Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bkx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLU 1.A OE1 no hydrogen 2.977 N/A ARG 3.A NE ASP 60.A OD1 no hydrogen 2.988 N/A ARG 3.A NH2 ASP 60.A OD1 no hydrogen 3.129 N/A ARG 3.A NH2 GLN 61.A OE1 no hydrogen 2.925 N/A ASP 5.A N GLU 1.A O no hydrogen 3.190 N/A TYR 6.A N LYS 2.A O no hydrogen 2.678 N/A ILE 7.A N ARG 3.A O no hydrogen 3.084 N/A THR 8.A N LEU 4.A O no hydrogen 2.928 N/A THR 8.A OG1 LEU 4.A O no hydrogen 2.697 N/A ASP 9.A N ASP 5.A O no hydrogen 3.025 N/A LEU 10.A N ILE 7.A O no hydrogen 3.032 N/A ALA 18.A N THR 15.A O no hydrogen 3.094 N/A ARG 19.A NE ASP 9.A OD1 no hydrogen 2.888 N/A ARG 19.A NH1 ASP 5.A OD1 no hydrogen 3.535 N/A ARG 19.A NH2 ASP 5.A OD1 no hydrogen 2.852 N/A ARG 19.A NH2 ASP 9.A OD1 no hydrogen 3.019 N/A ARG 19.A NH2 ASP 9.A OD2 no hydrogen 3.562 N/A THR 20.A OG1 ASN 17.A O no hydrogen 3.097 N/A ILE 21.A N ASN 17.A O no hydrogen 3.054 N/A GLN 22.A N ALA 18.A O no hydrogen 2.856 N/A GLN 22.A NE2 GLN 22.A O no hydrogen 3.109 N/A GLN 22.A NE2 THR 26.A OG1 no hydrogen 2.898 N/A GLN 22.A NE2 ASP 53.A OD1 no hydrogen 2.820 N/A ARG 23.A N ARG 19.A O no hydrogen 2.735 N/A ARG 23.A NE ASP 5.A OD1 no hydrogen 2.950 N/A ARG 23.A NH2 ASP 5.A OD2 no hydrogen 3.050 N/A ARG 24.A N THR 20.A O no hydrogen 3.333 N/A ARG 24.A NE ASP 219.A OD1 no hydrogen 3.157 N/A ARG 24.A NH2 ASP 219.A OD1 no hydrogen 2.805 N/A ARG 24.A NH2 ASP 219.A OD2 no hydrogen 3.307 N/A GLN 25.A N ILE 21.A O no hydrogen 3.086 N/A GLN 25.A NE2 ASP 220.A OD1 no hydrogen 2.802 N/A THR 26.A N GLN 22.A O no hydrogen 2.798 N/A THR 26.A OG1 GLN 22.A O no hydrogen 3.314 N/A ALA 27.A N ARG 23.A O no hydrogen 2.850 N/A HIS 28.A N ARG 24.A O no hydrogen 3.191 N/A HIS 28.A ND1 ASP 215.A OD2 no hydrogen 2.859 N/A HIS 28.A NE2 HIS 127.A NE2 no hydrogen 2.812 N/A ARG 29.A N GLN 25.A O no hydrogen 3.257 N/A ARG 29.A NH1 GLN 25.A O no hydrogen 2.838 N/A ARG 29.A NH1 GLN 25.A OE1 no hydrogen 2.948 N/A ARG 29.A NH2 GLN 25.A OE1 no hydrogen 3.390 N/A LEU 30.A N THR 26.A O no hydrogen 3.067 N/A ALA 31.A N ALA 27.A O no hydrogen 3.105 N/A ILE 32.A N HIS 28.A O no hydrogen 3.007 N/A ALA 33.A N ARG 29.A O no hydrogen 2.895 N/A GLU 34.A N LEU 30.A O no hydrogen 2.842 N/A ALA 35.A N ALA 31.A O no hydrogen 2.894 N/A TRP 36.A N ILE 32.A O no hydrogen 2.934 N/A TRP 36.A NE1 VAL 153.A O no hydrogen 3.113 N/A GLN 37.A N GLU 34.A O no hydrogen 3.064 N/A VAL 38.A N ALA 33.A O no hydrogen 3.227 N/A LYS 39.A N GLU 42.A OE2 no hydrogen 3.249 N/A GLY 41.A N VAL 62.A O no hydrogen 2.744 N/A LYS 43.A N ASP 121.A OD2 no hydrogen 2.936 N/A ILE 44.A N HIS 67.A O no hydrogen 2.828 N/A LEU 45.A N ARG 122.A O no hydrogen 3.031 N/A GLU 46.A N THR 69.A O no hydrogen 2.832 N/A ILE 47.A N VAL 124.A O no hydrogen 2.870 N/A GLY 48.A N ILE 71.A O no hydrogen 2.767 N/A CYS 49.A N ILE 71.A O no hydrogen 2.980 N/A CYS 49.A SG GLY 50.A O no hydrogen 3.809 N/A GLY 50.A N ASP 72.A OD2 no hydrogen 2.855 N/A GLY 52.A N CYS 49.A O no hydrogen 2.954 N/A SER 55.A OG GLU 46.A OE1 no hydrogen 2.329 N/A ALA 56.A N GLY 52.A O no hydrogen 2.787 N/A LEU 58.A N LEU 54.A O no hydrogen 2.812 N/A ALA 59.A N SER 55.A O no hydrogen 2.864 N/A ASP 60.A N ALA 56.A O no hydrogen 3.126 N/A GLN 61.A N VAL 57.A O no hydrogen 3.019 N/A GLN 61.A NE2 VAL 38.A O no hydrogen 3.077 N/A VAL 62.A N LEU 58.A O no hydrogen 2.895 N/A GLY 63.A N ASP 60.A O no hydrogen 3.347 N/A GLY 66.A N GLY 63.A O no hydrogen 2.987 N/A HIS 67.A N GLU 42.A O no hydrogen 3.132 N/A HIS 67.A NE2 THR 101.A OG1 no hydrogen 2.812 N/A VAL 68.A N ARG 99.A O no hydrogen 2.883 N/A THR 69.A N ILE 44.A O no hydrogen 2.928 N/A GLY 70.A N THR 101.A O no hydrogen 2.911 N/A ILE 71.A N GLU 46.A O no hydrogen 2.841 N/A ASP 72.A N HIS 103.A O no hydrogen 3.073 N/A ALA 74.A N ASP 72.A OD1 no hydrogen 2.750 N/A ASP 77.A N SER 75.A OG no hydrogen 2.888 N/A TYR 78.A N SER 75.A O no hydrogen 3.331 N/A THR 83.A N GLN 86.A OE1 no hydrogen 3.065 N/A THR 83.A OG1 PRO 76.A O no hydrogen 3.219 N/A LEU 84.A N TYR 78.A O no hydrogen 2.726 N/A GLY 85.A N PRO 76.A O no hydrogen 2.904 N/A GLN 86.A N THR 83.A OG1 no hydrogen 3.017 N/A ALA 87.A N THR 83.A O no hydrogen 3.093 N/A TRP 88.A N LEU 84.A O no hydrogen 3.060 N/A TRP 88.A NE1 GLY 50.A O no hydrogen 2.868 N/A ASN 89.A N GLY 85.A O no hydrogen 2.824 N/A HIS 90.A N GLN 86.A O no hydrogen 3.136 N/A LEU 91.A N ALA 87.A O no hydrogen 3.221 N/A LEU 92.A N TRP 88.A O no hydrogen 2.675 N/A ALA 93.A N ASN 89.A O no hydrogen 2.940 N/A GLY 94.A N LEU 91.A O no hydrogen 3.088 N/A GLY 97.A N GLY 94.A O no hydrogen 2.919 N/A ARG 99.A N LEU 96.A O no hydrogen 3.033 N/A ARG 99.A NH1 ALA 59.A O no hydrogen 3.039 N/A LEU 100.A N GLY 97.A O no hydrogen 3.188 N/A THR 101.A N VAL 68.A O no hydrogen 3.104 N/A THR 101.A OG1 HIS 67.A NE2 no hydrogen 2.812 N/A HIS 103.A N GLY 70.A O no hydrogen 2.780 N/A ASN 105.A N ALA 74.A O no hydrogen 2.934 N/A THR 106.A N ASP 72.A O no hydrogen 3.024 N/A THR 106.A OG1 PHE 104.A O no hydrogen 2.826 N/A SER 109.A N ASN 107.A OD1 no hydrogen 3.127 N/A SER 109.A OG.B ASN 107.A OD1 no hydrogen 2.692 N/A GLY 113.A N ASP 111.A OD2 no hydrogen 3.371 N/A ILE 115.A N LEU 112.A O no hydrogen 2.939 N/A ALA 116.A N GLY 113.A O no hydrogen 3.045 N/A GLN 118.A N ILE 115.A O no hydrogen 3.227 N/A PHE 120.A N VAL 147.A O no hydrogen 2.863 N/A ASP 121.A N LYS 43.A O no hydrogen 2.748 N/A ARG 122.A NE GLU 42.A OE1 no hydrogen 2.727 N/A ARG 122.A NH1 TRP 36.A O no hydrogen 2.963 N/A ARG 122.A NH1 ASP 152.A OD2 no hydrogen 2.937 N/A ARG 122.A NH2 TRP 36.A O no hydrogen 3.550 N/A ARG 122.A NH2 GLU 42.A OE2 no hydrogen 2.872 N/A VAL 124.A N LEU 45.A O no hydrogen 2.812 N/A LEU 125.A N ASP 152.A O no hydrogen 3.035 N/A HIS 127.A N ALA 154.A O no hydrogen 2.874 N/A HIS 127.A ND1 GLU 155.A OE1 no hydrogen 2.867 N/A HIS 127.A NE2 HIS 28.A NE2 no hydrogen 2.812 N/A SER 128.A OG ILE 47.A O no hydrogen 3.033 N/A TRP 130.A N GLU 155.A OE2 no hydrogen 3.220 N/A TRP 130.A NE1 ILE 191.A O no hydrogen 3.015 N/A TYR 131.A N SER 128.A O no hydrogen 3.396 N/A PHE 132.A N LEU 129.A O no hydrogen 3.225 N/A ALA 137.A N SER 134.A OG no hydrogen 3.001 N/A LEU 138.A N SER 134.A O no hydrogen 3.294 N/A ALA 139.A N ALA 135.A O no hydrogen 2.973 N/A LEU 140.A N ASN 136.A O no hydrogen 2.849 N/A LEU 141.A N ALA 137.A O no hydrogen 3.205 N/A PHE 142.A N LEU 138.A O no hydrogen 3.017 N/A LYS 143.A N ALA 139.A O no hydrogen 2.935 N/A ASN 144.A N LEU 140.A O no hydrogen 3.156 N/A ASN 144.A ND2 SER 109.A O no hydrogen 2.797 N/A ASN 144.A ND2 LEU 140.A O no hydrogen 3.399 N/A ALA 146.A N ASN 144.A O no hydrogen 3.161 N/A CYS 148.A SG.A PHE 120.A O no hydrogen 3.362 N/A CYS 148.A SG.A HIS 150.A O no hydrogen 3.278 N/A CYS 148.A SG.B HIS 150.A O no hydrogen 3.056 N/A HIS 150.A ND1 ASP 149.A OD1.B no hydrogen 2.623 N/A VAL 151.A N ILE 266.A O no hydrogen 2.797 N/A ASP 152.A N VAL 123.A O no hydrogen 2.971 N/A VAL 153.A N GLY 264.A O no hydrogen 2.871 N/A ALA 154.A N LEU 125.A O no hydrogen 2.962 N/A GLU 155.A N PHE 262.A O no hydrogen 2.998 N/A TRP 156.A N GLU 155.A OE1 no hydrogen 3.004 N/A SER 157.A N ALA 260.A O no hydrogen 2.969 N/A THR 160.A N GLN 164.A OE1 no hydrogen 2.869 N/A THR 160.A OG1 GLN 164.A OE1 no hydrogen 3.437 N/A THR 160.A OG1 GLU 214.A OE1 no hydrogen 3.192 N/A THR 160.A OG1 GLU 214.A OE2 no hydrogen 2.621 N/A GLN 164.A N ALA 161.A O no hydrogen 3.216 N/A GLN 164.A NE2 THR 160.A OG1 no hydrogen 3.298 N/A GLN 164.A NE2 GLU 214.A OE1 no hydrogen 3.461 N/A ILE 165.A N LEU 162.A O no hydrogen 3.219 N/A GLY 166.A N ASN 254.A O no hydrogen 2.857 N/A LEU 168.A N GLN 164.A O no hydrogen 3.277 N/A GLN 169.A N ILE 165.A O no hydrogen 2.781 N/A ALA 170.A N GLY 166.A O no hydrogen 2.923 N/A ALA 171.A N HIS 167.A O no hydrogen 3.128 N/A GLN 173.A N ALA 170.A O no hydrogen 3.123 N/A GLN 173.A NE2 GLU 224.A OE2 no hydrogen 3.124 N/A GLN 173.A NE2 THR 228.A OG1 no hydrogen 2.959 N/A GLY 174.A N ALA 171.A O no hydrogen 2.844 N/A LEU 176.A N ILE 172.A O no hydrogen 3.107 N/A TYR 177.A N GLN 173.A O no hydrogen 2.965 N/A ALA 178.A N GLY 174.A O no hydrogen 2.991 N/A ILE 179.A N LEU 175.A O no hydrogen 2.801 N/A ALA 180.A N LEU 176.A O no hydrogen 2.929 N/A ALA 185.A N SER 182.A O no hydrogen 3.477 N/A ASN 186.A ND2 GLN 173.A OE1 no hydrogen 3.517 N/A ILE 187.A N GLN 173.A OE1 no hydrogen 3.430 N/A ARG 188.A N TRP 130.A O no hydrogen 2.828 N/A THR 189.A N TRP 130.A O no hydrogen 3.024 N/A THR 189.A OG1 PHE 132.A O no hydrogen 2.836 N/A ILE 191.A N THR 189.A O no hydrogen 2.949 N/A THR 192.A N THR 195.A OG1 no hydrogen 3.412 N/A THR 192.A OG1 THR 195.A OG1 no hydrogen 3.134 N/A THR 195.A N THR 192.A OG1 no hydrogen 3.150 N/A THR 195.A OG1 THR 192.A OG1 no hydrogen 3.134 N/A LEU 196.A N THR 192.A O no hydrogen 3.124 N/A ALA 197.A N PRO 193.A O no hydrogen 2.920 N/A GLN 198.A N ASP 194.A O no hydrogen 2.964 N/A GLN 198.A NE2 ASP 202.A OD1 no hydrogen 3.197 N/A ILE 199.A N THR 195.A O no hydrogen 2.839 N/A ALA 200.A N LEU 196.A O no hydrogen 2.938 N/A HIS 201.A N ALA 197.A O no hydrogen 2.891 N/A ASP 202.A N GLN 198.A O no hydrogen 2.844 N/A ASN 203.A N ILE 199.A O no hydrogen 3.136 N/A ASN 203.A N ALA 200.A O no hydrogen 3.131 N/A ASN 203.A ND2 ILE 199.A O no hydrogen 2.779 N/A THR 204.A N HIS 201.A O no hydrogen 3.468 N/A TRP 205.A N ALA 200.A O no hydrogen 2.808 N/A THR 206.A N THR 267.A O no hydrogen 3.020 N/A THR 208.A N ARG 265.A O no hydrogen 2.869 N/A GLY 210.A N THR 263.A O no hydrogen 2.709 N/A VAL 213.A N THR 261.A O no hydrogen 2.680 N/A LEU 218.A N ASP 215.A O no hydrogen 3.229 N/A ALA 221.A N SER 258.A OG no hydrogen 3.165 N/A HIS 222.A NE2.B ASP 219.A OD2 no hydrogen 2.848 N/A TRP 223.A N ASP 219.A O no hydrogen 3.037 N/A GLU 224.A N ASP 220.A O no hydrogen 2.852 N/A ILE 225.A N ALA 221.A O no hydrogen 2.939 N/A ALA 226.A N HIS 222.A O no hydrogen 3.087 N/A THR 227.A N TRP 223.A O no hydrogen 2.858 N/A THR 227.A OG1 TRP 223.A O no hydrogen 2.879 N/A THR 228.A N GLU 224.A O no hydrogen 2.918 N/A THR 228.A OG1 ALA 170.A O no hydrogen 3.390 N/A THR 228.A OG1 GLU 224.A O no hydrogen 2.737 N/A ASN 229.A N ILE 225.A O no hydrogen 3.109 N/A ALA 230.A N ALA 226.A O no hydrogen 2.813 N/A LEU 231.A N THR 227.A O no hydrogen 2.813 N/A LEU 232.A N THR 228.A O no hydrogen 3.289 N/A THR 233.A N ALA 230.A O no hydrogen 3.078 N/A GLU 234.A N ALA 230.A O no hydrogen 3.018 N/A LEU 235.A N LEU 231.A O no hydrogen 2.722 N/A LEU 241.A N SER 238.A OG no hydrogen 2.975 N/A ARG 242.A N SER 238.A O no hydrogen 3.005 N/A ARG 242.A NE.A LEU 232.A O no hydrogen 2.989 N/A ARG 242.A NH1.A LEU 237.A O no hydrogen 3.161 N/A ARG 242.A NH2.A LEU 232.A O no hydrogen 2.928 N/A ASP 243.A N THR 239.A O no hydrogen 2.871 N/A ARG 244.A N ASP 240.A O no hydrogen 2.995 N/A ARG 244.A NE ASP 240.A OD1 no hydrogen 3.018 N/A ARG 244.A NE ASP 240.A OD2 no hydrogen 3.068 N/A ARG 244.A NH2 ASP 240.A OD1 no hydrogen 3.141 N/A VAL 245.A N LEU 241.A O no hydrogen 3.062 N/A VAL 245.A N ARG 242.A O no hydrogen 3.070 N/A LYS 246.A N ARG 242.A O no hydrogen 3.133 N/A LEU 248.A N VAL 245.A O no hydrogen 2.863 N/A LEU 249.A N VAL 245.A O no hydrogen 3.199 N/A GLU 250.A N LYS 246.A O no hydrogen 3.024 N/A ALA 251.A N PRO 247.A O no hydrogen 3.052 N/A SER 252.A OG GLU 250.A O no hydrogen 2.536 N/A HIS 253.A N ALA 251.A O no hydrogen 3.123 N/A ASN 254.A ND2 GLN 169.A OE1 no hydrogen 2.943 N/A THR 256.A OG1 HIS 222.A NE2.A no hydrogen 3.085 N/A ALA 257.A N ASP 163.A O no hydrogen 2.940 N/A SER 258.A N PRO 216.A O no hydrogen 2.964 N/A SER 258.A OG LEU 218.A O no hydrogen 2.609 N/A LEU 259.A N HIS 167.A ND1 no hydrogen 3.176 N/A THR 261.A N VAL 213.A O no hydrogen 2.844 N/A PHE 262.A N GLU 155.A O no hydrogen 2.789 N/A THR 263.A OG1 THR 211.A O no hydrogen 2.659 N/A GLY 264.A N VAL 153.A O no hydrogen 3.113 N/A ARG 265.A N THR 208.A O no hydrogen 2.933 N/A ARG 265.A NE ASP 152.A OD1 no hydrogen 3.102 N/A ARG 265.A NH2 ASP 152.A OD1 no hydrogen 3.505 N/A ILE 266.A N VAL 151.A O no hydrogen 2.725 N/A THR 267.A N THR 206.A O no hydrogen 2.923 N/A PHE 268.A N ASP 149.A O no hydrogen 3.050 N/A