Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xxu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG THR 46.A OG1 no hydrogen 2.615 N/A LEU 2.A N THR 46.A O no hydrogen 2.906 N/A ILE 3.A N ASP 80.A OD2 no hydrogen 2.886 N/A VAL 4.A N GLU 48.A O no hydrogen 2.882 N/A THR 5.A N LEU 81.A O no hydrogen 2.849 N/A THR 6.A N ARG 50.A O no hydrogen 3.279 N/A THR 6.A OG1 VAL 83.A O no hydrogen 2.659 N/A GLU 9.A N VAL 13.A O no hydrogen 2.906 N/A TYR 12.A N GLU 9.A O no hydrogen 2.779 N/A TYR 12.A OH THR 189.A OG1 no hydrogen 3.067 N/A TYR 12.A OH THR 190.A OG1 no hydrogen 2.832 N/A VAL 13.A N GLU 9.A O no hydrogen 2.922 N/A LEU 14.A N GLU 29.A O no hydrogen 2.812 N/A LYS 16.A N ARG 27.A O no hydrogen 2.832 N/A LYS 16.A NZ ASP 26.A O no hydrogen 3.314 N/A LYS 20.A N ASP 19.A OD1 no hydrogen 2.706 N/A ASN 25.A ND2 TYR 47.A O no hydrogen 2.867 N/A ASP 26.A N TYR 23.A O no hydrogen 3.098 N/A ARG 27.A N GLY 24.A O no hydrogen 3.187 N/A ARG 27.A NE GLY 24.A O no hydrogen 2.776 N/A ARG 27.A NH2 GLY 24.A O no hydrogen 3.463 N/A PHE 28.A N ASN 25.A O no hydrogen 3.283 N/A GLU 29.A N LEU 14.A O no hydrogen 2.992 N/A TYR 31.A N PRO 11.A O no hydrogen 2.990 N/A CYS 32.A N TYR 12.A O no hydrogen 2.833 N/A ASP 34.A N GLY 30.A O no hydrogen 2.915 N/A LEU 35.A N TYR 31.A O no hydrogen 2.861 N/A LEU 36.A N CYS 32.A O no hydrogen 2.884 N/A ARG 37.A N ILE 33.A O no hydrogen 2.886 N/A GLU 38.A N ASP 34.A O no hydrogen 2.880 N/A LEU 39.A N LEU 35.A O no hydrogen 2.869 N/A SER 40.A N LEU 36.A O no hydrogen 2.916 N/A SER 40.A OG LEU 36.A O no hydrogen 3.440 N/A SER 40.A OG ARG 37.A O no hydrogen 2.758 N/A THR 41.A N ARG 37.A O no hydrogen 3.131 N/A THR 41.A OG1 ARG 37.A O no hydrogen 3.122 N/A ILE 42.A N GLU 38.A O no hydrogen 3.132 N/A LEU 43.A N LEU 39.A O no hydrogen 2.917 N/A GLY 44.A N SER 40.A O no hydrogen 2.795 N/A THR 46.A OG1 SER 1.A OG no hydrogen 2.615 N/A GLU 48.A N LEU 2.A O no hydrogen 2.818 N/A ILE 49.A N ASN 25.A OD1 no hydrogen 2.916 N/A ARG 50.A N VAL 4.A O no hydrogen 2.849 N/A ARG 50.A NE GLU 48.A OE2 no hydrogen 3.380 N/A ARG 50.A NH2 GLU 48.A OE1 no hydrogen 3.379 N/A VAL 52.A N THR 6.A O no hydrogen 2.871 N/A GLY 55.A N VAL 52.A O no hydrogen 3.077 N/A LYS 56.A N ASP 54.A OD1 no hydrogen 2.971 N/A LYS 56.A NZ ASP 136.A OD2 no hydrogen 3.338 N/A TYR 57.A OH GLU 9.A OE1 no hydrogen 2.481 N/A GLY 58.A N ASP 136.A O no hydrogen 3.416 N/A ALA 59.A N ASN 68.A OD1 no hydrogen 2.843 N/A GLN 60.A NE2 GLY 65.A O no hydrogen 2.810 N/A ASP 61.A N GLN 66.A O no hydrogen 2.705 N/A VAL 63.A N ASP 61.A OD1 no hydrogen 2.746 N/A ASN 64.A N ASP 61.A OD1 no hydrogen 3.322 N/A GLY 65.A N ASP 61.A O no hydrogen 3.013 N/A GLN 66.A N ASN 64.A OD1 no hydrogen 2.792 N/A ASN 68.A N ALA 59.A O no hydrogen 3.182 N/A ASN 68.A ND2 ASP 136.A OD2 no hydrogen 3.153 N/A GLY 69.A N ASP 54.A OD2 no hydrogen 2.869 N/A MET 70.A N LYS 56.A O no hydrogen 3.116 N/A VAL 71.A N TYR 57.A O no hydrogen 3.322 N/A ARG 72.A N ASN 68.A O no hydrogen 3.183 N/A ARG 72.A NE ASP 76.A OD2 no hydrogen 2.792 N/A ARG 72.A NH1 TRP 67.A O no hydrogen 2.686 N/A GLU 73.A N GLY 69.A O no hydrogen 3.250 N/A LEU 74.A N MET 70.A O no hydrogen 3.119 N/A ILE 75.A N VAL 71.A O no hydrogen 2.936 N/A ASP 76.A N ARG 72.A O no hydrogen 2.913 N/A HIS 77.A N LEU 74.A O no hydrogen 2.895 N/A LYS 78.A N GLU 73.A O no hydrogen 2.844 N/A ASP 80.A N ILE 3.A O no hydrogen 2.777 N/A LEU 81.A N ILE 3.A O no hydrogen 3.289 N/A ALA 82.A N GLY 216.A O no hydrogen 2.840 N/A VAL 83.A N THR 5.A O no hydrogen 3.126 N/A LEU 86.A N ALA 84.A O no hydrogen 2.783 N/A ILE 88.A N GLY 212.A O no hydrogen 2.841 N/A ARG 92.A N THR 89.A OG1 no hydrogen 3.266 N/A ARG 92.A NE GLY 58.A O no hydrogen 3.364 N/A ARG 92.A NH1 ALA 87.A O no hydrogen 2.944 N/A ARG 92.A NH2 GLY 58.A O no hydrogen 2.922 N/A GLU 93.A N THR 89.A O no hydrogen 2.889 N/A LYS 94.A NZ TYR 90.A OH no hydrogen 3.102 N/A VAL 95.A N ARG 92.A O no hydrogen 2.917 N/A ILE 96.A N ARG 92.A O no hydrogen 2.855 N/A ASP 97.A N THR 217.A O no hydrogen 2.915 N/A SER 99.A N VAL 215.A O no hydrogen 2.849 N/A SER 99.A OG LYS 100.A O no hydrogen 2.850 N/A LYS 100.A N THR 228.A OG1 no hydrogen 2.887 N/A PHE 102.A N TYR 213.A O no hydrogen 2.914 N/A LEU 105.A N LYS 211.A O no hydrogen 2.861 N/A GLY 106.A N SER 188.A OG no hydrogen 3.028 N/A ILE 107.A N ASP 209.A OD1 no hydrogen 2.721 N/A SER 108.A N MET 186.A O no hydrogen 2.861 N/A SER 108.A OG ILE 204.A O no hydrogen 3.464 N/A SER 108.A OG GLY 206.A O no hydrogen 2.834 N/A LEU 110.A N PHE 184.A O no hydrogen 2.797 N/A TYR 111.A N THR 202.A O no hydrogen 3.125 N/A TYR 111.A OH ASP 181.A OD1 no hydrogen 2.672 N/A ARG 112.A NH1 ASP 181.A OD1 no hydrogen 2.500 N/A LYS 113.A N ASN 200.A O no hydrogen 3.055 N/A LYS 113.A NZ CYS 199.A O no hydrogen 2.809 N/A ILE 117.A N THR 115.A OG1 no hydrogen 3.081 N/A ASP 118.A N ASP 122.A OD2 no hydrogen 2.895 N/A ASP 122.A N SER 119.A OG no hydrogen 3.211 N/A LEU 123.A N SER 119.A O no hydrogen 3.383 N/A ALA 124.A N ALA 120.A O no hydrogen 2.878 N/A LYS 125.A N ASP 121.A O no hydrogen 3.157 N/A LYS 125.A NZ ASP 122.A OD1 no hydrogen 2.951 N/A GLN 126.A N LEU 123.A O no hydrogen 3.235 N/A GLN 126.A NE2 LEU 123.A O no hydrogen 2.950 N/A GLN 126.A NE2 ILE 129.A O no hydrogen 2.874 N/A ILE 129.A N GLN 126.A OE1 no hydrogen 2.733 N/A GLU 130.A N ASP 181.A O no hydrogen 3.244 N/A GLY 132.A N ALA 183.A O no hydrogen 3.351 N/A GLU 135.A N VAL 167.A O no hydrogen 2.783 N/A THR 141.A N GLY 137.A O no hydrogen 3.102 N/A THR 141.A OG1 GLY 137.A O no hydrogen 2.937 N/A PHE 142.A N ALA 138.A O no hydrogen 2.925 N/A PHE 143.A N THR 139.A O no hydrogen 3.268 N/A LYS 144.A N MET 140.A O no hydrogen 2.937 N/A LYS 144.A NZ ASP 62.A OD1 no hydrogen 3.066 N/A LYS 144.A NZ ASP 62.A OD2 no hydrogen 2.676 N/A LYS 145.A N THR 141.A O no hydrogen 3.115 N/A LYS 145.A N PHE 142.A O no hydrogen 3.322 N/A SER 146.A N PHE 143.A O no hydrogen 3.317 N/A ILE 148.A N SER 146.A OG no hydrogen 3.102 N/A ASP 152.A N ILE 148.A O no hydrogen 2.824 N/A LYS 153.A N SER 149.A O no hydrogen 2.974 N/A LYS 153.A NZ ALA 124.A O no hydrogen 2.765 N/A MET 154.A N THR 150.A O no hydrogen 2.988 N/A TRP 155.A N TYR 151.A O no hydrogen 2.837 N/A ALA 156.A N ASP 152.A O no hydrogen 2.929 N/A PHE 157.A N LYS 153.A O no hydrogen 3.078 N/A MET 158.A N MET 154.A O no hydrogen 2.894 N/A SER 159.A N TRP 155.A O no hydrogen 2.813 N/A SER 159.A OG TRP 155.A O no hydrogen 2.797 N/A SER 159.A OG ALA 156.A O no hydrogen 3.548 N/A SER 160.A N ALA 156.A O no hydrogen 3.270 N/A SER 160.A OG ALA 156.A O no hydrogen 3.085 N/A SER 160.A OG PHE 157.A O no hydrogen 2.845 N/A ARG 161.A N PHE 157.A O no hydrogen 3.216 N/A ARG 161.A N MET 158.A O no hydrogen 3.062 N/A ARG 161.A NH1 PHE 157.A O no hydrogen 3.211 N/A ARG 162.A N SER 159.A O no hydrogen 3.304 N/A ARG 162.A NH1 GLU 135.A OE2 no hydrogen 2.792 N/A SER 164.A N ARG 161.A O no hydrogen 2.974 N/A SER 164.A OG ARG 161.A O no hydrogen 3.007 N/A VAL 165.A N ARG 161.A O no hydrogen 2.930 N/A LEU 166.A N ARG 162.A O no hydrogen 3.143 N/A VAL 167.A N ALA 133.A O no hydrogen 3.033 N/A LYS 168.A N GLU 172.A OE1 no hydrogen 2.957 N/A ASN 170.A ND2 GLU 9.A OE1 no hydrogen 3.053 N/A GLU 172.A N SER 169.A OG no hydrogen 3.208 N/A GLY 173.A N SER 169.A O no hydrogen 3.155 N/A ILE 174.A N ASN 170.A O no hydrogen 2.857 N/A GLN 175.A N GLU 171.A O no hydrogen 3.035 N/A ARG 176.A N GLU 172.A O no hydrogen 3.036 N/A ARG 176.A NH2 GLU 130.A OE1 no hydrogen 3.315 N/A VAL 177.A N GLY 173.A O no hydrogen 3.014 N/A LEU 178.A N ILE 174.A O no hydrogen 3.060 N/A THR 179.A N ARG 176.A O no hydrogen 3.356 N/A THR 179.A OG1 GLN 175.A O no hydrogen 2.860 N/A SER 180.A N ARG 176.A O no hydrogen 3.036 N/A SER 180.A OG ARG 176.A O no hydrogen 2.825 N/A TYR 182.A OH VAL 165.A O no hydrogen 2.658 N/A ALA 183.A N GLU 130.A O no hydrogen 2.884 N/A PHE 184.A N LEU 110.A O no hydrogen 2.895 N/A LEU 185.A N GLY 132.A O no hydrogen 2.864 N/A MET 186.A N SER 108.A O no hydrogen 3.015 N/A SER 188.A N GLY 106.A O no hydrogen 2.799 N/A SER 188.A OG GLY 106.A O no hydrogen 3.239 N/A THR 189.A OG1 TYR 12.A OH no hydrogen 3.067 N/A THR 189.A OG1 TYR 213.A OH no hydrogen 3.029 N/A THR 190.A OG1 TYR 12.A OH no hydrogen 2.832 N/A ILE 191.A N GLU 187.A O no hydrogen 2.970 N/A GLU 192.A N SER 188.A O no hydrogen 2.905 N/A PHE 193.A N THR 189.A O no hydrogen 3.295 N/A VAL 194.A N THR 190.A O no hydrogen 3.054 N/A THR 195.A N ILE 191.A O no hydrogen 2.829 N/A THR 195.A OG1 ILE 191.A O no hydrogen 3.154 N/A THR 195.A OG1 GLU 192.A O no hydrogen 3.458 N/A GLN 196.A N GLU 192.A O no hydrogen 3.275 N/A ARG 197.A N VAL 194.A O no hydrogen 3.090 N/A ARG 197.A NH1 PHE 193.A O no hydrogen 3.085 N/A ARG 197.A NH1 TRP 248.A O no hydrogen 3.027 N/A ARG 197.A NH2 TRP 248.A O no hydrogen 2.770 N/A ASN 198.A ND2 VAL 194.A O no hydrogen 2.805 N/A ASN 200.A N ASN 200.A OD1 no hydrogen 2.549 N/A LEU 201.A N ASN 198.A O no hydrogen 3.014 N/A THR 202.A N TYR 111.A O no hydrogen 2.903 N/A THR 202.A OG1 GLN 203.A O no hydrogen 3.170 N/A GLN 203.A NE2 GLY 205.A O no hydrogen 2.973 N/A ILE 204.A N ILE 109.A O no hydrogen 2.835 N/A ILE 208.A N ILE 107.A O no hydrogen 2.720 N/A LYS 211.A N LEU 105.A O no hydrogen 2.941 N/A LYS 211.A NZ ASP 209.A OD2 no hydrogen 2.735 N/A TYR 213.A N MET 103.A O no hydrogen 2.939 N/A TYR 213.A OH GLU 187.A OE1 no hydrogen 2.606 N/A TYR 213.A OH THR 189.A OG1 no hydrogen 3.029 N/A GLY 214.A N LEU 86.A O no hydrogen 3.195 N/A VAL 215.A N SER 99.A OG no hydrogen 2.929 N/A GLY 216.A N ALA 82.A O no hydrogen 3.015 N/A THR 217.A N ASP 97.A O no hydrogen 2.816 N/A THR 217.A OG1 PRO 218.A O no hydrogen 3.107 N/A LYS 219.A NZ.A GLU 93.A O no hydrogen 2.567 N/A LYS 219.A NZ.A ILE 96.A O no hydrogen 3.018 N/A LYS 219.A NZ.A ASP 97.A OD1 no hydrogen 2.739 N/A GLY 220.A N ASP 97.A OD2 no hydrogen 2.700 N/A SER 221.A N PRO 218.A O no hydrogen 3.054 N/A TYR 223.A N SER 221.A OG no hydrogen 3.000 N/A ARG 224.A N SER 221.A O no hydrogen 3.341 N/A ARG 224.A NH2 ASP 97.A OD2 no hydrogen 3.528 N/A ILE 227.A N TYR 223.A O no hydrogen 2.838 N/A THR 228.A N ARG 224.A O no hydrogen 3.026 N/A THR 228.A OG1 ARG 224.A O no hydrogen 3.410 N/A ILE 229.A N ASP 225.A O no hydrogen 3.114 N/A ALA 230.A N LYS 226.A O no hydrogen 3.100 N/A ILE 231.A N ILE 227.A O no hydrogen 2.833 N/A LEU 232.A N THR 228.A O no hydrogen 2.899 N/A GLN 233.A N ILE 229.A O no hydrogen 2.954 N/A GLN 233.A NE2 GLU 237.A OE2 no hydrogen 2.999 N/A LEU 234.A N ALA 230.A O no hydrogen 2.954 N/A GLN 235.A N ILE 231.A O no hydrogen 2.849 N/A GLU 236.A N LEU 232.A O no hydrogen 2.989 N/A GLU 237.A N GLN 233.A O no hydrogen 2.941 N/A GLY 238.A N GLN 235.A O no hydrogen 2.982 N/A LYS 239.A N LEU 234.A O no hydrogen 2.985 N/A LYS 239.A NZ GLU 38.A OE1 no hydrogen 2.846 N/A LEU 240.A N LEU 234.A O no hydrogen 3.432 N/A MET 242.A N GLY 238.A O no hydrogen 3.175 N/A MET 243.A N LYS 239.A O no hydrogen 2.814 N/A LYS 244.A N LEU 240.A O no hydrogen 3.021 N/A LYS 244.A NZ GLU 192.A OE1 no hydrogen 3.361 N/A GLU 245.A N HIS 241.A O no hydrogen 2.987 N/A LYS 246.A N MET 242.A O no hydrogen 2.937 N/A LYS 246.A NZ ASP 34.A OD2 no hydrogen 2.794 N/A TRP 247.A N MET 243.A O no hydrogen 3.259 N/A TRP 247.A NE1 ASP 34.A OD2 no hydrogen 2.858 N/A TRP 248.A N LYS 244.A O no hydrogen 2.871 N/A TRP 248.A NE1 THR 189.A O no hydrogen 2.867 N/A