Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bwk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ASP 96.A OD1 no hydrogen 2.526 N/A ALA 3.A N TYR 130.A O no hydrogen 2.859 N/A TYR 5.A OH GLU 140.A OE1 no hydrogen 2.603 N/A GLU 6.A N ASN 4.A OD1 no hydrogen 3.268 N/A VAL 8.A N ASN 4.A O no hydrogen 2.998 N/A ILE 9.A N TYR 5.A O no hydrogen 2.767 N/A LYS 11.A N ASP 7.A O no hydrogen 3.396 N/A TYR 12.A N VAL 8.A O no hydrogen 3.146 N/A LYS 13.A N ILE 9.A O no hydrogen 2.898 N/A ALA 17.A N PRO 14.A O no hydrogen 3.260 N/A ILE 22.A N ASP 20.A OD1 no hydrogen 2.986 N/A TYR 24.A N TYR 183.A O no hydrogen 2.820 N/A TRP 26.A N VAL 181.A O no hydrogen 3.054 N/A TRP 26.A NE1 LEU 142.A O no hydrogen 2.725 N/A ARG 27.A N ASP 25.A OD1 no hydrogen 3.028 N/A ARG 27.A NE ASP 25.A OD1 no hydrogen 3.046 N/A ARG 27.A NE ASP 25.A OD2 no hydrogen 3.385 N/A ARG 27.A NH2 ASP 25.A OD2 no hydrogen 3.060 N/A LEU 28.A N ASP 25.A O no hydrogen 3.062 N/A HIS 29.A N TRP 26.A O no hydrogen 3.093 N/A GLY 31.A N TRP 26.A O no hydrogen 2.904 N/A THR 33.A OG1 GLU 54.A OE1 no hydrogen 2.688 N/A LYS 36.A NZ GLU 54.A OE2 no hydrogen 2.663 N/A LYS 36.A NZ GLU 69.A OE1 no hydrogen 2.917 N/A LYS 36.A NZ GLU 69.A OE2 no hydrogen 2.815 N/A LYS 36.A NZ GLN 103.A OE1 no hydrogen 2.958 N/A GLN 38.A N SER 207.A O no hydrogen 2.938 N/A GLN 38.A NE2 CYS 41.A O no hydrogen 2.817 N/A ALA 39.A N ASP 37.A OD1 no hydrogen 2.990 N/A CYS 41.A N ALA 39.A O no hydrogen 2.947 N/A CYS 41.A SG SER 43.A OG no hydrogen 3.592 N/A CYS 41.A SG TYR 108.A OH no hydrogen 3.828 N/A GLY 42.A N CYS 82.A O no hydrogen 2.936 N/A SER 43.A OG TYR 108.A OH no hydrogen 2.891 N/A TRP 45.A NE1 GLY 81.A O no hydrogen 3.010 N/A ALA 46.A N SER 43.A O no hydrogen 2.953 N/A PHE 47.A N SER 43.A O no hydrogen 3.174 N/A SER 48.A N CYS 44.A O no hydrogen 2.788 N/A SER 48.A OG SER 149.A OG no hydrogen 2.683 N/A SER 48.A OG VAL 178.A O no hydrogen 2.619 N/A SER 49.A N TRP 45.A O no hydrogen 3.232 N/A SER 49.A OG TRP 45.A O no hydrogen 2.770 N/A SER 49.A OG ALA 46.A O no hydrogen 3.491 N/A VAL 50.A N ALA 46.A O no hydrogen 2.949 N/A GLY 51.A N PHE 47.A O no hydrogen 2.919 N/A SER 52.A N SER 48.A O no hydrogen 3.072 N/A SER 52.A OG SER 49.A O no hydrogen 2.911 N/A VAL 53.A N SER 49.A O no hydrogen 3.300 N/A GLU 54.A N VAL 50.A O no hydrogen 2.897 N/A SER 55.A N GLY 51.A O no hydrogen 3.007 N/A SER 55.A OG GLY 31.A O no hydrogen 2.559 N/A GLN 56.A N SER 52.A O no hydrogen 3.025 N/A GLN 56.A NE2 LEU 145.A O no hydrogen 2.613 N/A TYR 57.A N VAL 53.A O no hydrogen 2.917 N/A TYR 57.A OH THR 126.A O no hydrogen 2.774 N/A ALA 58.A N GLU 54.A O no hydrogen 2.904 N/A ILE 59.A N SER 55.A O no hydrogen 2.970 N/A ARG 60.A N GLN 56.A O no hydrogen 2.896 N/A ARG 60.A NE GLN 56.A OE1 no hydrogen 3.133 N/A ARG 60.A NH2 TYR 144.A O no hydrogen 3.369 N/A ARG 60.A NH2 LEU 145.A O no hydrogen 2.790 N/A LYS 61.A N TYR 57.A O no hydrogen 2.872 N/A LYS 62.A N ALA 58.A O no hydrogen 2.947 N/A PHE 67.A N GLU 54.A OE2 no hydrogen 2.868 N/A SER 68.A N CYS 101.A O no hydrogen 2.874 N/A SER 68.A OG TYR 106.A O no hydrogen 2.761 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.934 N/A GLN 70.A NE2 ASP 74.A OD1 no hydrogen 2.939 N/A GLU 71.A N SER 68.A OG no hydrogen 3.133 N/A VAL 73.A N GLU 69.A O no hydrogen 3.051 N/A ASP 74.A N GLN 70.A O no hydrogen 2.761 N/A CYS 75.A N GLU 71.A O no hydrogen 2.767 N/A SER 76.A N LEU 72.A O no hydrogen 2.790 N/A SER 76.A OG ASP 93.A OD1 no hydrogen 2.414 N/A LYS 78.A N ASP 93.A OD1 no hydrogen 3.142 N/A ASN 79.A N SER 76.A O no hydrogen 3.244 N/A ASN 79.A ND2 SER 76.A OG no hydrogen 2.724 N/A ASN 80.A N GLY 84.A O no hydrogen 2.845 N/A CYS 82.A SG SER 110.A O no hydrogen 3.406 N/A TYR 83.A N ASN 80.A O no hydrogen 2.858 N/A GLY 84.A N GLY 81.A O no hydrogen 3.241 N/A TYR 86.A N ASN 79.A OD1 no hydrogen 2.885 N/A THR 88.A OG1 ASN 89.A OD1 no hydrogen 3.471 N/A ASN 89.A ND2 LYS 78.A O no hydrogen 2.869 N/A ALA 90.A N TYR 86.A O no hydrogen 3.159 N/A PHE 91.A N ILE 87.A O no hydrogen 3.081 N/A ASP 92.A N THR 88.A O no hydrogen 2.855 N/A ASP 93.A N ASN 89.A O no hydrogen 2.959 N/A MET 94.A N ALA 90.A O no hydrogen 2.953 N/A ILE 95.A N PHE 91.A O no hydrogen 3.195 N/A ASP 96.A N ASP 92.A O no hydrogen 2.949 N/A LEU 97.A N ASP 93.A O no hydrogen 2.820 N/A GLY 98.A N ILE 95.A O no hydrogen 3.231 N/A GLY 99.A N MET 94.A O no hydrogen 2.897 N/A LEU 100.A N TYR 125.A O no hydrogen 2.677 N/A GLN 103.A N LEU 66.A O no hydrogen 2.852 N/A ASP 105.A N SER 102.A OG no hydrogen 3.156 N/A TYR 106.A N SER 102.A O no hydrogen 3.181 N/A TYR 106.A OH ASP 74.A OD2 no hydrogen 2.487 N/A TYR 108.A OH GLN 38.A O no hydrogen 2.504 N/A TYR 108.A OH SER 43.A OG no hydrogen 2.891 N/A VAL 109.A N GLN 70.A OE1 no hydrogen 2.681 N/A SER 110.A OG VAL 109.A O no hydrogen 3.080 N/A SER 110.A OG ASN 111.A OD1 no hydrogen 3.246 N/A LEU 112.A N VAL 109.A O no hydrogen 3.010 N/A ASN 117.A N TYR 106.A OH no hydrogen 3.415 N/A LYS 119.A N ASN 117.A OD1 no hydrogen 3.223 N/A ARG 120.A N ASN 117.A O no hydrogen 3.225 N/A CYS 121.A N LEU 118.A O no hydrogen 3.207 N/A ASN 122.A N ASP 105.A OD2 no hydrogen 3.058 N/A ARG 124.A NH1 GLY 99.A O no hydrogen 2.491 N/A ARG 124.A NH1 LEU 100.A O no hydrogen 3.246 N/A TYR 125.A N LEU 100.A O no hydrogen 3.009 N/A LYS 128.A N LEU 241.A O no hydrogen 2.847 N/A SER 129.A N LEU 241.A O no hydrogen 3.313 N/A TYR 130.A N TYR 1.A O no hydrogen 3.399 N/A TYR 130.A OH ASP 92.A OD1 no hydrogen 2.594 N/A VAL 131.A N VAL 239.A O no hydrogen 2.873 N/A ILE 133.A N ALA 237.A O no hydrogen 2.871 N/A LYS 137.A N PRO 134.A O no hydrogen 2.960 N/A LYS 139.A NZ ARG 21.A O no hydrogen 2.786 N/A LYS 139.A NZ ASP 223.A O no hydrogen 3.174 N/A LYS 139.A NZ GLU 224.A O no hydrogen 3.048 N/A ALA 141.A N LYS 137.A O no hydrogen 2.868 N/A LEU 142.A N PHE 138.A O no hydrogen 2.821 N/A ARG 143.A N LYS 139.A O no hydrogen 3.042 N/A ARG 143.A NH1 ARG 143.A O no hydrogen 2.933 N/A TYR 144.A N GLU 140.A O no hydrogen 3.149 N/A LEU 145.A N ALA 141.A O no hydrogen 2.760 N/A GLY 146.A N ALA 141.A O no hydrogen 2.937 N/A ILE 148.A N LEU 180.A O no hydrogen 2.964 N/A SER 149.A N TYR 238.A O no hydrogen 2.867 N/A SER 149.A OG SER 48.A OG no hydrogen 2.683 N/A ILE 150.A N VAL 178.A O no hydrogen 2.954 N/A SER 151.A N GLU 236.A O no hydrogen 3.055 N/A ILE 152.A N HIS 176.A O no hydrogen 2.934 N/A ALA 153.A N CYS 231.A O no hydrogen 2.910 N/A ALA 154.A N ASN 175.A OD1 no hydrogen 2.870 N/A SER 155.A OG GLU 169.A O no hydrogen 2.668 N/A ASP 157.A N ASP 156.A OD1 no hydrogen 2.717 N/A PHE 158.A N SER 155.A OG no hydrogen 3.330 N/A ALA 159.A N SER 155.A O no hydrogen 3.108 N/A PHE 160.A N ASP 156.A O no hydrogen 3.016 N/A TYR 161.A N PHE 158.A O no hydrogen 3.250 N/A TYR 161.A OH GLY 164.A O no hydrogen 2.468 N/A GLY 164.A N GLU 214.A OE2 no hydrogen 2.750 N/A TYR 166.A OH GLU 169.A O no hydrogen 2.687 N/A GLU 169.A N ASP 157.A OD1 no hydrogen 2.619 N/A GLY 171.A N ALA 153.A O no hydrogen 3.071 N/A ASN 175.A N ILE 152.A O no hydrogen 2.991 N/A ASN 175.A ND2 ALA 154.A O no hydrogen 2.829 N/A HIS 176.A NE2 ASN 206.A OD1 no hydrogen 2.819 N/A ALA 177.A N HIS 176.A ND1 no hydrogen 2.982 N/A VAL 178.A N ILE 150.A O no hydrogen 2.844 N/A ILE 179.A N LYS 205.A O no hydrogen 3.146 N/A LEU 180.A N ILE 148.A O no hydrogen 2.778 N/A VAL 181.A N ILE 203.A O no hydrogen 2.984 N/A TYR 183.A N TYR 24.A O no hydrogen 2.735 N/A TYR 183.A OH ASP 20.A O no hydrogen 2.666 N/A GLY 184.A N TYR 201.A O no hydrogen 2.897 N/A LYS 186.A N PHE 199.A O no hydrogen 2.855 N/A ILE 188.A N GLU 197.A O no hydrogen 2.989 N/A ASN 190.A N ARG 195.A O no hydrogen 2.969 N/A THR 193.A N ASN 190.A OD1 no hydrogen 2.544 N/A THR 193.A OG1 GLU 197.A OE2 no hydrogen 3.564 N/A GLY 194.A N ASN 190.A O no hydrogen 2.990 N/A GLU 197.A N ILE 188.A O no hydrogen 2.802 N/A PHE 199.A N LYS 186.A O no hydrogen 2.714 N/A TYR 201.A N GLY 184.A O no hydrogen 3.044 N/A TYR 202.A N LEU 220.A O no hydrogen 2.875 N/A TYR 202.A OH GLY 226.A O no hydrogen 2.570 N/A ILE 203.A N GLY 182.A O no hydrogen 2.974 N/A ILE 204.A N ILE 218.A O no hydrogen 2.901 N/A LYS 205.A N ILE 179.A O no hydrogen 2.767 N/A LYS 205.A NZ THR 33.A O no hydrogen 2.912 N/A LYS 205.A NZ PRO 34.A O no hydrogen 3.242 N/A ASN 206.A N GLY 216.A O no hydrogen 2.950 N/A SER 207.A N ASN 206.A OD1 no hydrogen 2.948 N/A SER 207.A OG GLN 38.A OE1 no hydrogen 2.666 N/A GLY 209.A N LYS 36.A O no hydrogen 2.908 N/A TRP 212.A N GLY 209.A O no hydrogen 3.364 N/A TRP 212.A NE1 PHE 158.A O no hydrogen 2.887 N/A GLY 213.A N TYR 161.A O no hydrogen 2.928 N/A GLU 214.A N TYR 217.A O no hydrogen 2.812 N/A GLY 216.A N TRP 212.A O no hydrogen 2.825 N/A TYR 217.A N GLU 214.A O no hydrogen 3.225 N/A ILE 218.A N ILE 204.A O no hydrogen 2.957 N/A LEU 220.A N TYR 202.A O no hydrogen 2.916 N/A THR 222.A N TYR 200.A O no hydrogen 2.806 N/A THR 222.A OG1 LYS 228.A O no hydrogen 2.769 N/A ASP 223.A N THR 222.A OG1 no hydrogen 2.737 N/A TYR 227.A N ASP 223.A OD2 no hydrogen 2.873 N/A LYS 228.A N ASP 223.A OD2 no hydrogen 3.243 N/A LYS 229.A NZ ASP 135.A OD1 no hydrogen 2.715 N/A LYS 229.A NZ ILE 233.A O no hydrogen 2.813 N/A THR 230.A OG1 GLU 221.A O no hydrogen 2.636 N/A ILE 233.A N THR 230.A O no hydrogen 3.279 N/A GLY 234.A N SER 151.A O no hydrogen 2.928 N/A THR 235.A N SER 232.A O no hydrogen 3.232 N/A THR 235.A OG1 SER 232.A O no hydrogen 2.777 N/A GLU 236.A N SER 151.A OG no hydrogen 3.070 N/A TYR 238.A N SER 149.A O no hydrogen 2.844 N/A VAL 239.A N VAL 131.A O no hydrogen 2.948 N/A LEU 241.A N SER 129.A O no hydrogen 2.703 N/A