Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xxh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASP 60.A OD1 no hydrogen 3.053 N/A VAL 5.A N ASP 34.A O no hydrogen 3.354 N/A ALA 6.A N GLY 61.A O no hydrogen 2.934 N/A ILE 7.A N ILE 36.A O no hydrogen 2.779 N/A ILE 8.A N VAL 63.A O no hydrogen 2.809 N/A VAL 9.A N MET 38.A O no hydrogen 2.946 N/A THR 10.A N GLU 17.A OE1 no hydrogen 2.960 N/A THR 10.A OG1 GLU 17.A OE1 no hydrogen 3.342 N/A THR 10.A OG1 GLU 17.A OE2 no hydrogen 2.621 N/A ARG 11.A N GLU 17.A OE1 no hydrogen 3.338 N/A ARG 11.A NE THR 10.A OG1 no hydrogen 2.963 N/A ARG 11.A NH2 GLU 17.A OE2 no hydrogen 2.886 N/A LEU 12.A N GLU 39.A OE2 no hydrogen 2.803 N/A SER 14.A N ARG 11.A O no hydrogen 3.288 N/A SER 16.A OG TYR 224.A OH no hydrogen 3.226 N/A GLU 17.A N SER 14.A OG no hydrogen 3.154 N/A ASN 18.A N SER 14.A O no hydrogen 3.085 N/A LEU 19.A N LEU 15.A O no hydrogen 3.018 N/A ALA 20.A N GLU 17.A O no hydrogen 3.057 N/A VAL 21.A N GLU 17.A O no hydrogen 3.084 N/A GLN 22.A N ASN 18.A O no hydrogen 2.852 N/A GLN 22.A NE2 ASN 18.A OD1 no hydrogen 2.810 N/A THR 23.A OG1 ALA 20.A O no hydrogen 3.119 N/A THR 23.A OG1 ALA 225.A O no hydrogen 2.685 N/A MET 24.A N ALA 20.A O no hydrogen 3.238 N/A LEU 25.A N VAL 21.A O no hydrogen 3.094 N/A PHE 28.A N MET 24.A O no hydrogen 2.943 N/A TYR 29.A N LEU 25.A O no hydrogen 2.962 N/A GLU 30.A N PRO 26.A O no hydrogen 3.014 N/A GLN 31.A N ALA 27.A O no hydrogen 3.101 N/A GLY 32.A N TYR 29.A O no hydrogen 3.206 N/A TYR 33.A N PHE 28.A O no hydrogen 2.925 N/A ASP 34.A N LYS 3.A O no hydrogen 2.864 N/A ILE 36.A N VAL 5.A O no hydrogen 2.971 N/A MET 38.A N ILE 7.A O no hydrogen 2.924 N/A SER 40.A N VAL 9.A O no hydrogen 2.862 N/A SER 40.A OG VAL 9.A O no hydrogen 3.428 N/A GLN 41.A N THR 10.A O no hydrogen 2.797 N/A SER 43.A N SER 40.A O no hydrogen 3.108 N/A SER 43.A OG GLN 45.A OE1 no hydrogen 3.212 N/A LEU 46.A N SER 43.A OG no hydrogen 3.177 N/A VAL 47.A N SER 43.A O no hydrogen 3.133 N/A ALA 48.A N PRO 44.A O no hydrogen 2.982 N/A GLU 49.A N GLN 45.A O no hydrogen 3.033 N/A HIS 50.A N LEU 46.A O no hydrogen 2.877 N/A HIS 50.A NE2 GLU 39.A O no hydrogen 2.805 N/A LEU 51.A N VAL 47.A O no hydrogen 2.908 N/A GLY 52.A N ALA 48.A O no hydrogen 3.238 N/A VAL 53.A N GLU 49.A O no hydrogen 3.134 N/A LEU 54.A N HIS 50.A O no hydrogen 2.886 N/A LYS 55.A N LEU 51.A O no hydrogen 2.895 N/A ARG 56.A N GLY 52.A O no hydrogen 2.993 N/A ARG 57.A N VAL 53.A O no hydrogen 3.143 N/A ARG 57.A N LEU 54.A O no hydrogen 3.252 N/A ASN 58.A N LYS 55.A O no hydrogen 3.019 N/A ILE 59.A N LEU 54.A O no hydrogen 3.092 N/A ASP 60.A N VAL 4.A O no hydrogen 2.885 N/A VAL 62.A N SER 81.A O no hydrogen 2.940 N/A VAL 63.A N ALA 6.A O no hydrogen 2.825 N/A LEU 64.A N VAL 83.A O no hydrogen 2.856 N/A PHE 65.A N ILE 8.A O no hydrogen 3.013 N/A GLY 66.A N LEU 85.A O no hydrogen 2.806 N/A THR 68.A OG1 SER 126.A O no hydrogen 3.325 N/A GLU 73.A N GLU 73.A OE1 no hydrogen 3.001 N/A MET 74.A N THR 71.A OG1 no hydrogen 3.405 N/A LEU 75.A N GLU 72.A O no hydrogen 3.183 N/A ALA 76.A N GLU 73.A O no hydrogen 3.448 N/A TRP 78.A N LEU 75.A O no hydrogen 2.977 N/A SER 81.A N TRP 78.A O no hydrogen 2.981 N/A VAL 83.A N VAL 62.A O no hydrogen 2.951 N/A LEU 84.A N ALA 93.A O no hydrogen 2.957 N/A LEU 85.A N LEU 64.A O no hydrogen 2.819 N/A ALA 86.A N VAL 95.A O no hydrogen 2.820 N/A ARG 87.A NH2 THR 68.A OG1 no hydrogen 2.797 N/A PHE 92.A N ALA 89.A O no hydrogen 3.025 N/A SER 94.A N GLN 246.A O no hydrogen 2.934 N/A VAL 95.A N LEU 84.A O no hydrogen 2.880 N/A CYS 96.A N ILE 248.A O no hydrogen 2.829 N/A GLY 101.A N ASP 98.A OD1 no hydrogen 2.995 N/A ALA 102.A N ASP 98.A O no hydrogen 2.958 N/A ILE 103.A N ASP 99.A O no hydrogen 3.230 N/A LYS 104.A N GLU 100.A O no hydrogen 2.958 N/A ILE 105.A N GLY 101.A O no hydrogen 3.044 N/A LEU 106.A N ALA 102.A O no hydrogen 3.243 N/A MET 107.A N ILE 103.A O no hydrogen 2.860 N/A GLN 108.A N LYS 104.A O no hydrogen 2.871 N/A GLN 108.A NE2 HIS 145.A NE2 no hydrogen 3.534 N/A ARG 109.A N ILE 105.A O no hydrogen 3.144 N/A LEU 110.A N LEU 106.A O no hydrogen 3.067 N/A TYR 111.A N MET 107.A O no hydrogen 2.827 N/A ASP 112.A N GLN 108.A O no hydrogen 2.770 N/A GLN 113.A N ARG 109.A O no hydrogen 2.912 N/A GLY 114.A N TYR 111.A O no hydrogen 3.063 N/A HIS 115.A N LEU 110.A O no hydrogen 3.048 N/A HIS 115.A ND1 THR 174.A OG1 no hydrogen 2.786 N/A ARG 116.A NH1 TYR 111.A O no hydrogen 2.810 N/A ARG 116.A NH1 HIS 115.A O no hydrogen 2.830 N/A SER 119.A N ALA 175.A O no hydrogen 2.876 N/A SER 119.A OG VAL 168.A O no hydrogen 2.678 N/A TYR 120.A N VAL 150.A O no hydrogen 2.803 N/A LEU 121.A N LEU 177.A O no hydrogen 2.981 N/A GLY 122.A N ALA 152.A O no hydrogen 2.854 N/A HIS 125.A NE2 HIS 135.A ND1 no hydrogen 2.788 N/A ASP 127.A N PRO 124.A O no hydrogen 3.049 N/A LYS 132.A N ASP 127.A O no hydrogen 2.909 N/A ARG 133.A N VAL 128.A O no hydrogen 2.958 N/A ARG 134.A N THR 129.A O no hydrogen 3.339 N/A ARG 134.A NE ASP 99.A OD1 no hydrogen 2.766 N/A ARG 134.A NH1 ALA 179.A O no hydrogen 2.764 N/A ARG 134.A NH2 ASP 99.A OD1 no hydrogen 2.857 N/A HIS 135.A N GLY 131.A O no hydrogen 3.153 N/A HIS 135.A ND1 HIS 125.A NE2 no hydrogen 2.788 N/A GLU 136.A N LYS 132.A O no hydrogen 2.902 N/A ALA 137.A N ARG 133.A O no hydrogen 3.063 N/A TYR 138.A N ARG 134.A O no hydrogen 3.210 N/A TYR 138.A OH ILE 118.A O no hydrogen 2.658 N/A LEU 139.A N HIS 135.A O no hydrogen 3.026 N/A ALA 140.A N GLU 136.A O no hydrogen 2.876 N/A PHE 141.A N ALA 137.A O no hydrogen 3.072 N/A CYS 142.A N TYR 138.A O no hydrogen 3.094 N/A CYS 142.A SG TYR 138.A O no hydrogen 3.362 N/A LYS 143.A N LEU 139.A O no hydrogen 2.979 N/A ALA 144.A N ALA 140.A O no hydrogen 3.050 N/A HIS 145.A N PHE 141.A O no hydrogen 3.124 N/A HIS 145.A ND1 PHE 141.A O no hydrogen 2.830 N/A LYS 146.A N LYS 143.A O no hydrogen 3.444 N/A LEU 147.A N CYS 142.A O no hydrogen 2.823 N/A VAL 150.A N TYR 138.A OH no hydrogen 3.161 N/A ALA 152.A N TYR 120.A O no hydrogen 3.140 N/A GLY 155.A N GLY 122.A O no hydrogen 3.448 N/A ALA 157.A N GLN 160.A OE1 no hydrogen 2.842 N/A GLN 160.A N ALA 157.A O no hydrogen 3.039 N/A GLY 161.A N ALA 157.A O no hydrogen 3.340 N/A TYR 162.A N MET 158.A O no hydrogen 3.177 N/A TYR 162.A OH GLU 193.A OE1 no hydrogen 2.648 N/A TYR 162.A OH GLU 193.A OE2 no hydrogen 2.994 N/A GLU 163.A N LYS 159.A O no hydrogen 2.944 N/A ASN 164.A N GLN 160.A O no hydrogen 3.126 N/A ASN 164.A ND2 GLN 160.A O no hydrogen 2.758 N/A VAL 165.A N GLY 161.A O no hydrogen 3.167 N/A VAL 168.A N VAL 165.A O no hydrogen 3.055 N/A ILE 169.A N ALA 166.A O no hydrogen 3.348 N/A THR 170.A N THR 173.A OG1 no hydrogen 3.034 N/A THR 170.A OG1 THR 173.A OG1 no hydrogen 2.869 N/A THR 173.A N THR 170.A O no hydrogen 3.193 N/A THR 173.A N THR 170.A OG1 no hydrogen 3.280 N/A THR 173.A OG1 THR 170.A O no hydrogen 3.565 N/A THR 173.A OG1 THR 170.A OG1 no hydrogen 2.869 N/A THR 174.A N ASN 117.A O no hydrogen 2.982 N/A THR 174.A OG1 HIS 115.A ND1 no hydrogen 2.786 N/A ALA 175.A N ASN 117.A O no hydrogen 3.313 N/A LEU 176.A N GLN 200.A O no hydrogen 2.938 N/A LEU 177.A N SER 119.A O no hydrogen 2.805 N/A CYS 178.A N ALA 202.A O no hydrogen 2.750 N/A ALA 179.A N LEU 121.A O no hydrogen 2.887 N/A ASP 181.A N VAL 204.A O no hydrogen 3.189 N/A LEU 183.A N THR 180.A OG1 no hydrogen 3.135 N/A ALA 184.A N THR 180.A O no hydrogen 3.185 N/A LEU 185.A N ASP 181.A O no hydrogen 2.884 N/A GLY 186.A N THR 182.A O no hydrogen 3.183 N/A ALA 187.A N LEU 183.A O no hydrogen 2.866 N/A SER 188.A N ALA 184.A O no hydrogen 2.864 N/A LYS 189.A N LEU 185.A O no hydrogen 3.285 N/A LYS 189.A NZ GLN 192.A OE1 no hydrogen 2.923 N/A TYR 190.A N GLY 186.A O no hydrogen 3.495 N/A LEU 191.A N ALA 187.A O no hydrogen 3.088 N/A GLN 192.A N SER 188.A O no hydrogen 2.954 N/A GLU 193.A N LYS 189.A O no hydrogen 3.101 N/A GLN 194.A N TYR 190.A O no hydrogen 2.940 N/A ARG 195.A N GLN 192.A O no hydrogen 3.160 N/A ILE 196.A N LEU 191.A O no hydrogen 2.796 N/A GLN 200.A N THR 174.A O no hydrogen 2.878 N/A GLN 200.A NE2 LEU 201.A O no hydrogen 2.779 N/A GLN 200.A NE2 GLU 216.A O no hydrogen 3.109 N/A ALA 202.A N LEU 176.A O no hydrogen 2.922 N/A SER 203.A N VAL 218.A O no hydrogen 2.945 N/A SER 203.A OG ASP 181.A OD1 no hydrogen 2.687 N/A GLY 205.A N VAL 220.A O no hydrogen 2.870 N/A ASN 206.A ND2 ASP 221.A OD2 no hydrogen 3.361 N/A THR 207.A N ASP 181.A OD2 no hydrogen 2.810 N/A THR 207.A OG1 ASP 181.A OD2 no hydrogen 2.711 N/A LYS 211.A N THR 207.A O no hydrogen 3.064 N/A PHE 212.A N PRO 208.A O no hydrogen 2.898 N/A LEU 213.A N LEU 209.A O no hydrogen 2.924 N/A HIS 214.A N MET 210.A O no hydrogen 2.769 N/A HIS 214.A ND1 GLU 216.A OE2 no hydrogen 2.824 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.943 N/A ILE 217.A N HIS 214.A O no hydrogen 3.175 N/A VAL 218.A N LEU 201.A O no hydrogen 3.015 N/A THR 219.A OG1 ASN 206.A OD1 no hydrogen 3.033 N/A VAL 220.A N SER 203.A O no hydrogen 3.073 N/A ASP 221.A N THR 253.A O no hydrogen 2.836 N/A GLY 223.A N ASP 221.A OD1 no hydrogen 2.862 N/A ALA 227.A N GLY 223.A O no hydrogen 2.834 N/A GLY 228.A N TYR 224.A O no hydrogen 2.984 N/A ARG 229.A N ALA 225.A O no hydrogen 3.297 N/A ARG 229.A NE GLU 226.A OE2 no hydrogen 3.165 N/A GLN 230.A N GLU 226.A O no hydrogen 2.965 N/A GLN 230.A NE2 GLU 226.A OE1 no hydrogen 3.050 N/A ALA 231.A N ALA 227.A O no hydrogen 2.894 N/A ALA 232.A N GLY 228.A O no hydrogen 3.118 N/A CYS 233.A N ARG 229.A O no hydrogen 3.055 N/A CYS 233.A SG ARG 229.A O no hydrogen 3.272 N/A GLN 234.A N GLN 230.A O no hydrogen 2.797 N/A GLN 234.A NE2 GLN 238.A OE1 no hydrogen 2.963 N/A GLN 234.A NE2 GLU 244.A O no hydrogen 3.169 N/A LEU 235.A N ALA 231.A O no hydrogen 2.926 N/A ILE 236.A N ALA 232.A O no hydrogen 3.105 N/A ALA 237.A N CYS 233.A O no hydrogen 2.978 N/A GLN 238.A N GLN 234.A O no hydrogen 3.003 N/A GLN 238.A NE2 SER 80.A O no hydrogen 3.319 N/A VAL 239.A N LEU 235.A O no hydrogen 3.011 N/A THR 240.A N ILE 236.A O no hydrogen 3.083 N/A THR 240.A OG1 ILE 236.A O no hydrogen 2.795 N/A THR 240.A OG1 ALA 237.A O no hydrogen 3.413 N/A GLY 241.A N GLN 238.A O no hydrogen 3.175 N/A SER 243.A N ALA 237.A O no hydrogen 3.095 N/A GLN 247.A NE2 PHE 92.A O no hydrogen 2.923 N/A ILE 248.A N SER 94.A O no hydrogen 2.797 N/A ILE 250.A N CYS 96.A O no hydrogen 2.814 N/A THR 253.A N ASP 221.A O no hydrogen 3.087 N/A SER 255.A N THR 219.A O no hydrogen 3.390 N/A