Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bdj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N ASP 2.A OD2 no hydrogen 3.052 N/A ILE 6.A N VAL 72.A O no hydrogen 3.107 N/A ARG 8.A NH1 GLU 75.A O no hydrogen 3.437 N/A ARG 8.A NH1 PRO 77.A O no hydrogen 3.023 N/A ARG 8.A NH2 GLU 75.A O no hydrogen 2.886 N/A SER 10.A N PRO 7.A O no hydrogen 3.004 N/A SER 10.A OG PRO 7.A O no hydrogen 2.755 N/A LEU 11.A N ARG 8.A O no hydrogen 3.050 N/A ARG 12.A N THR 29.A O no hydrogen 2.898 N/A GLU 14.A N MET 27.A O no hydrogen 2.740 N/A VAL 15.A N MET 27.A O no hydrogen 3.290 N/A LYS 16.A NZ GLN 19.A OE1 no hydrogen 2.784 N/A LEU 17.A N VAL 25.A O no hydrogen 2.843 N/A GLY 18.A N VAL 25.A O no hydrogen 3.344 N/A GLU 24.A N THR 40.A O no hydrogen 3.309 N/A VAL 25.A N GLY 18.A O no hydrogen 3.143 N/A TRP 26.A N ILE 38.A O no hydrogen 2.864 N/A MET 27.A N VAL 15.A O no hydrogen 2.714 N/A GLY 28.A N VAL 36.A O no hydrogen 2.851 N/A THR 29.A N ARG 12.A O no hydrogen 2.888 N/A TRP 30.A N THR 34.A O no hydrogen 2.515 N/A ASN 31.A N SER 10.A O no hydrogen 2.715 N/A THR 33.A N ASN 31.A O no hydrogen 2.639 N/A THR 34.A N TRP 30.A O no hydrogen 2.962 N/A THR 34.A OG1 TRP 30.A O no hydrogen 3.568 N/A VAL 36.A N GLY 28.A O no hydrogen 2.841 N/A ALA 37.A N THR 82.A O no hydrogen 3.107 N/A ILE 38.A N TRP 26.A O no hydrogen 2.821 N/A LYS 39.A N ILE 80.A O no hydrogen 2.809 N/A LYS 39.A NZ GLU 54.A OE1 no hydrogen 2.971 N/A LYS 39.A NZ GLU 54.A OE2 no hydrogen 2.824 N/A THR 40.A N GLU 24.A O no hydrogen 3.158 N/A LEU 41.A N ILE 78.A O no hydrogen 2.944 N/A THR 45.A OG1 CYS 21.A O no hydrogen 2.904 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.936 N/A ALA 50.A N SER 47.A O no hydrogen 2.880 N/A PHE 51.A N SER 47.A O no hydrogen 3.348 N/A LEU 52.A N PRO 48.A O no hydrogen 3.124 N/A GLN 53.A N GLU 49.A O no hydrogen 3.200 N/A GLN 53.A N ALA 50.A O no hydrogen 3.051 N/A GLN 53.A NE2 ALA 152.A O no hydrogen 3.417 N/A GLN 56.A N LEU 52.A O no hydrogen 3.027 N/A VAL 57.A N GLN 53.A O no hydrogen 3.210 N/A MET 58.A N GLU 54.A O no hydrogen 3.173 N/A LYS 59.A N ALA 55.A O no hydrogen 2.748 N/A LYS 59.A N GLN 56.A O no hydrogen 2.878 N/A LYS 59.A NZ ASP 2.A OD1 no hydrogen 2.895 N/A LYS 59.A NZ ASP 2.A OD2 no hydrogen 3.397 N/A LYS 59.A NZ GLN 56.A OE1 no hydrogen 3.309 N/A LYS 60.A N GLN 56.A O no hydrogen 3.253 N/A LYS 60.A N VAL 57.A O no hydrogen 2.834 N/A LEU 61.A N VAL 57.A O no hydrogen 2.666 N/A ARG 62.A N TYR 120.A OH no hydrogen 3.054 N/A LYS 65.A N HIS 63.A ND1 no hydrogen 3.121 N/A LYS 65.A NZ GLN 113.A OE1 no hydrogen 2.837 N/A LEU 66.A N HIS 63.A O no hydrogen 2.839 N/A VAL 67.A N VAL 146.A O no hydrogen 3.133 N/A GLN 68.A N GLU 83.A OE2 no hydrogen 2.714 N/A TYR 70.A N VAL 81.A O no hydrogen 2.776 N/A ALA 71.A N VAL 81.A O no hydrogen 3.159 N/A VAL 72.A N TRP 4.A O no hydrogen 2.966 N/A VAL 73.A N TYR 79.A O no hydrogen 3.174 N/A SER 74.A N GLU 5.A OE2 no hydrogen 3.066 N/A SER 74.A OG GLU 5.A OE1 no hydrogen 2.908 N/A SER 74.A OG GLU 5.A OE2 no hydrogen 2.957 N/A TYR 79.A N VAL 73.A O no hydrogen 3.005 N/A ILE 80.A N LYS 39.A O no hydrogen 2.809 N/A VAL 81.A N ALA 71.A O no hydrogen 2.872 N/A THR 82.A N ALA 37.A O no hydrogen 2.952 N/A THR 82.A OG1 GLU 83.A O no hydrogen 2.865 N/A GLU 83.A N GLN 68.A O no hydrogen 2.885 N/A SER 86.A OG GLU 140.A OE2 no hydrogen 3.065 N/A LYS 87.A N VAL 138.A O no hydrogen 2.745 N/A SER 89.A OG ASP 92.A OD2 no hydrogen 3.080 N/A LEU 90.A N ILE 136.A O no hydrogen 2.656 N/A ASP 92.A N SER 89.A OG no hydrogen 3.308 N/A PHE 93.A N SER 89.A O no hydrogen 3.174 N/A LEU 94.A N LEU 90.A O no hydrogen 2.847 N/A LYS 95.A N LEU 91.A O no hydrogen 2.953 N/A GLY 96.A N PHE 93.A O no hydrogen 3.302 N/A LYS 100.A N GLU 97.A O no hydrogen 3.026 N/A LYS 100.A NZ TYR 101.A OH no hydrogen 3.016 N/A TYR 101.A N THR 98.A O no hydrogen 3.362 N/A LEU 102.A N GLY 99.A O no hydrogen 3.240 N/A LEU 107.A N ARG 103.A O no hydrogen 3.064 N/A VAL 108.A N LEU 104.A O no hydrogen 2.833 N/A ASP 109.A N PRO 105.A O no hydrogen 2.912 N/A MET 110.A N GLN 106.A O no hydrogen 2.992 N/A ALA 111.A N LEU 107.A O no hydrogen 2.968 N/A ALA 112.A N VAL 108.A O no hydrogen 2.761 N/A GLN 113.A N ASP 109.A O no hydrogen 3.067 N/A GLN 113.A NE2 ASP 109.A OD2 no hydrogen 3.238 N/A GLN 113.A NE2 LEU 142.A O no hydrogen 2.825 N/A ILE 114.A N MET 110.A O no hydrogen 3.124 N/A ALA 115.A N ALA 111.A O no hydrogen 2.866 N/A SER 116.A N ALA 112.A O no hydrogen 2.952 N/A GLY 117.A N GLN 113.A O no hydrogen 2.986 N/A MET 118.A N ILE 114.A O no hydrogen 2.959 N/A ALA 119.A N ALA 115.A O no hydrogen 2.763 N/A TYR 120.A N SER 116.A O no hydrogen 3.236 N/A TYR 120.A N GLY 117.A O no hydrogen 3.050 N/A VAL 121.A N GLY 117.A O no hydrogen 3.196 N/A GLU 122.A N MET 118.A O no hydrogen 2.857 N/A ARG 123.A N ALA 119.A O no hydrogen 3.071 N/A MET 124.A N TYR 120.A O no hydrogen 2.857 N/A MET 124.A N VAL 121.A O no hydrogen 3.251 N/A ASN 125.A N GLU 122.A O no hydrogen 2.702 N/A TYR 126.A N VAL 121.A O no hydrogen 3.039 N/A VAL 127.A N ARG 153.A O no hydrogen 2.853 N/A HIS 128.A N ASP 177.A OD2 no hydrogen 2.754 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 2.792 N/A ARG 129.A N ASP 177.A OD1 no hydrogen 3.026 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 2.727 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.871 N/A ARG 132.A NE ASP 130.A OD1 no hydrogen 2.926 N/A ARG 132.A NH2 ASP 130.A OD1 no hydrogen 3.144 N/A ARG 132.A NH2 ASP 130.A OD2 no hydrogen 3.207 N/A ALA 133.A N GLU 187.A OE1 no hydrogen 3.042 N/A ASN 135.A N ARG 132.A O no hydrogen 2.828 N/A ILE 136.A N ALA 133.A O no hydrogen 3.114 N/A LEU 137.A N LYS 145.A O no hydrogen 2.843 N/A VAL 138.A N GLY 88.A O no hydrogen 2.752 N/A GLY 139.A N VAL 143.A O no hydrogen 2.726 N/A CYS 144.A N GLN 113.A OE1 no hydrogen 2.866 N/A CYS 144.A SG LEU 142.A O no hydrogen 4.002 N/A LYS 145.A N LEU 137.A O no hydrogen 2.798 N/A LYS 145.A NZ GLU 64.A O no hydrogen 2.876 N/A LYS 145.A NZ GLU 83.A OE1 no hydrogen 3.186 N/A LYS 145.A NZ GLU 83.A OE2 no hydrogen 2.884 N/A VAL 146.A N LYS 65.A O no hydrogen 2.910 N/A ALA 147.A N ASN 135.A O no hydrogen 2.888 N/A ALA 152.A N PHE 149.A O no hydrogen 3.211 N/A ARG 153.A N VAL 127.A O no hydrogen 2.968 N/A ILE 155.A N ASN 125.A O no hydrogen 3.189 N/A ILE 159.A N PHE 157.A O no hydrogen 2.715 N/A LYS 160.A NZ PRO 195.A O no hydrogen 3.051 N/A LYS 160.A NZ TYR 196.A O no hydrogen 2.914 N/A LYS 160.A NZ MET 199.A O no hydrogen 2.867 N/A TRP 161.A N PRO 158.A O no hydrogen 2.793 N/A TRP 161.A NE1 GLU 187.A OE1 no hydrogen 2.912 N/A THR 162.A N PRO 158.A O no hydrogen 3.293 N/A THR 162.A N ILE 159.A O no hydrogen 3.140 N/A THR 162.A OG1 PRO 158.A O no hydrogen 3.072 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.899 N/A ALA 166.A N ALA 163.A O no hydrogen 2.987 N/A ALA 167.A N ALA 163.A O no hydrogen 2.891 N/A LEU 168.A N PRO 164.A O no hydrogen 2.745 N/A TYR 169.A N GLU 165.A O no hydrogen 2.917 N/A GLY 170.A N ALA 166.A O no hydrogen 2.900 N/A ARG 171.A N GLU 165.A O no hydrogen 3.438 N/A THR 173.A N SER 176.A OG no hydrogen 3.009 N/A LYS 175.A N THR 173.A OG1 no hydrogen 3.212 N/A LYS 175.A NZ ARG 239.A O no hydrogen 2.627 N/A LYS 175.A NZ PRO 240.A O no hydrogen 3.333 N/A SER 176.A N THR 173.A O no hydrogen 2.891 N/A SER 176.A OG THR 173.A O no hydrogen 2.550 N/A ASP 177.A N ILE 174.A O no hydrogen 3.044 N/A VAL 178.A N ILE 174.A O no hydrogen 2.981 N/A TRP 179.A N LYS 175.A O no hydrogen 3.048 N/A SER 180.A N SER 176.A O no hydrogen 3.105 N/A SER 180.A OG TRP 161.A O no hydrogen 2.782 N/A SER 180.A OG SER 176.A O no hydrogen 2.977 N/A PHE 181.A N ASP 177.A O no hydrogen 2.835 N/A GLY 182.A N VAL 178.A O no hydrogen 3.114 N/A ILE 183.A N TRP 179.A O no hydrogen 3.279 N/A LEU 184.A N SER 180.A O no hydrogen 2.894 N/A LEU 185.A N PHE 181.A O no hydrogen 2.797 N/A THR 186.A N ILE 183.A O no hydrogen 2.984 N/A THR 186.A OG1 ILE 183.A O no hydrogen 2.488 N/A GLU 187.A N ILE 183.A O no hydrogen 3.299 N/A LEU 188.A N LEU 184.A O no hydrogen 2.985 N/A THR 189.A N LEU 185.A O no hydrogen 3.027 N/A THR 189.A OG1 LEU 185.A O no hydrogen 2.695 N/A THR 189.A OG1 THR 186.A O no hydrogen 3.163 N/A THR 190.A N GLU 187.A O no hydrogen 3.209 N/A THR 190.A OG1 THR 186.A O no hydrogen 2.720 N/A THR 190.A OG1 GLU 187.A O no hydrogen 3.419 N/A LYS 191.A N LEU 188.A O no hydrogen 3.191 N/A LYS 191.A NZ GLY 99.A O no hydrogen 2.681 N/A LYS 191.A NZ LEU 102.A O no hydrogen 2.735 N/A GLY 192.A N GLU 187.A O no hydrogen 2.694 N/A ARG 193.A N THR 190.A OG1 no hydrogen 3.043 N/A MET 199.A N TYR 196.A O no hydrogen 3.149 N/A VAL 200.A N GLU 203.A OE1 no hydrogen 3.102 N/A VAL 204.A N VAL 200.A O no hydrogen 2.955 N/A LEU 205.A N ASN 201.A O no hydrogen 3.210 N/A ASP 206.A N ARG 202.A O no hydrogen 3.008 N/A GLN 207.A N GLU 203.A O no hydrogen 2.846 N/A VAL 208.A N VAL 204.A O no hydrogen 2.880 N/A GLU 209.A N LEU 205.A O no hydrogen 2.901 N/A ARG 210.A N ASP 206.A O no hydrogen 3.035 N/A ARG 210.A NE ASP 206.A OD2 no hydrogen 3.019 N/A GLY 211.A N VAL 208.A O no hydrogen 2.751 N/A TYR 212.A N GLN 207.A O no hydrogen 2.804 N/A ARG 213.A NE TRP 232.A O no hydrogen 2.952 N/A ARG 213.A NH1 VAL 208.A O no hydrogen 3.067 N/A ARG 213.A NH1 TYR 212.A O no hydrogen 2.630 N/A ARG 213.A NH2 TRP 232.A O no hydrogen 3.216 N/A CYS 216.A SG PRO 217.A O no hydrogen 3.534 N/A CYS 216.A SG CYS 220.A O no hydrogen 3.032 N/A CYS 220.A N PRO 217.A O no hydrogen 2.999 N/A CYS 220.A SG PRO 221.A O no hydrogen 3.813 N/A SER 223.A OG TYR 252.A OH no hydrogen 2.741 N/A LEU 224.A N PRO 221.A O no hydrogen 2.759 N/A HIS 225.A N PRO 221.A O no hydrogen 3.082 N/A HIS 225.A NE2 MET 214.A O no hydrogen 3.048 N/A ASP 226.A N GLU 222.A O no hydrogen 2.589 N/A LEU 227.A N SER 223.A O no hydrogen 3.152 N/A MET 228.A N LEU 224.A O no hydrogen 2.940 N/A CYS 229.A N HIS 225.A O no hydrogen 2.978 N/A CYS 229.A SG HIS 225.A O no hydrogen 3.306 N/A GLN 230.A N ASP 226.A O no hydrogen 3.068 N/A GLN 230.A N LEU 227.A O no hydrogen 3.159 N/A CYS 231.A N LEU 227.A O no hydrogen 3.286 N/A CYS 231.A SG VAL 178.A O no hydrogen 3.448 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.655 N/A TRP 232.A N MET 228.A O no hydrogen 3.011 N/A ARG 233.A N GLN 230.A O no hydrogen 3.340 N/A ARG 233.A NE GLU 238.A O no hydrogen 2.776 N/A ARG 233.A NH2 GLU 238.A O no hydrogen 2.908 N/A LYS 234.A NZ GLU 209.A OE1 no hydrogen 3.327 N/A GLU 237.A N GLU 235.A OE1 no hydrogen 3.284 N/A GLU 238.A N GLU 235.A O no hydrogen 2.813 N/A ARG 239.A N PRO 236.A O no hydrogen 3.183 N/A ARG 239.A NE LYS 175.A O no hydrogen 3.544 N/A ARG 239.A NH1 GLU 165.A OE1 no hydrogen 3.392 N/A ARG 239.A NH1 ARG 233.A O no hydrogen 2.724 N/A ARG 239.A NH2 GLU 165.A OE1 no hydrogen 3.046 N/A ARG 239.A NH2 LYS 175.A O no hydrogen 3.439 N/A PHE 242.A N GLU 122.A OE2 no hydrogen 2.864 N/A GLU 243.A N GLU 122.A OE1 no hydrogen 3.109 N/A LEU 245.A N THR 241.A O no hydrogen 2.962 N/A GLN 246.A N PHE 242.A O no hydrogen 2.804 N/A ALA 247.A N GLU 243.A O no hydrogen 3.031 N/A PHE 248.A N TYR 244.A O no hydrogen 2.765 N/A LEU 249.A N LEU 245.A O no hydrogen 2.729 N/A GLU 250.A N GLN 246.A O no hydrogen 2.918 N/A ASP 251.A N ALA 247.A O no hydrogen 3.033 N/A TYR 252.A N LEU 249.A O no hydrogen 3.283 N/A TYR 252.A OH SER 223.A OG no hydrogen 2.741 N/A THR 254.A OG1 PHE 253.A O no hydrogen 2.842 N/A