Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aou_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ASP 189.A OD2 no hydrogen 2.868 N/A LEU 4.A N GLU 241.A O no hydrogen 3.076 N/A SER 6.A N SER 3.A O no hydrogen 2.894 N/A SER 6.A OG SER 3.A O no hydrogen 2.879 N/A TYR 11.A N ASP 7.A O no hydrogen 3.058 N/A VAL 12.A N HIS 8.A O no hydrogen 3.192 N/A GLU 13.A N GLY 9.A O no hydrogen 3.410 N/A SER 14.A N LYS 10.A O no hydrogen 2.553 N/A SER 14.A OG LYS 10.A O no hydrogen 2.968 N/A SER 14.A OG TYR 11.A O no hydrogen 3.207 N/A ARG 16.A N VAL 12.A O no hydrogen 3.315 N/A ARG 17.A N GLU 13.A O no hydrogen 3.260 N/A PHE 18.A N SER 14.A O no hydrogen 3.049 N/A LEU 19.A N PHE 15.A O no hydrogen 3.036 N/A ASN 20.A N ARG 16.A O no hydrogen 3.139 N/A HIS 21.A N PHE 18.A O no hydrogen 3.079 N/A HIS 21.A ND1 ARG 17.A O no hydrogen 3.016 N/A SER 22.A OG PHE 18.A O no hydrogen 2.747 N/A THR 23.A N THR 218.A O no hydrogen 2.895 N/A THR 23.A OG1 SER 217.A OG no hydrogen 2.858 N/A GLU 24.A N SER 22.A OG no hydrogen 3.344 N/A CYS 27.A N THR 23.A O no hydrogen 2.779 N/A CYS 27.A SG LEU 215.A O no hydrogen 3.755 N/A CYS 27.A SG LEU 216.A O no hydrogen 3.699 N/A MET 28.A N GLU 24.A O no hydrogen 3.142 N/A GLN 29.A N HIS 25.A O.A no hydrogen 2.787 N/A GLN 29.A N HIS 25.A O.B no hydrogen 2.806 N/A GLN 29.A NE2 ASP 33.A OD2 no hydrogen 2.951 N/A GLU 30.A N GLN 26.A O no hydrogen 2.819 N/A PHE 31.A N CYS 27.A O no hydrogen 3.083 N/A MET 32.A N MET 28.A O no hydrogen 2.929 N/A ASP 33.A N GLN 29.A O no hydrogen 2.996 N/A LYS 34.A N GLU 30.A O no hydrogen 2.958 N/A LYS 35.A N PHE 31.A O no hydrogen 2.791 N/A LEU 36.A N PHE 31.A O no hydrogen 3.025 N/A ILE 39.A N LYS 35.A O no hydrogen 3.240 N/A ILE 40.A N LEU 36.A O no hydrogen 2.945 N/A ARG 42.A NH1 GLY 38.A O no hydrogen 3.268 N/A ARG 42.A NH2 GLY 38.A O no hydrogen 2.628 N/A ILE 43.A N ILE 40.A O no hydrogen 3.266 N/A GLY 44.A N TYR 74.A OH no hydrogen 3.035 N/A ASP 45.A N ARG 42.A O no hydrogen 3.188 N/A THR 46.A OG1 ASP 45.A O no hydrogen 2.473 N/A LYS 47.A N GLY 44.A O no hydrogen 3.138 N/A LYS 47.A NZ ILE 43.A O no hydrogen 2.649 N/A LYS 47.A NZ ASP 133.A OD1 no hydrogen 2.845 N/A LYS 47.A NZ THR 160.A O no hydrogen 2.840 N/A ILE 50.A N CYS 78.A O no hydrogen 3.037 N/A LYS 51.A N ASP 133.A OD2 no hydrogen 2.619 N/A LYS 51.A NZ GLN 130.A OE1 no hydrogen 2.965 N/A LYS 51.A NZ LYS 131.A O no hydrogen 3.166 N/A ILE 52.A N ASN 80.A O no hydrogen 2.761 N/A LEU 53.A N PHE 134.A O no hydrogen 2.842 N/A SER 54.A N GLU 82.A O no hydrogen 2.685 N/A SER 54.A OG ASP 63.A OD1 no hydrogen 3.137 N/A SER 54.A OG ASP 63.A OD2 no hydrogen 2.617 N/A ILE 55.A N HIS 136.A O no hydrogen 2.910 N/A GLY 56.A N VAL 84.A O no hydrogen 2.911 N/A LEU 64.A N GLY 60.A O no hydrogen 2.911 N/A ILE 66.A N ILE 62.A O no hydrogen 2.996 N/A LEU 67.A N ASP 63.A O no hydrogen 2.956 N/A SER 68.A N LEU 64.A O no hydrogen 2.847 N/A LYS 69.A N GLN 65.A O no hydrogen 3.037 N/A LYS 69.A NZ ASP 33.A OD1 no hydrogen 2.545 N/A VAL 70.A N ILE 66.A O no hydrogen 2.986 N/A GLN 71.A N LEU 67.A O no hydrogen 2.837 N/A ALA 72.A N SER 68.A O no hydrogen 3.073 N/A GLN 73.A N LYS 69.A O no hydrogen 3.154 N/A GLN 73.A N VAL 70.A O no hydrogen 3.039 N/A TYR 74.A N VAL 70.A O no hydrogen 2.959 N/A TYR 74.A OH ASP 45.A OD1 no hydrogen 2.477 N/A VAL 77.A N TYR 74.A O no hydrogen 3.197 N/A ILE 79.A N ASN 106.A O no hydrogen 2.911 N/A ASN 80.A N ILE 50.A O no hydrogen 2.844 N/A ASN 80.A ND2 GLU 82.A OE2 no hydrogen 3.500 N/A ASN 81.A N LYS 108.A O no hydrogen 2.960 N/A GLU 82.A N ILE 52.A O no hydrogen 2.840 N/A VAL 83.A N ALA 110.A O no hydrogen 2.597 N/A VAL 84.A N SER 54.A O no hydrogen 2.878 N/A GLU 85.A N HIS 112.A O no hydrogen 2.812 N/A SER 87.A N GLU 85.A OE2 no hydrogen 2.894 N/A GLN 90.A N SER 87.A OG no hydrogen 2.826 N/A ILE 91.A N SER 87.A O no hydrogen 3.131 N/A ALA 92.A N ALA 88.A O no hydrogen 3.069 N/A LYS 93.A N GLU 89.A O no hydrogen 3.120 N/A TYR 94.A N GLN 90.A O no hydrogen 2.741 N/A TYR 94.A OH ASP 63.A OD2 no hydrogen 2.467 N/A LYS 95.A N ILE 91.A O no hydrogen 2.875 N/A GLU 96.A N ALA 92.A O no hydrogen 3.141 N/A LEU 97.A N LYS 93.A O no hydrogen 2.947 N/A VAL 98.A N TYR 94.A O no hydrogen 2.954 N/A ALA 99.A N LYS 95.A O no hydrogen 2.894 N/A LYS 100.A N GLU 96.A O no hydrogen 3.065 N/A LYS 100.A N LEU 97.A O no hydrogen 2.996 N/A THR 101.A N VAL 98.A O no hydrogen 3.154 N/A THR 101.A OG1 LEU 97.A O no hydrogen 2.636 N/A VAL 107.A N LEU 104.A O no hydrogen 2.975 N/A LYS 108.A N ILE 79.A O no hydrogen 2.882 N/A ALA 110.A N ASN 81.A O no hydrogen 3.188 N/A HIS 112.A N VAL 83.A O no hydrogen 2.644 N/A HIS 112.A NE2 GLU 82.A OE1 no hydrogen 2.525 N/A GLU 114.A N GLU 85.A O no hydrogen 3.218 N/A THR 115.A N GLU 118.A OE1 no hydrogen 3.433 N/A THR 115.A OG1 GLU 118.A OE2 no hydrogen 2.967 N/A GLU 118.A N THR 115.A OG1 no hydrogen 3.138 N/A TYR 119.A N THR 115.A O no hydrogen 2.897 N/A GLN 120.A N SER 116.A O no hydrogen 2.938 N/A GLN 120.A NE2 ALA 149.A O no hydrogen 3.652 N/A SER 121.A N SER 117.A O no hydrogen 3.002 N/A SER 121.A OG SER 117.A O no hydrogen 3.285 N/A ARG 122.A N GLU 118.A O no hydrogen 2.889 N/A ARG 122.A NE GLU 114.A OE1 no hydrogen 3.303 N/A ARG 122.A NH2 GLU 114.A OE2 no hydrogen 2.727 N/A MET 123.A N TYR 119.A O no hydrogen 2.961 N/A LEU 124.A N GLN 120.A O no hydrogen 2.984 N/A LYS 126.A N MET 123.A O no hydrogen 3.099 N/A LYS 131.A NZ SER 156.A O no hydrogen 2.964 N/A TRP 132.A N LEU 157.A O no hydrogen 2.782 N/A ASP 133.A N LYS 51.A O no hydrogen 2.843 N/A PHE 134.A N LYS 51.A O no hydrogen 3.094 N/A ILE 135.A N LYS 163.A O no hydrogen 2.985 N/A HIS 136.A N LEU 53.A O no hydrogen 3.097 N/A MET 137.A N LEU 165.A O no hydrogen 2.780 N/A GLN 139.A N ILE 167.A O no hydrogen 2.857 N/A GLN 139.A NE2 GLU 24.A OE2 no hydrogen 2.656 N/A TYR 142.A OH GLN 139.A OE1 no hydrogen 2.623 N/A TYR 143.A N MET 140.A O no hydrogen 3.107 N/A VAL 144.A N LEU 141.A O no hydrogen 3.220 N/A ALA 149.A N ASP 146.A OD1 no hydrogen 3.007 N/A THR 150.A N ASP 146.A O no hydrogen 3.016 N/A THR 150.A OG1 ASP 146.A O no hydrogen 2.675 N/A LEU 151.A N ILE 147.A O no hydrogen 2.857 N/A LYS 152.A N PRO 148.A O no hydrogen 2.921 N/A PHE 153.A N ALA 149.A O no hydrogen 2.922 N/A PHE 154.A N THR 150.A O no hydrogen 2.927 N/A HIS 155.A N LEU 151.A O no hydrogen 2.959 N/A HIS 155.A NE2 ALA 286.A OXT no hydrogen 2.931 N/A SER 156.A N LYS 152.A O no hydrogen 3.145 N/A SER 156.A OG PHE 153.A O no hydrogen 2.536 N/A LEU 157.A N PHE 154.A O no hydrogen 3.088 N/A LEU 158.A N HIS 155.A O no hydrogen 3.126 N/A GLY 159.A N TRP 132.A O no hydrogen 2.844 N/A ALA 162.A N GLY 159.A O no hydrogen 2.993 N/A LYS 163.A N ASP 133.A O no hydrogen 3.058 N/A LYS 163.A NZ ILE 39.A O no hydrogen 2.747 N/A LYS 163.A NZ GLU 285.A OE2 no hydrogen 3.444 N/A MET 164.A N ILE 284.A O no hydrogen 2.859 N/A LEU 165.A N ILE 135.A O no hydrogen 2.743 N/A ILE 166.A N ILE 282.A O no hydrogen 2.751 N/A ILE 167.A N MET 137.A O no hydrogen 3.158 N/A VAL 168.A N SER 280.A O no hydrogen 3.309 N/A VAL 169.A N TYR 142.A OH no hydrogen 2.806 N/A SER 170.A N THR 278.A O no hydrogen 2.969 N/A SER 170.A OG SER 172.A OG no hydrogen 3.227 N/A SER 170.A OG ASP 214.A OD2 no hydrogen 2.591 N/A GLY 171.A N SER 197.A OG no hydrogen 3.150 N/A SER 172.A N SER 170.A OG no hydrogen 3.145 N/A SER 172.A OG SER 170.A OG no hydrogen 3.227 N/A SER 173.A N SER 170.A O no hydrogen 3.116 N/A SER 173.A OG SER 170.A O no hydrogen 2.709 N/A GLY 174.A N ASN 276.A O no hydrogen 2.753 N/A TRP 175.A N SER 173.A OG no hydrogen 3.235 N/A TRP 175.A NE1 ASN 277.A OD1 no hydrogen 2.723 N/A LYS 177.A NZ GLY 171.A O no hydrogen 2.907 N/A LYS 177.A NZ ASP 176.A OD1 no hydrogen 3.032 N/A LEU 178.A N GLY 174.A O no hydrogen 2.834 N/A TRP 179.A N TRP 175.A O no hydrogen 2.876 N/A LYS 180.A N ASP 176.A O no hydrogen 3.078 N/A LYS 180.A N LYS 177.A O no hydrogen 3.157 N/A LYS 180.A NZ ASP 176.A OD1 no hydrogen 2.851 N/A LYS 181.A N LYS 177.A O no hydrogen 3.031 N/A LYS 181.A NZ ASP 259.A OD2 no hydrogen 3.155 N/A TYR 182.A N LEU 178.A O no hydrogen 3.267 N/A TYR 182.A OH GLU 255.A OE2 no hydrogen 3.302 N/A TYR 182.A OH ASP 259.A OD2 no hydrogen 2.627 N/A PHE 186.A N GLY 183.A O no hydrogen 3.301 N/A LEU 191.A N ASP 189.A OD1 no hydrogen 2.750 N/A CYS 192.A SG GLN 193.A O no hydrogen 3.976 N/A GLN 193.A N TYR 142.A O no hydrogen 2.759 N/A GLN 193.A NE2 VAL 144.A O no hydrogen 2.797 N/A TYR 194.A OH ASP 189.A OD2 no hydrogen 2.844 N/A THR 196.A N ASP 199.A OD2 no hydrogen 2.746 N/A THR 196.A OG1 ASP 199.A OD2 no hydrogen 3.539 N/A SER 197.A N VAL 169.A O no hydrogen 3.050 N/A SER 197.A OG SER 280.A OG no hydrogen 2.985 N/A ASP 198.A N THR 196.A OG1 no hydrogen 3.060 N/A LEU 200.A N THR 196.A O no hydrogen 3.286 N/A THR 201.A N SER 197.A O no hydrogen 2.874 N/A THR 201.A OG1 SER 197.A O no hydrogen 3.195 N/A THR 201.A OG1 ASP 198.A O no hydrogen 3.073 N/A GLN 202.A N ASP 198.A O no hydrogen 3.201 N/A GLN 202.A NE2 ASP 198.A O no hydrogen 3.578 N/A MET 203.A N ASP 199.A O no hydrogen 3.017 N/A LEU 204.A N LEU 200.A O no hydrogen 2.728 N/A ASP 205.A N THR 201.A O no hydrogen 2.851 N/A ASN 206.A N GLN 202.A O no hydrogen 3.069 N/A LEU 207.A N MET 203.A O no hydrogen 2.869 N/A GLY 208.A N ASP 205.A O no hydrogen 2.826 N/A LEU 209.A N LEU 204.A O no hydrogen 3.171 N/A TYR 211.A OH ASP 205.A OD1 no hydrogen 2.899 N/A GLU 212.A N VAL 283.A O no hydrogen 2.953 N/A LEU 215.A N LEU 279.A O no hydrogen 2.946 N/A SER 217.A OG THR 23.A OG1 no hydrogen 2.858 N/A THR 218.A N THR 23.A OG1 no hydrogen 2.959 N/A MET 219.A N PHE 275.A O no hydrogen 3.017 N/A ASP 220.A N HIS 21.A O no hydrogen 2.574 N/A ILE 221.A N VAL 273.A O no hydrogen 2.941 N/A SER 222.A N ASP 220.A OD1 no hydrogen 3.218 N/A SER 222.A OG ASP 220.A OD1 no hydrogen 3.366 N/A SER 222.A OG ASP 220.A OD2 no hydrogen 3.562 N/A CYS 224.A N ILE 221.A O no hydrogen 3.274 N/A CYS 224.A SG GLY 232.A O no hydrogen 3.533 N/A PHE 225.A N SER 222.A O no hydrogen 2.843 N/A ILE 226.A N ASP 223.A O no hydrogen 3.226 N/A ASN 231.A ND2 ASP 223.A OD2 no hydrogen 2.902 N/A GLY 232.A N ASN 229.A OD1 no hydrogen 3.146 N/A ASP 233.A N ASN 229.A O no hydrogen 3.301 N/A LEU 234.A N GLU 230.A O no hydrogen 3.264 N/A LEU 235.A N ASN 231.A O no hydrogen 2.941 N/A TRP 236.A N GLY 232.A O no hydrogen 2.826 N/A TRP 236.A NE1 CYS 224.A O no hydrogen 2.658 N/A ASP 237.A N ASP 233.A O no hydrogen 3.355 N/A ASP 237.A N LEU 234.A O no hydrogen 3.203 N/A PHE 238.A N LEU 234.A O no hydrogen 3.284 N/A LEU 239.A N LEU 235.A O no hydrogen 2.871 N/A THR 240.A N TRP 236.A O no hydrogen 2.985 N/A THR 240.A N ASP 237.A O no hydrogen 3.061 N/A THR 240.A OG1 TRP 236.A O no hydrogen 2.532 N/A THR 240.A OG1 ASP 237.A O no hydrogen 3.251 N/A GLU 241.A N PHE 238.A O no hydrogen 3.182 N/A THR 242.A N ASP 237.A O no hydrogen 3.072 N/A THR 242.A OG1 THR 240.A O no hydrogen 2.780 N/A PHE 244.A N ASP 237.A OD1 no hydrogen 3.118 N/A THR 247.A N ASN 243.A O no hydrogen 2.706 N/A ARG 253.A N PRO 249.A O no hydrogen 3.028 N/A ARG 253.A NE ASN 245.A OD1 no hydrogen 2.768 N/A ARG 253.A NH1 ARG 253.A O no hydrogen 2.852 N/A ALA 254.A N PRO 250.A O no hydrogen 2.711 N/A GLU 255.A N ASP 251.A O no hydrogen 2.902 N/A LEU 256.A N LEU 252.A O no hydrogen 2.825 N/A GLY 257.A N ARG 253.A O no hydrogen 2.979 N/A LYS 258.A N GLU 255.A O no hydrogen 2.786 N/A ASP 259.A N GLU 255.A O no hydrogen 3.335 N/A ASP 259.A N ASP 259.A OD1 no hydrogen 2.549 N/A GLN 261.A N LYS 258.A O no hydrogen 3.319 N/A GLN 261.A NE2 GLY 257.A O no hydrogen 3.686 N/A GLU 262.A N ASP 259.A O no hydrogen 3.200 N/A PHE 265.A N GLU 262.A O no hydrogen 2.853 N/A SER 266.A N GLU 262.A O no hydrogen 2.921 N/A SER 266.A OG LEU 260.A O no hydrogen 2.850 N/A ALA 267.A N LEU 274.A O no hydrogen 2.668 N/A LYS 268.A NZ GLN 261.A OE1 no hydrogen 3.106 N/A LYS 269.A N LYS 272.A O no hydrogen 3.169 N/A VAL 273.A N SER 222.A OG no hydrogen 3.185 N/A LEU 274.A N ALA 267.A O no hydrogen 2.544 N/A PHE 275.A N MET 219.A O no hydrogen 2.848 N/A ASN 276.A N PHE 265.A O no hydrogen 2.945 N/A ASN 277.A N SER 217.A O no hydrogen 2.664 N/A ASN 277.A ND2 GLU 24.A OE1 no hydrogen 2.829 N/A ASN 277.A ND2 SER 217.A OG no hydrogen 3.050 N/A THR 278.A N ASN 276.A OD1 no hydrogen 2.935 N/A THR 278.A OG1 ASN 276.A OD1 no hydrogen 2.512 N/A LEU 279.A N LEU 215.A O no hydrogen 2.857 N/A SER 280.A N VAL 168.A O no hydrogen 2.904 N/A SER 280.A OG SER 197.A OG no hydrogen 2.985 N/A SER 280.A OG ASP 214.A OD1 no hydrogen 2.612 N/A PHE 281.A N TYR 213.A O no hydrogen 2.676 N/A ILE 282.A N ILE 166.A O no hydrogen 2.736 N/A VAL 283.A N GLU 212.A O no hydrogen 2.855 N/A ILE 284.A N MET 164.A O no hydrogen 2.711 N/A GLU 285.A N LYS 210.A O no hydrogen 3.172 N/A