Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qqd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N LEU 102.A O no hydrogen 2.562 N/A SER 1.A OG HIS 2.A ND1 no hydrogen 3.258 N/A HIS 2.A N LEU 102.A O no hydrogen 3.302 N/A SER 3.A N ASP 28.A OD1 no hydrogen 3.204 N/A MET 4.A N CYS 100.A O no hydrogen 3.133 N/A ARG 5.A N TYR 26.A O no hydrogen 3.085 N/A ARG 5.A NE ASP 101.A OD1 no hydrogen 2.964 N/A TYR 6.A N PHE 98.A O no hydrogen 2.786 N/A PHE 7.A N VAL 24.A O no hydrogen 2.947 N/A SER 8.A N ARG 96.A O no hydrogen 2.975 N/A THR 9.A N ILE 22.A O no hydrogen 2.792 N/A SER 10.A N LEU 94.A O no hydrogen 2.847 N/A SER 10.A OG ASP 73.A OD2 no hydrogen 2.746 N/A VAL 11.A N ARG 20.A O no hydrogen 3.327 N/A SER 12.A N HIS 92.A O no hydrogen 3.008 N/A ARG 16.A N TRP 13.A O no hydrogen 2.901 N/A ARG 16.A NH1 GLU 18.A O no hydrogen 2.532 N/A ARG 20.A N VAL 11.A O no hydrogen 2.973 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 2.844 N/A ARG 20.A NE ASP 36.A OD2 no hydrogen 3.409 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.925 N/A PHE 21.A N SER 37.A OG no hydrogen 2.810 N/A ILE 22.A N THR 9.A O no hydrogen 2.987 N/A ALA 23.A N PHE 35.A O no hydrogen 2.965 N/A VAL 24.A N PHE 7.A O no hydrogen 3.017 N/A GLY 25.A N VAL 33.A O no hydrogen 3.149 N/A TYR 26.A N ARG 5.A O no hydrogen 2.790 N/A VAL 27.A N THR 30.A O no hydrogen 2.770 N/A ASP 28.A N SER 3.A O no hydrogen 2.962 N/A ASP 29.A N TYR 208.A OH no hydrogen 3.233 N/A THR 30.A N VAL 27.A O no hydrogen 2.648 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 2.761 N/A GLN 31.A NE2 VAL 33.A O no hydrogen 3.606 N/A PHE 32.A N GLY 25.A O no hydrogen 2.834 N/A ARG 34.A N GLU 45.A O no hydrogen 3.072 N/A SER 37.A N PHE 21.A O no hydrogen 2.913 N/A SER 37.A OG PRO 19.A O no hydrogen 3.430 N/A SER 37.A OG PHE 21.A O no hydrogen 3.495 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.600 N/A GLY 44.A N THR 63.A OG1 no hydrogen 3.212 N/A GLU 45.A N ARG 34.A O no hydrogen 3.078 N/A ARG 47.A N PHE 32.A O no hydrogen 3.364 N/A VAL 51.A N GLU 48.A O no hydrogen 3.389 N/A GLU 52.A N PRO 49.A O no hydrogen 3.018 N/A GLN 53.A N PRO 49.A O no hydrogen 3.329 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.531 N/A TRP 59.A N GLY 55.A O no hydrogen 3.195 N/A TRP 59.A NE1 VAL 51.A O no hydrogen 2.778 N/A ASP 60.A N GLU 57.A O no hydrogen 2.815 N/A ARG 61.A N GLU 57.A O no hydrogen 3.041 N/A GLU 62.A N TYR 58.A O no hydrogen 3.028 N/A THR 63.A N TRP 59.A O no hydrogen 3.358 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.526 N/A GLN 64.A N ASP 60.A O no hydrogen 3.132 N/A LYS 65.A N ARG 61.A O no hydrogen 3.046 N/A LYS 65.A NZ GLU 62.A OE2 no hydrogen 3.239 N/A LYS 67.A N THR 63.A O no hydrogen 3.036 N/A LYS 67.A NZ PRO 42.A O no hydrogen 2.473 N/A ARG 68.A N GLN 64.A O no hydrogen 3.154 N/A GLN 69.A N LYS 65.A O no hydrogen 3.268 N/A ALA 70.A N TYR 66.A O no hydrogen 3.077 N/A GLN 71.A N LYS 67.A O no hydrogen 3.084 N/A ALA 72.A N ARG 68.A O no hydrogen 3.066 N/A ASP 73.A N GLN 69.A O no hydrogen 2.733 N/A ASP 73.A N ALA 70.A O no hydrogen 3.125 N/A ARG 74.A N GLN 71.A O no hydrogen 3.208 N/A VAL 75.A N ALA 72.A O no hydrogen 3.155 N/A ASN 76.A N ALA 72.A O no hydrogen 3.238 N/A ASN 76.A ND2 ASP 73.A OD1 no hydrogen 2.925 N/A LEU 77.A N ASP 73.A O no hydrogen 3.180 N/A ARG 78.A N ARG 74.A O no hydrogen 3.394 N/A LYS 79.A N VAL 75.A O no hydrogen 2.868 N/A LEU 80.A N ASN 76.A O no hydrogen 3.081 N/A ARG 81.A N LEU 77.A O no hydrogen 3.340 N/A ARG 81.A NE GLU 88.A OE2 no hydrogen 3.299 N/A GLY 82.A N ARG 78.A O no hydrogen 3.245 N/A TYR 83.A N LYS 79.A O no hydrogen 2.779 N/A TYR 84.A N LEU 80.A O no hydrogen 2.921 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.886 N/A ASN 85.A N GLY 82.A O no hydrogen 2.842 N/A GLN 86.A N ARG 81.A O no hydrogen 2.977 N/A ASP 89.A N SER 87.A OG no hydrogen 3.275 N/A SER 91.A OG SER 12.A O no hydrogen 2.682 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 3.057 N/A THR 93.A N ASP 118.A OD1 no hydrogen 2.851 N/A LEU 94.A N SER 10.A O no hydrogen 2.757 N/A GLN 95.A N ALA 116.A O no hydrogen 2.871 N/A ARG 96.A N SER 8.A O no hydrogen 3.024 N/A MET 97.A N GLN 114.A O no hydrogen 3.035 N/A PHE 98.A N TYR 6.A O no hydrogen 3.252 N/A CYS 100.A N MET 4.A O no hydrogen 3.083 N/A ASP 101.A N ARG 110.A O no hydrogen 3.014 N/A LEU 102.A N HIS 2.A O no hydrogen 2.960 N/A ARG 107.A N ASP 105.A O no hydrogen 2.359 N/A LEU 109.A N ASP 101.A O no hydrogen 2.693 N/A ARG 110.A N ASP 101.A O no hydrogen 3.442 N/A TYR 112.A N GLY 99.A O no hydrogen 2.924 N/A GLN 114.A N MET 97.A O no hydrogen 2.909 N/A PHE 115.A N ILE 123.A O no hydrogen 2.697 N/A ALA 116.A N GLN 95.A O no hydrogen 2.935 N/A TYR 117.A N LYS 120.A O no hydrogen 2.848 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.412 N/A ASP 118.A N THR 93.A O no hydrogen 2.779 N/A LYS 120.A N TYR 117.A O no hydrogen 3.352 N/A TYR 122.A N PHE 115.A O no hydrogen 2.932 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 3.153 N/A ALA 124.A N THR 133.A O no hydrogen 3.135 N/A LEU 125.A N ASN 113.A O no hydrogen 2.962 N/A ASN 126.A N SER 131.A O no hydrogen 2.718 N/A ASN 126.A ND2 THR 133.A OG1 no hydrogen 2.672 N/A LEU 129.A N ASN 126.A O no hydrogen 2.461 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 2.504 N/A ARG 130.A NH1 ASP 128.A O no hydrogen 3.291 N/A SER 131.A N ASP 128.A OD1 no hydrogen 3.019 N/A SER 131.A OG ASN 126.A OD1 no hydrogen 3.064 N/A SER 131.A OG ASP 128.A OD1 no hydrogen 3.434 N/A SER 131.A OG ASP 128.A OD2 no hydrogen 3.234 N/A THR 133.A N ALA 124.A O no hydrogen 2.795 N/A ALA 135.A N TYR 122.A O no hydrogen 2.792 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 3.177 N/A GLN 140.A N ASP 136.A O no hydrogen 3.349 N/A GLN 140.A N THR 137.A O no hydrogen 3.251 N/A ILE 141.A N ALA 138.A O no hydrogen 3.097 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 3.153 N/A GLN 143.A N ALA 139.A O no hydrogen 2.726 N/A GLN 143.A NE2 TRP 132.A O no hydrogen 3.134 N/A ARG 144.A N GLN 140.A O no hydrogen 2.982 N/A LYS 145.A N ILE 141.A O no hydrogen 3.320 N/A LYS 145.A NZ TYR 83.A OH no hydrogen 2.883 N/A TRP 146.A N THR 142.A O no hydrogen 2.935 N/A GLU 147.A N GLN 143.A O no hydrogen 2.800 N/A ALA 148.A N ARG 144.A O no hydrogen 3.010 N/A ALA 149.A N LYS 145.A O no hydrogen 3.089 N/A GLU 151.A N TRP 146.A O no hydrogen 2.948 N/A GLN 154.A N GLU 151.A O no hydrogen 3.053 N/A ARG 155.A N GLU 151.A O no hydrogen 3.171 N/A ARG 155.A NE GLU 151.A OE2 no hydrogen 3.185 N/A ARG 155.A NH2 GLU 151.A OE2 no hydrogen 3.061 N/A ARG 156.A N ALA 152.A O no hydrogen 2.811 N/A ALA 157.A N GLU 153.A O no hydrogen 3.239 N/A TYR 158.A N GLN 154.A O no hydrogen 3.274 N/A LEU 159.A N ARG 155.A O no hydrogen 3.078 N/A GLU 160.A N ARG 156.A O no hydrogen 3.010 N/A GLY 161.A N ALA 157.A O no hydrogen 2.863 N/A CYS 163.A N TYR 158.A O no hydrogen 2.925 N/A GLU 165.A N GLY 161.A O no hydrogen 3.148 N/A TRP 166.A N THR 162.A O no hydrogen 3.250 N/A LEU 167.A N CYS 163.A O no hydrogen 3.109 N/A LEU 167.A N VAL 164.A O no hydrogen 3.050 N/A ARG 168.A N VAL 164.A O no hydrogen 3.164 N/A ARG 169.A N GLU 165.A O no hydrogen 3.099 N/A ARG 169.A NE GLU 54.A OE2 no hydrogen 3.312 N/A ARG 169.A NH2 GLU 54.A OE2 no hydrogen 2.529 N/A TYR 170.A N TRP 166.A O no hydrogen 3.040 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.531 N/A LEU 171.A N LEU 167.A O no hydrogen 2.927 N/A GLU 172.A N ARG 168.A O no hydrogen 3.255 N/A GLU 172.A N ARG 169.A O no hydrogen 3.149 N/A ASN 173.A N ARG 169.A O no hydrogen 3.075 N/A ASN 173.A ND2 GLN 53.A OE1 no hydrogen 2.676 N/A GLY 174.A N TYR 170.A O no hydrogen 2.879 N/A LYS 175.A N GLU 172.A O no hydrogen 2.890 N/A LYS 175.A NZ GLU 172.A OE2 no hydrogen 3.131 N/A THR 177.A N GLY 174.A O no hydrogen 2.906 N/A LEU 178.A N GLY 174.A O no hydrogen 2.835 N/A GLN 179.A N LYS 175.A O no hydrogen 3.030 N/A LYS 185.A N LEU 205.A O no hydrogen 2.784 N/A LYS 185.A NZ GLU 182.A OE1 no hydrogen 3.170 N/A LYS 185.A NZ HIS 183.A O no hydrogen 2.656 N/A THR 189.A N ARG 201.A O no hydrogen 2.953 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.441 N/A HIS 191.A N THR 199.A O no hydrogen 2.992 N/A VAL 193.A N GLU 197.A O no hydrogen 2.873 N/A SER 194.A N GLU 197.A O no hydrogen 3.180 N/A HIS 196.A N SER 194.A OG no hydrogen 3.203 N/A HIS 196.A ND1 HIS 196.A O no hydrogen 2.658 N/A ALA 198.A N VAL 248.A O no hydrogen 2.793 N/A THR 199.A N HIS 191.A O no hydrogen 2.661 N/A LEU 200.A N VAL 246.A O no hydrogen 2.905 N/A ARG 201.A N THR 189.A O no hydrogen 3.128 N/A CYS 202.A N ALA 244.A O no hydrogen 2.963 N/A TRP 203.A N HIS 187.A O no hydrogen 2.981 N/A ALA 204.A N LYS 242.A O no hydrogen 2.803 N/A LEU 205.A N LYS 185.A O no hydrogen 3.045 N/A TYR 208.A N GLU 182.A O no hydrogen 3.128 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 2.761 N/A THR 213.A N GLN 261.A O no hydrogen 3.028 N/A THR 215.A N HIS 259.A O no hydrogen 2.914 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 3.044 N/A GLN 217.A N THR 257.A O no hydrogen 2.984 N/A TRP 218.A N GLU 221.A O no hydrogen 2.870 N/A ASP 219.A N ARG 255.A O no hydrogen 3.324 N/A GLU 221.A N TRP 218.A O no hydrogen 2.886 N/A GLN 223.A N TRP 216.A O no hydrogen 3.001 N/A GLN 223.A NE2 GLU 221.A O no hydrogen 2.928 N/A THR 224.A N ASP 222.A OD2 no hydrogen 3.310 N/A THR 224.A OG1 ASP 222.A OD2 no hydrogen 2.952 N/A GLN 225.A NE2 ASP 222.A OD2 no hydrogen 3.202 N/A ASP 226.A N GLN 223.A O no hydrogen 2.631 N/A THR 227.A OG1 GLN 223.A O no hydrogen 2.960 N/A GLU 228.A N ALA 245.A O no hydrogen 2.939 N/A ARG 233.A N GLN 241.A O no hydrogen 3.302 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 3.023 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 3.174 N/A ALA 235.A N THR 239.A O no hydrogen 2.786 N/A THR 239.A OG1 ASP 237.A OD2 no hydrogen 2.643 N/A PHE 240.A N PHE 207.A O no hydrogen 2.942 N/A GLN 241.A N ARG 233.A O no hydrogen 2.909 N/A LYS 242.A N ALA 204.A O no hydrogen 2.875 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 3.364 N/A ALA 244.A N CYS 202.A O no hydrogen 3.101 N/A ALA 245.A N GLU 228.A O no hydrogen 2.901 N/A VAL 246.A N LEU 200.A O no hydrogen 3.044 N/A VAL 248.A N ALA 198.A O no hydrogen 2.794 N/A ARG 255.A N GLU 252.A O no hydrogen 2.982 N/A ARG 255.A NH1 ASP 219.A OD1 no hydrogen 3.185 N/A TYR 256.A N GLU 253.A O no hydrogen 2.879 N/A THR 257.A N GLN 217.A O no hydrogen 3.273 N/A CYS 258.A N LEU 271.A O no hydrogen 2.777 N/A HIS 259.A N THR 215.A O no hydrogen 2.769 N/A VAL 260.A N LEU 269.A O no hydrogen 3.012 N/A GLN 261.A N THR 213.A O no hydrogen 2.899 N/A LEU 265.A N HIS 262.A O no hydrogen 2.956 N/A LEU 269.A N VAL 260.A O no hydrogen 3.116 N/A LEU 271.A N CYS 258.A O no hydrogen 2.790 N/A