Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aou_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG ASP 189.A OD1 no hydrogen 3.506 N/A SER 4.A OG ASP 189.A OD2 no hydrogen 2.636 N/A LEU 5.A N GLU 242.A O no hydrogen 2.703 N/A SER 7.A N SER 4.A O no hydrogen 2.936 N/A SER 7.A OG SER 4.A O no hydrogen 2.377 N/A ASP 8.A N LEU 5.A O no hydrogen 3.053 N/A HIS 9.A NE2 GLU 89.A OE1 no hydrogen 2.702 N/A LYS 11.A N ASP 8.A OD1 no hydrogen 2.945 N/A TYR 12.A N ASP 8.A O no hydrogen 2.713 N/A VAL 13.A N HIS 9.A O no hydrogen 3.180 N/A GLU 14.A N GLY 10.A O no hydrogen 3.198 N/A SER 15.A N LYS 11.A O no hydrogen 2.932 N/A SER 15.A OG LYS 11.A O no hydrogen 2.521 N/A ARG 17.A N VAL 13.A O no hydrogen 3.101 N/A ARG 18.A N GLU 14.A O no hydrogen 2.988 N/A ARG 18.A NE GLU 14.A OE2 no hydrogen 2.514 N/A ARG 18.A NH1 ASN 232.A OD1 no hydrogen 2.957 N/A PHE 19.A N SER 15.A O no hydrogen 2.901 N/A PHE 19.A N PHE 16.A O no hydrogen 3.259 N/A LEU 20.A N PHE 16.A O no hydrogen 3.132 N/A ASN 21.A N ARG 17.A O no hydrogen 3.094 N/A HIS 22.A N PHE 19.A O no hydrogen 2.974 N/A HIS 22.A ND1 ARG 18.A O no hydrogen 2.663 N/A SER 23.A N LEU 20.A O no hydrogen 3.414 N/A SER 23.A OG PHE 19.A O no hydrogen 2.836 N/A THR 24.A N THR 219.A O no hydrogen 3.032 N/A THR 24.A OG1 SER 218.A OG no hydrogen 2.947 N/A GLU 25.A N SER 23.A OG no hydrogen 3.241 N/A CYS 28.A N THR 24.A O no hydrogen 2.729 N/A CYS 28.A SG LEU 216.A O no hydrogen 3.723 N/A CYS 28.A SG LEU 217.A O no hydrogen 3.884 N/A MET 29.A N GLU 25.A O no hydrogen 3.194 N/A GLN 30.A N HIS 26.A O no hydrogen 2.762 N/A GLU 31.A N GLN 27.A O no hydrogen 2.886 N/A PHE 32.A N CYS 28.A O no hydrogen 3.094 N/A MET 33.A N MET 29.A O no hydrogen 2.862 N/A ASP 34.A N GLN 30.A O no hydrogen 2.835 N/A LYS 35.A N GLU 31.A O no hydrogen 3.043 N/A LYS 35.A NZ GLU 31.A OE2 no hydrogen 2.919 N/A LYS 36.A N PHE 32.A O no hydrogen 2.744 N/A LEU 37.A N PHE 32.A O no hydrogen 3.114 N/A ILE 40.A N LYS 36.A O no hydrogen 3.389 N/A ILE 41.A N LEU 37.A O no hydrogen 2.975 N/A GLY 42.A N GLY 39.A O no hydrogen 3.366 N/A ILE 44.A N ILE 41.A O no hydrogen 3.333 N/A GLY 45.A N TYR 75.A OH no hydrogen 3.034 N/A ASP 46.A N ARG 43.A O no hydrogen 3.345 N/A THR 47.A OG1 ASP 46.A O no hydrogen 2.498 N/A LYS 48.A N GLY 45.A O no hydrogen 2.996 N/A LYS 48.A NZ ILE 44.A O no hydrogen 3.020 N/A LYS 48.A NZ ASP 133.A OD1 no hydrogen 2.800 N/A LYS 48.A NZ THR 160.A O no hydrogen 2.633 N/A LYS 52.A N ASP 133.A OD2 no hydrogen 2.881 N/A LYS 52.A NZ GLN 130.A OE1 no hydrogen 2.470 N/A ILE 53.A N ASN 80.A O no hydrogen 2.699 N/A LEU 54.A N PHE 134.A O no hydrogen 2.807 N/A SER 55.A N GLU 82.A O no hydrogen 2.698 N/A SER 55.A OG ASP 64.A OD1 no hydrogen 3.343 N/A SER 55.A OG ASP 64.A OD2 no hydrogen 2.760 N/A ILE 56.A N HIS 136.A O no hydrogen 2.946 N/A GLY 57.A N VAL 84.A O no hydrogen 2.694 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.691 N/A LEU 65.A N GLY 61.A O no hydrogen 3.058 N/A GLN 66.A N GLU 62.A O no hydrogen 3.268 N/A ILE 67.A N ILE 63.A O no hydrogen 2.860 N/A LEU 68.A N ASP 64.A O no hydrogen 2.821 N/A SER 69.A N LEU 65.A O no hydrogen 2.936 N/A LYS 70.A N GLN 66.A O no hydrogen 3.217 N/A LYS 70.A NZ ASP 34.A OD1 no hydrogen 2.854 N/A VAL 71.A N ILE 67.A O no hydrogen 3.074 N/A GLN 72.A N LEU 68.A O no hydrogen 2.822 N/A GLN 72.A NE2 ASN 103.A O no hydrogen 3.620 N/A GLN 72.A NE2 GLU 105.A O.B no hydrogen 3.061 N/A ALA 73.A N SER 69.A O no hydrogen 3.122 N/A GLN 74.A N LYS 70.A O no hydrogen 3.106 N/A TYR 75.A N VAL 71.A O no hydrogen 2.870 N/A TYR 75.A OH ASP 46.A OD1 no hydrogen 2.605 N/A VAL 78.A N TYR 75.A O no hydrogen 3.183 N/A ASN 80.A N ILE 51.A O no hydrogen 2.658 N/A ASN 80.A ND2 GLU 82.A OE2 no hydrogen 3.467 N/A ASN 81.A N LYS 108.A O no hydrogen 2.854 N/A GLU 82.A N ILE 53.A O no hydrogen 2.815 N/A VAL 83.A N ALA 110.A O no hydrogen 2.767 N/A VAL 84.A N SER 55.A O no hydrogen 2.793 N/A GLU 85.A N HIS 112.A O no hydrogen 2.995 N/A SER 87.A N GLU 85.A OE2 no hydrogen 2.990 N/A SER 87.A OG GLU 89.A OE1 no hydrogen 3.125 N/A GLN 90.A N SER 87.A OG no hydrogen 3.104 N/A ILE 91.A N SER 87.A O no hydrogen 3.096 N/A ALA 92.A N ALA 88.A O no hydrogen 3.046 N/A LYS 93.A N GLU 89.A O no hydrogen 3.207 N/A TYR 94.A N GLN 90.A O no hydrogen 2.963 N/A TYR 94.A OH ASP 64.A OD2 no hydrogen 2.643 N/A LYS 95.A N ILE 91.A O no hydrogen 2.889 N/A GLU 96.A N ALA 92.A O no hydrogen 3.065 N/A LEU 97.A N LYS 93.A O no hydrogen 2.877 N/A VAL 98.A N TYR 94.A O no hydrogen 3.017 N/A ALA 99.A N LYS 95.A O no hydrogen 2.923 N/A LYS 100.A N GLU 96.A O no hydrogen 3.273 N/A LYS 100.A N LEU 97.A O no hydrogen 3.048 N/A THR 101.A N VAL 98.A O no hydrogen 2.953 N/A THR 101.A OG1 LEU 97.A O no hydrogen 2.652 N/A LYS 108.A N ILE 79.A O no hydrogen 2.782 N/A ALA 110.A N ASN 81.A O no hydrogen 3.202 N/A HIS 112.A N VAL 83.A O no hydrogen 2.754 N/A HIS 112.A NE2 GLU 82.A OE1 no hydrogen 2.891 N/A GLU 114.A N GLU 85.A O no hydrogen 3.223 N/A GLU 114.A N HIS 112.A O no hydrogen 2.914 N/A THR 115.A N GLU 118.A OE1 no hydrogen 2.759 N/A GLU 118.A N THR 115.A OG1 no hydrogen 3.019 N/A TYR 119.A N THR 115.A O no hydrogen 2.962 N/A GLN 120.A N SER 116.A O no hydrogen 2.826 N/A SER 121.A N SER 117.A O no hydrogen 3.088 N/A SER 121.A OG SER 117.A O no hydrogen 3.464 N/A ARG 122.A N GLU 118.A O no hydrogen 2.817 N/A ARG 122.A NE GLU 114.A OE1 no hydrogen 3.040 N/A ARG 122.A NH2 GLU 114.A OE1 no hydrogen 3.568 N/A ARG 122.A NH2 GLU 114.A OE2 no hydrogen 2.718 N/A MET 123.A N TYR 119.A O no hydrogen 2.818 N/A LEU 124.A N GLN 120.A O no hydrogen 3.041 N/A GLU 125.A N ARG 122.A O no hydrogen 3.350 N/A LYS 126.A N MET 123.A O no hydrogen 3.203 N/A LYS 131.A NZ SER 156.A O no hydrogen 2.916 N/A TRP 132.A N LEU 157.A O no hydrogen 2.727 N/A ASP 133.A N LYS 52.A O no hydrogen 2.925 N/A PHE 134.A N LYS 52.A O no hydrogen 3.206 N/A ILE 135.A N LYS 163.A O no hydrogen 3.034 N/A HIS 136.A N LEU 54.A O no hydrogen 3.069 N/A MET 137.A N LEU 165.A O no hydrogen 2.757 N/A GLN 139.A N ILE 167.A O no hydrogen 2.861 N/A GLN 139.A NE2 GLU 25.A OE2 no hydrogen 2.833 N/A TYR 142.A OH GLN 139.A OE1 no hydrogen 2.645 N/A TYR 143.A N MET 140.A O no hydrogen 3.155 N/A VAL 144.A N LEU 141.A O no hydrogen 2.961 N/A ALA 149.A N ASP 146.A OD1 no hydrogen 3.178 N/A THR 150.A N ASP 146.A O no hydrogen 3.026 N/A THR 150.A OG1 ASP 146.A O no hydrogen 2.784 N/A LEU 151.A N ILE 147.A O no hydrogen 2.790 N/A LYS 152.A N PRO 148.A O no hydrogen 2.928 N/A PHE 153.A N ALA 149.A O no hydrogen 2.868 N/A PHE 154.A N THR 150.A O no hydrogen 3.000 N/A HIS 155.A N LEU 151.A O no hydrogen 2.980 N/A SER 156.A N LYS 152.A O no hydrogen 3.072 N/A SER 156.A OG PHE 153.A O no hydrogen 2.561 N/A LEU 157.A N PHE 154.A O no hydrogen 2.980 N/A LEU 158.A N HIS 155.A O no hydrogen 3.020 N/A GLY 159.A N TRP 132.A O no hydrogen 2.783 N/A ALA 162.A N GLY 159.A O no hydrogen 3.143 N/A LYS 163.A N ASP 133.A O no hydrogen 3.286 N/A LYS 163.A NZ GLU 287.A OE1 no hydrogen 2.703 N/A LYS 163.A NZ GLU 287.A OE2 no hydrogen 3.288 N/A MET 164.A N ILE 286.A O no hydrogen 3.000 N/A LEU 165.A N ILE 135.A O no hydrogen 2.756 N/A ILE 166.A N ILE 284.A O no hydrogen 2.697 N/A ILE 167.A N MET 137.A O no hydrogen 3.161 N/A VAL 168.A N SER 282.A O no hydrogen 3.246 N/A VAL 169.A N TYR 142.A OH no hydrogen 2.830 N/A SER 170.A N THR 280.A O no hydrogen 2.964 N/A SER 170.A OG SER 172.A OG no hydrogen 3.105 N/A SER 170.A OG ASP 215.A OD1 no hydrogen 3.517 N/A SER 170.A OG ASP 215.A OD2 no hydrogen 2.937 N/A GLY 171.A N SER 197.A OG no hydrogen 3.144 N/A SER 172.A N SER 170.A OG no hydrogen 3.103 N/A SER 172.A OG SER 170.A OG no hydrogen 3.105 N/A SER 173.A N SER 170.A O no hydrogen 3.064 N/A SER 173.A OG SER 170.A O no hydrogen 2.963 N/A GLY 174.A N ASN 278.A O no hydrogen 2.943 N/A TRP 175.A N SER 173.A OG no hydrogen 3.162 N/A TRP 175.A NE1 ASN 279.A OD1 no hydrogen 2.848 N/A ASP 176.A N SER 173.A O no hydrogen 3.252 N/A LYS 177.A NZ GLY 171.A O no hydrogen 3.385 N/A LYS 177.A NZ SER 173.A O no hydrogen 3.042 N/A LYS 177.A NZ ASP 176.A OD2 no hydrogen 2.971 N/A LEU 178.A N GLY 174.A O no hydrogen 2.947 N/A TRP 179.A N TRP 175.A O no hydrogen 2.897 N/A LYS 180.A N ASP 176.A O no hydrogen 2.941 N/A LYS 180.A NZ ASP 176.A OD1 no hydrogen 2.813 N/A LYS 181.A N LYS 177.A O no hydrogen 2.986 N/A LYS 181.A NZ ASP 261.A OD2 no hydrogen 2.874 N/A TYR 182.A N LEU 178.A O no hydrogen 2.879 N/A TYR 182.A OH ASP 261.A OD2 no hydrogen 2.641 N/A ARG 185.A N.A TYR 182.A O no hydrogen 2.850 N/A ARG 185.A N.B TYR 182.A O no hydrogen 2.858 N/A PHE 186.A N GLY 183.A O no hydrogen 3.131 N/A LEU 191.A N ASP 189.A OD1 no hydrogen 2.680 N/A CYS 192.A N ASP 189.A OD1 no hydrogen 3.036 N/A GLN 193.A N TYR 142.A O no hydrogen 2.712 N/A GLN 193.A NE2 VAL 144.A O no hydrogen 2.759 N/A TYR 194.A OH ASP 189.A OD2 no hydrogen 2.707 N/A ILE 195.A N GLN 193.A O no hydrogen 3.029 N/A THR 196.A N ASP 199.A OD2 no hydrogen 2.996 N/A SER 197.A N VAL 169.A O no hydrogen 2.941 N/A SER 197.A OG SER 282.A OG no hydrogen 2.978 N/A ASP 198.A N THR 196.A OG1 no hydrogen 3.030 N/A LEU 200.A N THR 196.A O no hydrogen 3.268 N/A THR 201.A N SER 197.A O no hydrogen 2.876 N/A THR 201.A OG1 SER 197.A O no hydrogen 3.082 N/A THR 201.A OG1 ASP 198.A O no hydrogen 3.143 N/A GLN 202.A N ASP 198.A O no hydrogen 3.135 N/A MET 203.A N ASP 199.A O no hydrogen 2.961 N/A LEU 204.A N LEU 200.A O no hydrogen 2.767 N/A ASP 205.A N THR 201.A O no hydrogen 2.779 N/A ASN 206.A N GLN 202.A O no hydrogen 3.080 N/A LEU 207.A N MET 203.A O no hydrogen 2.983 N/A LEU 207.A N LEU 204.A O no hydrogen 2.973 N/A GLY 208.A N ASP 205.A O no hydrogen 2.831 N/A LEU 209.A N LEU 204.A O no hydrogen 3.142 N/A TYR 211.A OH ASP 205.A OD1 no hydrogen 2.780 N/A GLU 212.A N VAL 285.A O no hydrogen 2.899 N/A TYR 214.A N PHE 283.A O no hydrogen 2.863 N/A LEU 216.A N LEU 281.A O no hydrogen 2.949 N/A SER 218.A OG THR 24.A OG1 no hydrogen 2.947 N/A THR 219.A N THR 24.A OG1 no hydrogen 3.182 N/A MET 220.A N PHE 277.A O no hydrogen 2.989 N/A ASP 221.A N HIS 22.A O no hydrogen 2.782 N/A ILE 222.A N VAL 275.A O no hydrogen 2.949 N/A SER 223.A N ASP 221.A OD1 no hydrogen 3.473 N/A SER 223.A OG ASP 221.A OD1 no hydrogen 2.595 N/A CYS 225.A N ILE 222.A O no hydrogen 2.961 N/A CYS 225.A SG GLY 233.A O no hydrogen 3.671 N/A PHE 226.A N SER 223.A O no hydrogen 3.023 N/A ILE 227.A N ASP 224.A O no hydrogen 2.971 N/A ASN 232.A ND2 ASP 224.A OD2 no hydrogen 3.101 N/A GLY 233.A N ASN 230.A OD1 no hydrogen 2.614 N/A ASP 234.A N ASN 230.A O no hydrogen 3.079 N/A LEU 235.A N GLU 231.A O no hydrogen 3.223 N/A LEU 236.A N ASN 232.A O no hydrogen 2.924 N/A TRP 237.A N GLY 233.A O no hydrogen 2.892 N/A TRP 237.A NE1 CYS 225.A O no hydrogen 2.651 N/A ASP 238.A N ASP 234.A O no hydrogen 3.340 N/A PHE 239.A N LEU 235.A O no hydrogen 3.232 N/A LEU 240.A N LEU 236.A O no hydrogen 2.817 N/A THR 241.A N TRP 237.A O no hydrogen 2.951 N/A THR 241.A OG1 TRP 237.A O no hydrogen 2.750 N/A THR 241.A OG1 ASP 238.A O no hydrogen 3.492 N/A GLU 242.A N PHE 239.A O no hydrogen 3.375 N/A THR 243.A N ASP 238.A O no hydrogen 3.044 N/A THR 243.A OG1 THR 241.A O no hydrogen 2.938 N/A CYS 244.A N ARG 3.A O no hydrogen 3.318 N/A CYS 244.A SG ARG 3.A O no hydrogen 3.697 N/A CYS 244.A SG SER 4.A O no hydrogen 3.844 N/A CYS 244.A SG SER 7.A OG no hydrogen 3.652 N/A ASN 245.A N ASP 238.A OD2 no hydrogen 2.351 N/A PHE 246.A N ASP 238.A OD1 no hydrogen 3.008 N/A ALA 248.A N ASN 245.A O no hydrogen 3.102 N/A THR 249.A N PHE 246.A O no hydrogen 3.264 N/A THR 249.A OG1 ASN 245.A O no hydrogen 2.896 N/A ALA 250.A N PHE 246.A O no hydrogen 2.947 N/A ARG 255.A N PRO 251.A O no hydrogen 3.178 N/A ARG 255.A NE ASN 247.A OD1 no hydrogen 2.788 N/A ALA 256.A N PRO 252.A O no hydrogen 3.021 N/A GLU 257.A N ASP 253.A O no hydrogen 2.909 N/A LEU 258.A N LEU 254.A O no hydrogen 2.960 N/A GLY 259.A N ARG 255.A O no hydrogen 2.760 N/A LYS 260.A N ALA 256.A O no hydrogen 3.292 N/A ASP 261.A N GLU 257.A O no hydrogen 2.656 N/A LEU 262.A N LEU 258.A O no hydrogen 2.767 N/A GLN 263.A N LYS 260.A O no hydrogen 2.965 N/A GLN 263.A NE2 GLY 259.A O no hydrogen 2.499 N/A GLU 264.A N ASP 261.A O no hydrogen 2.851 N/A PHE 267.A N GLU 264.A O no hydrogen 2.693 N/A SER 268.A N GLU 264.A O no hydrogen 2.937 N/A SER 268.A OG LEU 262.A O no hydrogen 2.919 N/A ALA 269.A N LEU 276.A O no hydrogen 2.959 N/A LYS 271.A N LYS 274.A O no hydrogen 3.184 N/A VAL 275.A N SER 223.A OG no hydrogen 3.346 N/A LEU 276.A N ALA 269.A O no hydrogen 2.729 N/A PHE 277.A N MET 220.A O no hydrogen 2.927 N/A ASN 278.A N PHE 267.A O no hydrogen 2.919 N/A ASN 279.A N SER 218.A O no hydrogen 2.816 N/A ASN 279.A ND2 GLU 25.A OE1 no hydrogen 2.909 N/A ASN 279.A ND2 SER 218.A OG no hydrogen 3.082 N/A THR 280.A N ASN 278.A OD1 no hydrogen 2.798 N/A THR 280.A OG1 ASN 278.A OD1 no hydrogen 2.496 N/A LEU 281.A N LEU 216.A O no hydrogen 2.931 N/A SER 282.A N VAL 168.A O no hydrogen 2.794 N/A SER 282.A OG SER 197.A OG no hydrogen 2.978 N/A SER 282.A OG ASP 215.A OD1 no hydrogen 2.601 N/A PHE 283.A N TYR 214.A O no hydrogen 2.768 N/A ILE 284.A N ILE 166.A O no hydrogen 2.705 N/A VAL 285.A N GLU 212.A O no hydrogen 2.833 N/A ILE 286.A N MET 164.A O no hydrogen 2.692 N/A GLU 287.A N LYS 210.A O no hydrogen 2.964 N/A