.066 N/A TRP 203.A N ASN 174.A OD1 no hydrogen 2.817 N/A TRP 203.A NE1 GLU 186.A O no hydrogen 3.051 N/A SER 204.A N ASN 174.A OD1 no hydrogen 3.256 N/A SER 204.A OG SER 206.A O no hydrogen 3.031 N/A SER 204.A OG LEU 209.A O no hydrogen 2.669 N/A ARG 205.A NH1 LYS 109.A O no hydrogen 2.991 N/A ARG 205.A NH1 SER 132.A O no hydrogen 2.987 N/A ARG 205.A NH1 ASP 133.A O no hydrogen 3.087 N/A ARG 205.A NH2 ASP 133.A O no hydrogen 3.000 N/A ARG 205.A NH2 ASP 133.A OD2 no hydrogen 3.322 N/A SER 206.A OG ASP 208.A OD1.A no hydrogen 2.480 N/A LEU 209.A N SER 206.A O no hydrogen 2.919 N/A ILE 211.A N LYS 69.A O no hydrogen 3.014 N/A SER 212.A N PHE 96.A O no hydrogen 2.880 N/A SER 212.A OG.A PHE 96.A O no hydrogen 3.116 N/A SER 212.A OG.A GLY 98.A O no hydrogen 3.049 N/A SER 212.A OG.B GLY 98.A O no hydrogen 2.660 N/A SER 212.A OG.B LEU 210.A O no hydrogen 3.139 N/A ARG 213.A N PHE 96.A O no hydrogen 3.493 N/A ARG 213.A NH1.A GLY 98.A O no hydrogen 3.492 N/A ARG 213.A NH1.B ASP 215.A OD1 no hydrogen 3.509 N/A PHE 214.A N ALA 62.A O no hydrogen 2.903 N/A ASP 215.A N GLY 94.A O no hydrogen 2.736 N/A TRP 216.A N PHE 60.A O no hydrogen 2.783 N/A ASN 217.A N HIS 92.A O no hydrogen 2.984 N/A THR 218.A N PHE 58.A O no hydrogen 3.075 N/A THR 218.A OG1 TYR 43.A OH no hydrogen 2.695 N/A THR 218.A OG1 LYS 91.A O no hydrogen 2.858 N/A PHE 219.A N LYS 91.A O no hydrogen 3.375 N/A GLY 221.A N GLY 89.A O.A no hydrogen 2.965 N/A GLY 221.A N GLY 89.A O.B no hydrogen 2.580 N/A SER 226.A N SER 47.A O no hydrogen 2.919 N/A SER 226.A OG LYS 228.A O no hydrogen 2.716 N/A LYS 228.A NZ GLY 83.A O no hydrogen 2.865 N/A GLN 230.A N TYR 43.A O no hydrogen 2.934 N/A GLN 230.A NE2 ASP 85.A O no hydrogen 2.925 N/A GLN 230.A NE2 SER 226.A OG no hydrogen 3.082 N/A ALA 232.A N ALA 41.A O no hydrogen 3.029 N/A TYR 233.A N PHE 79.A O no hydrogen 2.918 N/A PHE 234.A N VAL 39.A O no hydrogen 2.929 N/A THR 235.A N GLU 77.A O no hydrogen 2.876 N/A THR 235.A OG1 ARG 37.A O no hydrogen 2.726 N/A ASN 236.A ND2 GLU 77.A OE2 no hydrogen 2.963 N/A GLN 238.A N ALA 75.A O no hydrogen 2.755 N/A MET 239.A N SER 4.A O no hydrogen 2.897 N/A LYS 240.A N THR 73.A O no hydrogen 2.695 N/A LYS 240.A NZ GLU 168.A OE1 no hydrogen 3.452 N/A LYS 240.A NZ GLU 168.A OE2 no hydrogen 2.829 N/A LYS 241.A N ASN 1.A O no hydrogen 2.871 N/A TYR 242.A OH GLU 186.A OE1 no hydrogen 2.752 N/A