Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xke_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 5.A OD2 no hydrogen 3.036 N/A SER 1.A OG ASP 67.A OD2 no hydrogen 3.558 N/A ARG 2.A N ASP 5.A OD2 no hydrogen 3.048 N/A ASP 5.A N ARG 2.A O no hydrogen 3.017 N/A TYR 6.A N ALA 3.A O no hydrogen 3.095 N/A GLU 7.A N ARG 21.A O no hydrogen 2.939 N/A LEU 9.A N LYS 19.A O no hydrogen 2.836 N/A ILE 12.A N CYS 17.A O no hydrogen 2.623 N/A GLY 13.A N CYS 17.A O no hydrogen 3.265 N/A ARG 16.A N GLU 33.A O no hydrogen 3.448 N/A ARG 16.A NE GLU 33.A OE1 no hydrogen 3.161 N/A ARG 16.A NH2 GLU 33.A OE1 no hydrogen 3.061 N/A ARG 16.A NH2 GLU 33.A OE2 no hydrogen 2.817 N/A CYS 17.A N GLY 13.A O no hydrogen 2.761 N/A GLN 18.A N TRP 31.A O no hydrogen 2.986 N/A GLN 18.A NE2 THR 11.A OG1 no hydrogen 3.097 N/A LYS 19.A N TYR 10.A O no hydrogen 2.859 N/A LYS 19.A NZ TYR 10.A OH no hydrogen 3.502 N/A LYS 19.A NZ TYR 83.A OH no hydrogen 3.226 N/A ILE 20.A N LEU 29.A O no hydrogen 2.959 N/A ARG 21.A N GLU 7.A O no hydrogen 2.858 N/A ARG 22.A N LYS 27.A O no hydrogen 2.886 N/A ARG 22.A NE ASP 25.A OD1 no hydrogen 2.823 N/A ARG 22.A NH2 ASP 25.A OD1 no hydrogen 3.483 N/A ARG 22.A NH2 ASP 25.A OD2 no hydrogen 2.603 N/A LYS 23.A N ASP 5.A O no hydrogen 2.963 N/A LYS 23.A NZ GLU 4.A O no hydrogen 2.876 N/A GLY 26.A N ARG 22.A O no hydrogen 2.750 N/A LYS 27.A N ASP 25.A OD1 no hydrogen 3.183 N/A LEU 29.A N ILE 20.A O no hydrogen 3.006 N/A VAL 30.A N MET 81.A O no hydrogen 2.948 N/A TRP 31.A N GLN 18.A O no hydrogen 3.007 N/A TRP 31.A NE1 GLN 18.A OE1 no hydrogen 3.007 N/A LYS 32.A N ILE 79.A O no hydrogen 2.957 N/A GLU 33.A N ARG 16.A O no hydrogen 2.759 N/A LEU 34.A N LEU 77.A O no hydrogen 2.679 N/A TYR 36.A N THR 75.A O no hydrogen 2.908 N/A MET 39.A N TYR 36.A O no hydrogen 2.995 N/A THR 40.A N GLU 43.A OE1 no hydrogen 3.455 N/A GLU 43.A N THR 40.A OG1 no hydrogen 3.093 N/A LYS 44.A N THR 40.A O no hydrogen 2.882 N/A GLN 45.A N GLU 41.A O no hydrogen 2.878 N/A GLN 45.A NE2 GLN 45.A O no hydrogen 2.876 N/A MET 46.A N ALA 42.A O no hydrogen 3.317 N/A LEU 47.A N GLU 43.A O no hydrogen 3.142 N/A VAL 48.A N LYS 44.A O no hydrogen 2.946 N/A SER 49.A N GLN 45.A O no hydrogen 3.054 N/A GLU 50.A N MET 46.A O no hydrogen 3.053 N/A VAL 51.A N LEU 47.A O no hydrogen 2.990 N/A ASN 52.A N VAL 48.A O no hydrogen 3.107 N/A LEU 53.A N SER 49.A O no hydrogen 3.254 N/A LEU 54.A N GLU 50.A O no hydrogen 3.172 N/A ARG 55.A N VAL 51.A O no hydrogen 3.320 N/A ARG 55.A NH2 TYR 66.A O no hydrogen 3.193 N/A GLU 56.A N LEU 53.A O no hydrogen 3.358 N/A LEU 57.A N LEU 54.A O no hydrogen 3.274 N/A ASN 61.A N HIS 59.A ND1 no hydrogen 2.911 N/A ASN 61.A ND2 GLN 114.A OE1 no hydrogen 2.857 N/A ASN 61.A ND2 VAL 141.A O no hydrogen 2.915 N/A ILE 62.A N HIS 59.A O no hydrogen 3.199 N/A VAL 63.A N LEU 143.A O no hydrogen 2.885 N/A ARG 64.A N GLU 82.A OE1 no hydrogen 2.628 N/A TYR 66.A N VAL 80.A O no hydrogen 2.880 N/A ASP 67.A N VAL 80.A O no hydrogen 3.411 N/A ARG 68.A N ASP 67.A OD1 no hydrogen 2.875 N/A ARG 68.A NH1 ASN 52.A OD1 no hydrogen 2.944 N/A ILE 69.A N TYR 78.A O no hydrogen 2.766 N/A ASP 71.A N THR 76.A O no hydrogen 2.879 N/A THR 73.A OG1 ASP 71.A OD1 no hydrogen 3.447 N/A THR 73.A OG1 ASP 71.A OD2 no hydrogen 3.001 N/A ASN 74.A N ASP 71.A O no hydrogen 2.916 N/A THR 75.A N ARG 72.A O no hydrogen 3.286 N/A THR 75.A OG1 ASP 35.A OD2 no hydrogen 2.863 N/A THR 75.A OG1 ASN 74.A O no hydrogen 2.802 N/A THR 76.A N ASP 71.A O no hydrogen 3.084 N/A THR 76.A OG1 ASN 74.A O no hydrogen 3.121 N/A LEU 77.A N LEU 34.A O no hydrogen 2.787 N/A TYR 78.A N ILE 69.A O no hydrogen 2.801 N/A ILE 79.A N LYS 32.A O no hydrogen 2.952 N/A VAL 80.A N ASP 67.A O no hydrogen 3.009 N/A MET 81.A N VAL 30.A O no hydrogen 2.777 N/A GLU 82.A N ARG 64.A O no hydrogen 2.956 N/A GLY 86.A N LEU 135.A O no hydrogen 2.696 N/A GLY 87.A N CYS 84.A O no hydrogen 3.106 N/A LEU 89.A N VAL 133.A O no hydrogen 2.864 N/A ALA 90.A N PRO 130.A O no hydrogen 3.338 N/A SER 91.A N ASP 88.A OD2 no hydrogen 3.419 N/A SER 91.A OG ASP 88.A OD1 no hydrogen 2.946 N/A ILE 93.A N LEU 89.A O no hydrogen 3.025 N/A THR 94.A N ALA 90.A O no hydrogen 2.993 N/A THR 94.A OG1 ALA 90.A O no hydrogen 3.182 N/A LYS 95.A N SER 91.A O no hydrogen 2.953 N/A GLY 96.A N VAL 92.A O no hydrogen 3.064 N/A THR 97.A N ILE 93.A O no hydrogen 3.004 N/A THR 97.A OG1 ILE 93.A O no hydrogen 3.054 N/A LYS 98.A N THR 94.A O no hydrogen 3.044 N/A GLU 99.A N LYS 95.A O no hydrogen 2.881 N/A ARG 100.A N THR 97.A O no hydrogen 3.201 N/A GLN 101.A N GLY 96.A O no hydrogen 2.883 N/A GLN 101.A NE2 TYR 102.A O no hydrogen 3.214 N/A PHE 107.A N ASP 104.A O no hydrogen 3.005 N/A VAL 108.A N ASP 104.A O no hydrogen 3.174 N/A LEU 109.A N GLU 105.A O no hydrogen 2.827 N/A ARG 110.A N GLU 106.A O no hydrogen 3.086 N/A VAL 111.A N PHE 107.A O no hydrogen 3.012 N/A MET 112.A N VAL 108.A O no hydrogen 2.916 N/A THR 113.A N LEU 109.A O no hydrogen 2.894 N/A THR 113.A OG1 LEU 109.A O no hydrogen 2.825 N/A GLN 114.A N ARG 110.A O no hydrogen 2.911 N/A GLN 114.A NE2 GLN 139.A O no hydrogen 3.547 N/A GLN 114.A NE2 HIS 239.A O no hydrogen 2.872 N/A LEU 115.A N VAL 111.A O no hydrogen 2.836 N/A THR 116.A N MET 112.A O no hydrogen 2.971 N/A THR 116.A OG1 MET 112.A O no hydrogen 2.617 N/A LEU 117.A N THR 113.A O no hydrogen 3.172 N/A ALA 118.A N GLN 114.A O no hydrogen 2.979 N/A LEU 119.A N LEU 115.A O no hydrogen 2.922 N/A LYS 120.A N THR 116.A O no hydrogen 2.891 N/A GLU 121.A N LEU 117.A O no hydrogen 3.088 N/A CYS 122.A N ALA 118.A O no hydrogen 2.938 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.400 N/A HIS 123.A N LEU 119.A O no hydrogen 2.870 N/A HIS 123.A NE2 ASP 162.A OD2 no hydrogen 2.612 N/A ARG 124.A N LYS 120.A O no hydrogen 3.042 N/A ARG 124.A NE GLU 121.A OE1 no hydrogen 3.158 N/A ARG 124.A NH2 GLU 121.A OE2 no hydrogen 2.968 N/A ARG 125.A N GLU 121.A O no hydrogen 3.137 N/A ARG 125.A NE GLU 121.A OE2 no hydrogen 2.910 N/A ARG 125.A NH1 GLU 56.A O no hydrogen 3.150 N/A ARG 125.A NH2 GLU 56.A O no hydrogen 2.794 N/A ARG 125.A NH2 GLU 121.A OE2 no hydrogen 3.459 N/A SER 126.A N HIS 123.A O no hydrogen 3.145 N/A ASN 132.A N LYS 129.A O no hydrogen 2.955 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.988 N/A VAL 133.A N PRO 130.A O no hydrogen 3.108 N/A PHE 134.A N LYS 142.A O no hydrogen 2.829 N/A LEU 135.A N GLY 87.A O no hydrogen 2.872 N/A ASP 136.A N ASN 140.A O no hydrogen 3.134 N/A LYS 138.A N ASP 136.A OD1 no hydrogen 2.904 N/A LYS 138.A NZ HIS 243.A OXT no hydrogen 3.110 N/A ASN 140.A N ASP 136.A OD1 no hydrogen 2.875 N/A ASN 140.A ND2 ASP 136.A OD2 no hydrogen 2.778 N/A ASN 140.A ND2 HIS 242.A O no hydrogen 2.903 N/A VAL 141.A N GLN 114.A OE1 no hydrogen 2.868 N/A LYS 142.A N PHE 134.A O no hydrogen 2.762 N/A LYS 142.A NZ PRO 60.A O no hydrogen 3.042 N/A LYS 142.A NZ GLU 82.A OE1 no hydrogen 3.407 N/A LYS 142.A NZ GLU 82.A OE2 no hydrogen 3.118 N/A LEU 143.A N ASN 61.A O no hydrogen 2.851 N/A GLY 144.A N ASN 132.A O no hydrogen 3.040 N/A TYR 149.A N THR 147.A O no hydrogen 2.968 N/A TYR 150.A OH GLU 172.A OE1 no hydrogen 2.530 N/A MET 151.A N PRO 148.A O no hydrogen 3.050 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 3.057 N/A GLN 155.A N SER 152.A OG no hydrogen 3.264 N/A MET 156.A N SER 152.A O no hydrogen 2.866 N/A ASN 157.A N PRO 153.A O no hydrogen 3.175 N/A ASN 157.A N GLU 154.A O no hydrogen 2.912 N/A ASN 158.A ND2 ASP 220.A OD1 no hydrogen 2.671 N/A LYS 160.A N ASN 158.A OD1 no hydrogen 2.896 N/A LYS 160.A NZ ASP 220.A O no hydrogen 3.514 N/A LYS 160.A NZ ARG 223.A O no hydrogen 2.982 N/A SER 161.A N ASN 158.A O no hydrogen 3.078 N/A SER 161.A OG GLU 154.A OE2 no hydrogen 2.721 N/A SER 161.A OG ASN 158.A O no hydrogen 3.249 N/A ILE 163.A N GLU 159.A O no hydrogen 3.405 N/A TRP 164.A N LYS 160.A O no hydrogen 3.090 N/A SER 165.A N SER 161.A O no hydrogen 3.162 N/A SER 165.A OG TYR 150.A O no hydrogen 3.470 N/A SER 165.A OG SER 161.A O no hydrogen 3.284 N/A LEU 166.A N ASP 162.A O no hydrogen 2.962 N/A GLY 167.A N ILE 163.A O no hydrogen 2.925 N/A CYS 168.A N TRP 164.A O no hydrogen 2.976 N/A CYS 168.A SG TRP 164.A O no hydrogen 3.610 N/A LEU 169.A N SER 165.A O no hydrogen 3.033 N/A LEU 170.A N LEU 166.A O no hydrogen 2.769 N/A TYR 171.A N GLY 167.A O no hydrogen 2.808 N/A TYR 171.A OH ARG 198.A O no hydrogen 2.727 N/A GLU 172.A N CYS 168.A O no hydrogen 2.879 N/A LEU 173.A N LEU 169.A O no hydrogen 2.963 N/A CYS 174.A N LEU 170.A O no hydrogen 3.173 N/A CYS 174.A SG LEU 170.A O no hydrogen 3.463 N/A ALA 175.A N TYR 171.A O no hydrogen 2.871 N/A LEU 176.A N GLU 172.A O no hydrogen 2.746 N/A PHE 183.A N GLU 187.A OE1 no hydrogen 2.562 N/A LEU 188.A N SER 184.A O no hydrogen 2.814 N/A ALA 189.A N GLN 185.A O no hydrogen 2.803 N/A GLY 190.A N LYS 186.A O no hydrogen 3.152 N/A LYS 191.A N GLU 187.A O no hydrogen 3.099 N/A LYS 191.A NZ THR 181.A O no hydrogen 2.917 N/A ILE 192.A N LEU 188.A O no hydrogen 2.955 N/A ARG 193.A N ALA 189.A O no hydrogen 3.013 N/A GLU 194.A N GLY 190.A O no hydrogen 3.276 N/A GLU 194.A N LYS 191.A O no hydrogen 3.160 N/A GLY 195.A N LYS 191.A O no hydrogen 3.131 N/A ARG 199.A NH1 ILE 200.A O no hydrogen 2.864 N/A ARG 199.A NH1 TYR 204.A O no hydrogen 3.245 N/A ARG 199.A NH2 TYR 204.A O no hydrogen 2.882 N/A ARG 199.A NH2 ASP 206.A OD1 no hydrogen 2.975 N/A TYR 204.A N PRO 201.A O no hydrogen 3.030 N/A TYR 204.A OH LEU 103.A O no hydrogen 2.602 N/A SER 205.A N GLU 105.A OE1 no hydrogen 3.045 N/A SER 205.A OG GLU 105.A OE2 no hydrogen 2.777 N/A SER 205.A OG GLU 207.A OE1 no hydrogen 3.476 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.674 N/A LEU 208.A N SER 205.A OG no hydrogen 3.038 N/A ASN 209.A N SER 205.A O no hydrogen 2.966 N/A GLU 210.A N ASP 206.A O no hydrogen 2.788 N/A ILE 211.A N GLU 207.A O no hydrogen 3.205 N/A ILE 212.A N LEU 208.A O no hydrogen 3.161 N/A THR 213.A N ASN 209.A O no hydrogen 3.007 N/A THR 213.A OG1 ASN 209.A O no hydrogen 2.715 N/A ARG 214.A N GLU 210.A O no hydrogen 2.995 N/A MET 215.A N ILE 211.A O no hydrogen 3.052 N/A LEU 216.A N ILE 212.A O no hydrogen 3.179 N/A LEU 216.A N THR 213.A O no hydrogen 3.021 N/A ASN 217.A N ARG 214.A O no hydrogen 3.071 N/A LYS 219.A N ASN 217.A OD1 no hydrogen 3.077 N/A HIS 222.A N LYS 219.A O no hydrogen 2.878 N/A ARG 223.A N ASP 220.A O no hydrogen 3.154 N/A ARG 223.A NE ASN 217.A O no hydrogen 2.699 N/A ARG 223.A NH1 GLU 154.A OE1 no hydrogen 3.223 N/A ARG 223.A NH1 GLU 154.A OE2 no hydrogen 2.619 N/A ARG 223.A NH1 LYS 160.A O no hydrogen 2.986 N/A ARG 223.A NH2 GLU 154.A OE1 no hydrogen 2.815 N/A ARG 223.A NH2 ASN 217.A O no hydrogen 3.189 N/A SER 225.A N GLU 228.A OE2 no hydrogen 2.914 N/A GLU 227.A N GLU 227.A OE2 no hydrogen 2.908 N/A GLU 228.A N SER 225.A OG no hydrogen 3.118 N/A ILE 229.A N SER 225.A O no hydrogen 2.872 N/A LEU 230.A N VAL 226.A O no hydrogen 3.161 N/A GLU 231.A N GLU 227.A O no hydrogen 3.156 N/A ASN 232.A N ILE 229.A O no hydrogen 2.944 N/A LEU 234.A N ASN 232.A OD1 no hydrogen 3.038 N/A ILE 235.A N ASN 232.A O no hydrogen 3.012 N/A LEU 236.A N HIS 239.A ND1 no hydrogen 2.918 N/A HIS 238.A NE2 GLU 106.A OE2 no hydrogen 2.682 N/A HIS 239.A N LEU 236.A O no hydrogen 3.166 N/A HIS 239.A NE2 GLU 106.A OE1 no hydrogen 3.004 N/A HIS 240.A N GLU 237.A O no hydrogen 2.952 N/A HIS 240.A ND1 LEU 236.A O no hydrogen 2.916 N/A HIS 242.A N ASN 140.A OD1 no hydrogen 2.975 N/A HIS 242.A NE2 GLU 237.A OE1 no hydrogen 3.040 N/A HIS 242.A NE2 GLU 237.A OE2 no hydrogen 3.085 N/A