Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dej_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG GLU 227.A O no hydrogen 3.303 N/A TYR 4.A N GLU 227.A O no hydrogen 2.820 N/A TYR 4.A OH ASP 147.A OD1 no hydrogen 2.574 N/A LYS 5.A NZ ASP 7.A OD1 no hydrogen 2.771 N/A TYR 8.A N SER 79.A OG no hydrogen 3.254 N/A GLU 10.A N LYS 77.A O no hydrogen 2.832 N/A CYS 14.A N GLU 51.A O no hydrogen 2.933 N/A ILE 15.A N VAL 82.A O no hydrogen 2.845 N/A ILE 16.A N ARG 53.A O no hydrogen 3.018 N/A ILE 17.A N VAL 84.A O no hydrogen 2.898 N/A ASN 18.A N LYS 55.A O no hydrogen 2.853 N/A ASN 19.A N LEU 86.A O no hydrogen 2.991 N/A ASN 19.A ND2 LEU 58.A O no hydrogen 3.077 N/A ASN 19.A ND2 PHE 95.A O no hydrogen 3.155 N/A LYS 20.A N ASP 57.A OD2 no hydrogen 2.780 N/A LYS 20.A NZ ASP 35.A OD2 no hydrogen 2.528 N/A ASN 21.A N ASP 57.A OD2 no hydrogen 2.749 N/A ASN 21.A ND2 ASP 57.A OD1 no hydrogen 2.817 N/A HIS 23.A N THR 97.A O no hydrogen 2.708 N/A THR 26.A N HIS 23.A O no hydrogen 2.895 N/A THR 26.A OG1 HIS 23.A O no hydrogen 2.521 N/A THR 26.A OG1 THR 97.A O no hydrogen 3.284 N/A GLY 27.A N LYS 24.A O no hydrogen 3.249 N/A ARG 31.A N LYS 20.A O no hydrogen 2.869 N/A ARG 31.A NH1 ASN 19.A O no hydrogen 3.297 N/A ARG 31.A NH1 THR 34.A OG1 no hydrogen 2.809 N/A SER 32.A N SER 30.A O no hydrogen 3.112 N/A THR 34.A N ARG 31.A O no hydrogen 3.170 N/A VAL 36.A N GLY 33.A O no hydrogen 2.977 N/A ALA 38.A N THR 34.A O no hydrogen 3.125 N/A ALA 39.A N ASP 35.A O no hydrogen 2.792 N/A ASN 40.A N VAL 36.A O no hydrogen 2.878 N/A LEU 41.A N ASP 37.A O no hydrogen 2.725 N/A ARG 42.A N ALA 38.A O no hydrogen 2.865 N/A ARG 42.A NH1 VAL 52.A O no hydrogen 3.303 N/A ARG 42.A NH1 ASN 54.A OD1 no hydrogen 2.692 N/A GLU 43.A N ALA 39.A O no hydrogen 3.114 N/A THR 44.A N ASN 40.A O no hydrogen 3.124 N/A THR 44.A OG1 ASN 40.A O no hydrogen 2.561 N/A PHE 45.A N LEU 41.A O no hydrogen 2.980 N/A ARG 46.A N ARG 42.A O no hydrogen 2.922 N/A ASN 47.A N GLU 43.A O no hydrogen 2.929 N/A LEU 48.A N THR 44.A O no hydrogen 3.050 N/A LYS 49.A N ARG 46.A O no hydrogen 2.723 N/A TYR 50.A N PHE 45.A O no hydrogen 2.941 N/A TYR 50.A OH SER 80.A OG no hydrogen 2.501 N/A GLU 51.A N GLY 12.A O no hydrogen 2.950 N/A ARG 53.A N CYS 14.A O no hydrogen 3.079 N/A ARG 53.A NE GLU 51.A OE1 no hydrogen 3.168 N/A ARG 53.A NH1 GLU 73.A OE2 no hydrogen 2.762 N/A ARG 53.A NH2 GLU 51.A OE1 no hydrogen 3.459 N/A ARG 53.A NH2 GLU 73.A OE1 no hydrogen 2.967 N/A ARG 53.A NH2 GLU 73.A OE2 no hydrogen 2.850 N/A LYS 55.A N ILE 16.A O no hydrogen 2.805 N/A ASP 57.A N ASN 18.A O no hydrogen 2.981 N/A LEU 58.A N ASN 19.A OD1 no hydrogen 2.959 N/A THR 59.A N GLU 62.A OE1 no hydrogen 2.759 N/A THR 59.A OG1 GLU 61.A OE1 no hydrogen 3.124 N/A THR 59.A OG1 GLU 62.A OE1 no hydrogen 3.126 N/A ARG 60.A N ASN 98.A OD1 no hydrogen 2.877 N/A GLU 62.A N THR 59.A OG1 no hydrogen 3.049 N/A ILE 63.A N THR 59.A O no hydrogen 2.919 N/A VAL 64.A N ARG 60.A O no hydrogen 3.035 N/A GLU 65.A N GLU 61.A O no hydrogen 2.824 N/A LEU 66.A N GLU 62.A O no hydrogen 2.756 N/A MET 67.A N ILE 63.A O no hydrogen 2.919 N/A ARG 68.A N VAL 64.A O no hydrogen 2.887 N/A ASP 69.A N GLU 65.A O no hydrogen 3.265 N/A VAL 70.A N LEU 66.A O no hydrogen 3.074 N/A SER 71.A N MET 67.A O no hydrogen 2.870 N/A SER 71.A OG MET 67.A O no hydrogen 3.331 N/A SER 71.A OG ARG 68.A O no hydrogen 2.653 N/A LYS 72.A N ASP 69.A O no hydrogen 2.872 N/A GLU 73.A N ASP 69.A O no hydrogen 3.185 N/A GLU 73.A N VAL 70.A O no hydrogen 3.261 N/A HIS 75.A N SER 117.A OG no hydrogen 3.037 N/A HIS 75.A NE2 VAL 70.A O no hydrogen 2.878 N/A SER 76.A OG ASP 74.A OD1 no hydrogen 2.879 N/A SER 76.A OG ASP 74.A OD2 no hydrogen 3.135 N/A ARG 78.A N HIS 75.A O no hydrogen 3.225 N/A ARG 78.A NH1 GLU 73.A OE1 no hydrogen 3.090 N/A ARG 78.A NH1 HIS 75.A ND1 no hydrogen 3.210 N/A ARG 78.A NH2 GLU 51.A OE2 no hydrogen 3.550 N/A ARG 78.A NH2 GLU 73.A OE1 no hydrogen 3.349 N/A SER 79.A N GLU 10.A O no hydrogen 2.643 N/A SER 79.A OG LYS 5.A O no hydrogen 3.376 N/A SER 80.A N MET 11.A O no hydrogen 2.704 N/A SER 80.A OG MET 11.A O no hydrogen 3.102 N/A SER 80.A OG TYR 50.A OH no hydrogen 2.501 N/A PHE 81.A N PRO 122.A O no hydrogen 3.022 N/A VAL 82.A N LEU 13.A O no hydrogen 2.856 N/A CYS 83.A N LEU 124.A O no hydrogen 2.991 N/A VAL 84.A N ILE 15.A O no hydrogen 2.753 N/A LEU 85.A N ILE 126.A O no hydrogen 2.869 N/A LEU 86.A N ILE 17.A O no hydrogen 2.875 N/A SER 87.A N GLN 128.A O no hydrogen 3.286 N/A SER 87.A OG HIS 88.A O no hydrogen 3.480 N/A SER 87.A OG PHE 95.A O no hydrogen 2.700 N/A HIS 88.A NE2 THR 29.A O no hydrogen 2.753 N/A GLU 90.A N ILE 93.A O no hydrogen 2.871 N/A ILE 93.A N GLU 90.A O no hydrogen 2.709 N/A ILE 94.A N VAL 101.A O no hydrogen 3.020 N/A PHE 95.A N HIS 88.A O no hydrogen 2.861 N/A GLY 96.A N GLY 99.A O no hydrogen 2.764 N/A THR 97.A N LEU 58.A O no hydrogen 2.855 N/A THR 97.A OG1 HIS 23.A NE2 no hydrogen 3.408 N/A THR 97.A OG1 LEU 58.A O no hydrogen 3.337 N/A ASN 98.A ND2 GLU 61.A OE1 no hydrogen 3.306 N/A ASN 98.A ND2 GLU 61.A OE2 no hydrogen 3.332 N/A GLY 99.A N GLY 96.A O no hydrogen 3.312 N/A VAL 101.A N ILE 94.A O no hydrogen 2.814 N/A LEU 103.A N GLY 92.A O no hydrogen 2.841 N/A LYS 105.A N ASP 102.A O no hydrogen 3.155 N/A THR 107.A N LEU 103.A O no hydrogen 3.021 N/A THR 107.A OG1 LYS 104.A O no hydrogen 3.335 N/A ASN 108.A N LYS 104.A O no hydrogen 2.994 N/A PHE 110.A N THR 107.A O no hydrogen 2.888 N/A ARG 111.A N ASN 108.A O no hydrogen 3.074 N/A ARG 111.A NE ASP 113.A OD1 no hydrogen 3.114 N/A ARG 111.A NH2 ASP 113.A OD1 no hydrogen 3.297 N/A ARG 111.A NH2 ASP 113.A OD2 no hydrogen 2.675 N/A GLY 112.A N VAL 144.A O no hydrogen 3.179 N/A ARG 114.A N ARG 111.A O no hydrogen 2.767 N/A CYS 115.A N ARG 111.A O no hydrogen 3.046 N/A CYS 115.A SG SER 71.A O no hydrogen 3.469 N/A LEU 118.A N CYS 115.A O no hydrogen 2.997 N/A THR 119.A N ARG 116.A O no hydrogen 3.296 N/A THR 119.A OG1 GLY 112.A O no hydrogen 2.808 N/A THR 119.A OG1 ARG 116.A O no hydrogen 2.859 N/A LYS 121.A N LEU 118.A O no hydrogen 2.874 N/A LYS 121.A NZ HIS 75.A O no hydrogen 2.698 N/A LYS 121.A NZ SER 76.A O no hydrogen 3.106 N/A LYS 121.A NZ ARG 78.A O no hydrogen 2.629 N/A LYS 121.A NZ SER 117.A O no hydrogen 3.239 N/A LYS 123.A N ASP 147.A O no hydrogen 2.823 N/A LYS 123.A NZ LEU 118.A O no hydrogen 3.395 N/A LYS 123.A NZ LYS 121.A O no hydrogen 2.923 N/A LEU 124.A N PHE 81.A O no hydrogen 2.880 N/A PHE 125.A N LEU 149.A O no hydrogen 2.720 N/A ILE 126.A N CYS 83.A O no hydrogen 3.079 N/A ILE 127.A N ALA 151.A O no hydrogen 2.885 N/A GLN 128.A N LEU 85.A O no hydrogen 2.793 N/A GLN 128.A NE2 SER 160.A OG no hydrogen 2.711 N/A ARG 130.A NH1 THR 154.A O no hydrogen 3.040 N/A ARG 130.A NH2 GLU 91.A OE2 no hydrogen 3.192 N/A GLU 133.A N GLY 157.A O no hydrogen 3.286 N/A GLY 137.A N ASP 135.A OD1 no hydrogen 2.800 N/A ALA 146.A N PRO 143.A O no hydrogen 3.163 N/A ASP 147.A N MET 223.A O no hydrogen 2.901 N/A LEU 149.A N LYS 123.A O no hydrogen 2.887 N/A TYR 150.A N VAL 221.A O no hydrogen 2.727 N/A ALA 151.A N PHE 125.A O no hydrogen 2.684 N/A TYR 152.A N CYS 219.A O no hydrogen 3.281 N/A SER 153.A N ILE 127.A O no hydrogen 2.994 N/A SER 153.A OG ILE 127.A O no hydrogen 3.505 N/A SER 153.A OG SER 160.A OG no hydrogen 2.560 N/A GLY 157.A N GLU 91.A OE1 no hydrogen 3.219 N/A TYR 158.A N ALA 155.A O no hydrogen 3.115 N/A TYR 159.A N GLU 133.A O no hydrogen 2.926 N/A SER 160.A OG SER 153.A OG no hydrogen 2.560 N/A TRP 161.A N GLN 216.A OE1 no hydrogen 2.657 N/A ASN 163.A N GLY 167.A O no hydrogen 3.139 N/A LYS 165.A N ASN 163.A OD1 no hydrogen 2.913 N/A ASP 166.A N ASN 163.A OD1 no hydrogen 2.746 N/A GLY 167.A N ASN 163.A O no hydrogen 2.845 N/A SER 168.A N ASP 37.A OD1 no hydrogen 2.988 N/A SER 168.A N ASP 37.A OD2 no hydrogen 3.350 N/A SER 168.A OG ASP 37.A OD2 no hydrogen 2.812 N/A SER 168.A OG GLN 128.A OE1 no hydrogen 3.360 N/A TRP 169.A N TRP 161.A O no hydrogen 3.330 N/A ILE 171.A N SER 168.A OG no hydrogen 3.182 N/A GLN 172.A N SER 168.A O no hydrogen 2.866 N/A SER 173.A N TRP 169.A O no hydrogen 3.036 N/A SER 173.A OG TRP 169.A O no hydrogen 2.947 N/A LEU 174.A N PHE 170.A O no hydrogen 2.749 N/A CYS 175.A N ILE 171.A O no hydrogen 2.905 N/A CYS 175.A SG THR 44.A OG1 no hydrogen 3.277 N/A ALA 176.A N GLN 172.A O no hydrogen 3.159 N/A MET 177.A N SER 173.A O no hydrogen 2.867 N/A LEU 178.A N LEU 174.A O no hydrogen 2.774 N/A LYS 179.A N CYS 175.A O no hydrogen 2.908 N/A GLN 180.A N ALA 176.A O no hydrogen 3.048 N/A GLN 180.A NE2 TYR 181.A OH no hydrogen 3.265 N/A TYR 181.A N LEU 178.A O no hydrogen 3.402 N/A ALA 182.A N LEU 178.A O no hydrogen 2.952 N/A LYS 184.A N TYR 181.A O no hydrogen 2.662 N/A LEU 185.A N TYR 181.A O no hydrogen 2.920 N/A PHE 187.A N LEU 228.A O no hydrogen 2.861 N/A MET 188.A N GLU 186.A OE2 no hydrogen 3.450 N/A HIS 189.A N GLU 186.A O no hydrogen 2.972 N/A ILE 190.A N GLU 186.A O no hydrogen 3.147 N/A LEU 191.A N PHE 187.A O no hydrogen 2.873 N/A THR 192.A N MET 188.A O no hydrogen 2.893 N/A THR 192.A OG1 MET 188.A O no hydrogen 2.670 N/A ARG 193.A N HIS 189.A O no hydrogen 2.938 N/A VAL 194.A N ILE 190.A O no hydrogen 2.842 N/A ASN 195.A N LEU 191.A O no hydrogen 2.913 N/A ARG 196.A N THR 192.A O no hydrogen 3.191 N/A LYS 197.A N ARG 193.A O no hydrogen 2.974 N/A LYS 197.A NZ GLU 201.A OE1 no hydrogen 2.469 N/A LYS 197.A NZ GLU 201.A OE2 no hydrogen 3.332 N/A VAL 198.A N VAL 194.A O no hydrogen 2.978 N/A ALA 199.A N ASN 195.A O no hydrogen 2.771 N/A THR 200.A N ARG 196.A O no hydrogen 2.893 N/A THR 200.A OG1 ARG 196.A O no hydrogen 2.765 N/A GLU 201.A N LYS 197.A O no hydrogen 2.920 N/A SER 204.A N LYS 214.A O no hydrogen 2.788 N/A SER 204.A OG PHE 211.A O no hydrogen 2.672 N/A SER 206.A N HIS 212.A ND1 no hydrogen 3.192 N/A SER 206.A OG ASP 208.A O no hydrogen 2.946 N/A ASP 208.A N SER 206.A OG no hydrogen 2.938 N/A THR 210.A N ASP 208.A OD1 no hydrogen 2.929 N/A THR 210.A OG1 ASP 208.A OD1 no hydrogen 3.257 N/A PHE 211.A N ASP 208.A O no hydrogen 2.994 N/A HIS 212.A N ALA 209.A O no hydrogen 2.942 N/A ALA 213.A N SER 204.A O no hydrogen 2.748 N/A LYS 214.A N SER 204.A OG no hydrogen 2.887 N/A LYS 215.A N ASP 135.A O no hydrogen 2.883 N/A LYS 215.A NZ ALA 199.A O no hydrogen 2.687 N/A LYS 215.A NZ PHE 202.A O no hydrogen 2.892 N/A GLN 216.A NE2 SER 153.A O no hydrogen 2.605 N/A CYS 219.A N TYR 152.A O no hydrogen 3.144 N/A VAL 221.A N TYR 150.A O no hydrogen 2.822 N/A MET 223.A N PHE 148.A O no hydrogen 2.863 N/A LEU 224.A N SER 222.A OG no hydrogen 3.166 N/A THR 225.A N TYR 4.A OH no hydrogen 2.991 N/A THR 225.A OG1 ASP 147.A OD1 no hydrogen 2.871 N/A GLU 227.A N ASN 2.A O no hydrogen 2.789 N/A LEU 228.A N GLU 186.A OE2 no hydrogen 3.020 N/A TYR 229.A OH GLU 227.A OE1 no hydrogen 2.702 N/A TYR 231.A OH LYS 184.A O no hydrogen 3.093 N/A