Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4o1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 ARG 221.A O no hydrogen 2.851 N/A GLU 4.A N HIS 2.A ND1 no hydrogen 2.967 N/A LEU 5.A N HIS 2.A O no hydrogen 3.000 N/A GLN 6.A N GLY 3.A O no hydrogen 2.959 N/A GLN 6.A NE2 GLY 3.A O no hydrogen 2.998 N/A GLN 6.A NE2 ARG 37.A O no hydrogen 2.810 N/A TYR 7.A OH MET 166.A O no hydrogen 2.643 N/A LEU 8.A N GLU 4.A O no hydrogen 3.006 N/A GLY 9.A N LEU 5.A O no hydrogen 2.827 N/A GLN 10.A N GLN 6.A O no hydrogen 2.891 N/A ILE 11.A N TYR 7.A O no hydrogen 2.948 N/A GLN 12.A N LEU 8.A O no hydrogen 3.001 N/A HIS 13.A N GLY 9.A O no hydrogen 3.008 N/A ILE 14.A N GLN 10.A O no hydrogen 3.032 N/A LEU 15.A N ILE 11.A O no hydrogen 2.952 N/A ARG 16.A N GLN 12.A O no hydrogen 2.909 N/A VAL 18.A N SER 30.A O no hydrogen 2.902 N/A ARG 19.A NH2 LYS 20.A O no hydrogen 2.956 N/A LYS 20.A N THR 28.A O no hydrogen 3.065 N/A THR 28.A N LYS 20.A O no hydrogen 2.971 N/A THR 28.A OG1 LYS 20.A O no hydrogen 3.235 N/A LEU 29.A N ILE 204.A O no hydrogen 2.880 N/A SER 30.A N VAL 18.A O no hydrogen 2.859 N/A SER 30.A OG ASP 201.A OD1 no hydrogen 2.970 N/A VAL 31.A N ALA 202.A O no hydrogen 2.986 N/A GLY 33.A N GLY 200.A O no hydrogen 2.718 N/A MET 34.A N LEU 199.A O no hydrogen 3.112 N/A GLN 35.A NE2 THR 198.A OG1 no hydrogen 3.077 N/A ALA 36.A N HIS 197.A O no hydrogen 2.928 N/A ARG 37.A N GLN 6.A OE1 no hydrogen 2.796 N/A ARG 37.A NH2 ASP 194.A OD2 no hydrogen 3.129 N/A TYR 38.A N PHE 195.A O no hydrogen 2.650 N/A LEU 40.A N GLY 193.A O no hydrogen 2.773 N/A ARG 41.A N SER 39.A OG no hydrogen 3.289 N/A ARG 41.A NE GLU 154.A OE1 no hydrogen 2.600 N/A ARG 41.A NH1 SER 39.A OG no hydrogen 3.352 N/A ARG 41.A NH1 ASP 194.A OD1 no hydrogen 2.835 N/A ARG 41.A NH2 GLU 154.A OE1 no hydrogen 3.183 N/A ARG 41.A NH2 ASP 194.A OD2 no hydrogen 3.099 N/A PHE 44.A N PRO 224.A O no hydrogen 2.855 N/A LEU 46.A N PHE 44.A O no hydrogen 2.788 N/A THR 48.A N GLU 4.A OE1 no hydrogen 3.215 N/A THR 48.A N GLU 4.A OE2 no hydrogen 2.698 N/A THR 48.A OG1 GLU 4.A OE2 no hydrogen 2.835 N/A THR 48.A OG1 ARG 221.A O no hydrogen 3.334 N/A THR 49.A N GLU 4.A OE1 no hydrogen 2.820 N/A THR 49.A OG1 GLU 4.A OE1 no hydrogen 2.540 N/A THR 49.A OG1 GLN 215.A OE1 no hydrogen 2.633 N/A LYS 50.A NZ GLY 167.A O no hydrogen 3.072 N/A VAL 52.A N TYR 248.A OH no hydrogen 3.104 N/A VAL 57.A N PHE 53.A O no hydrogen 3.203 N/A LEU 58.A N TRP 54.A O no hydrogen 3.049 N/A GLU 59.A N LYS 55.A O no hydrogen 2.966 N/A GLU 60.A N GLY 56.A O no hydrogen 2.956 N/A LEU 61.A N VAL 57.A O no hydrogen 2.994 N/A LEU 62.A N LEU 58.A O no hydrogen 3.053 N/A TRP 63.A N GLU 59.A O no hydrogen 3.037 N/A PHE 64.A N GLU 60.A O no hydrogen 2.790 N/A ILE 65.A N LEU 61.A O no hydrogen 2.851 N/A LYS 66.A N LEU 62.A O no hydrogen 3.004 N/A GLY 67.A N PHE 64.A O no hydrogen 2.919 N/A SER 68.A OG GLU 73.A OE2 no hydrogen 2.863 N/A THR 69.A OG1 TYR 97.A OH no hydrogen 2.803 N/A ASN 70.A N SER 68.A OG no hydrogen 3.265 N/A GLU 73.A N ASN 70.A O no hydrogen 3.268 N/A LEU 74.A N ALA 71.A O no hydrogen 3.229 N/A SER 75.A N ALA 71.A O no hydrogen 2.968 N/A SER 76.A N LYS 72.A O no hydrogen 3.292 N/A SER 76.A OG LYS 72.A O no hydrogen 3.059 N/A LYS 77.A N LEU 74.A O no hydrogen 3.386 N/A GLY 78.A N SER 75.A O no hydrogen 2.878 N/A LEU 82.A N THR 69.A O no hydrogen 3.043 N/A GLY 83.A N ASP 81.A OD1 no hydrogen 3.030 N/A VAL 85.A N GLY 83.A O no hydrogen 2.766 N/A GLN 89.A N VAL 85.A O no hydrogen 3.270 N/A GLN 89.A NE2 PRO 84.A O no hydrogen 3.032 N/A GLN 89.A NE2 TRP 132.A O no hydrogen 2.789 N/A TRP 90.A N TYR 86.A O no hydrogen 2.923 N/A ARG 91.A N GLY 87.A O no hydrogen 3.216 N/A ARG 91.A NE ASP 110.A OD1 no hydrogen 2.881 N/A ARG 91.A NE ASP 110.A OD2 no hydrogen 3.398 N/A ARG 91.A NH1 ILE 65.A O no hydrogen 2.638 N/A ARG 91.A NH1 ASP 236.A OD1 no hydrogen 2.823 N/A ARG 91.A NH2 ASP 110.A OD1 no hydrogen 3.546 N/A ARG 91.A NH2 ASP 110.A OD2 no hydrogen 2.771 N/A ARG 91.A NH2 ASP 236.A OD2 no hydrogen 3.412 N/A HIS 92.A N PHE 88.A O no hydrogen 2.692 N/A HIS 92.A ND1 GLN 107.A O no hydrogen 3.184 N/A PHE 93.A N VAL 109.A O no hydrogen 2.888 N/A ALA 95.A N HIS 92.A O no hydrogen 3.187 N/A TYR 97.A OH THR 69.A OG1 no hydrogen 2.803 N/A TYR 97.A OH ASP 81.A OD1 no hydrogen 2.844 N/A ARG 98.A N TYR 104.A OH no hydrogen 2.740 N/A TYR 104.A OH ASP 99.A O no hydrogen 2.869 N/A SER 105.A OG ASP 103.A OD1 no hydrogen 2.673 N/A GLN 107.A N TYR 104.A O no hydrogen 2.738 N/A VAL 109.A N PHE 93.A O no hydrogen 2.858 N/A GLN 111.A NE2 GLN 89.A O no hydrogen 2.846 N/A LEU 112.A N TRP 90.A O no hydrogen 3.182 N/A GLN 113.A N ASP 110.A OD1 no hydrogen 3.071 N/A GLN 113.A NE2 ASP 117.A OD1 no hydrogen 2.810 N/A ARG 114.A N ASP 110.A O no hydrogen 2.895 N/A VAL 115.A N GLN 111.A O no hydrogen 2.881 N/A ILE 116.A N LEU 112.A O no hydrogen 3.021 N/A ASP 117.A N GLN 113.A O no hydrogen 2.666 N/A THR 118.A N ARG 114.A O no hydrogen 3.012 N/A THR 118.A OG1 ARG 114.A O no hydrogen 2.642 N/A ILE 119.A N VAL 115.A O no hydrogen 3.103 N/A LYS 120.A N ILE 116.A O no hydrogen 3.208 N/A THR 121.A N ASP 117.A O no hydrogen 2.802 N/A THR 121.A OG1 ASP 117.A O no hydrogen 3.115 N/A ASN 122.A N THR 118.A O no hydrogen 2.629 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 3.310 N/A ASP 125.A N ASN 122.A O no hydrogen 2.929 N/A ARG 127.A N ASP 125.A OD1 no hydrogen 2.846 N/A ARG 127.A NE ASP 125.A OD1 no hydrogen 2.994 N/A ARG 127.A NH2 ASP 125.A OD2 no hydrogen 2.857 N/A TRP 132.A N GLN 89.A OE1 no hydrogen 2.564 N/A TRP 132.A NE1 PRO 143.A O no hydrogen 2.768 N/A ASP 136.A N ASN 133.A O no hydrogen 2.979 N/A LEU 137.A N PRO 134.A O no hydrogen 3.008 N/A LEU 139.A N ASP 136.A O no hydrogen 3.059 N/A HIS 145.A N ALA 131.A O no hydrogen 2.731 N/A ALA 146.A N ALA 131.A O no hydrogen 3.122 N/A LEU 147.A N TYR 160.A O no hydrogen 2.925 N/A PHE 149.A N ILE 128.A O no hydrogen 2.764 N/A VAL 151.A N GLU 154.A O no hydrogen 2.783 N/A GLU 154.A N VAL 151.A O no hydrogen 3.145 N/A LEU 155.A N LYS 191.A O no hydrogen 2.734 N/A CYS 157.A N ASP 194.A O no hydrogen 2.967 N/A GLN 158.A N GLN 148.A O no hydrogen 2.770 N/A GLN 158.A NE2 THR 198.A OG1 no hydrogen 2.598 N/A LEU 159.A N ILE 196.A O no hydrogen 2.912 N/A TYR 160.A N LEU 147.A O no hydrogen 2.762 N/A GLN 161.A N THR 198.A O no hydrogen 2.978 N/A GLN 161.A NE2 ASN 173.A OD1 no hydrogen 3.400 N/A ARG 162.A N HIS 145.A O no hydrogen 3.063 N/A ARG 162.A NH1 ASP 136.A OD2 no hydrogen 2.581 N/A ARG 162.A NH2 ASP 136.A OD2 no hydrogen 3.351 N/A ARG 162.A NH2 PRO 144.A O no hydrogen 3.134 N/A GLY 164.A N ASP 201.A O no hydrogen 2.659 N/A MET 166.A N HIS 203.A O no hydrogen 2.778 N/A GLY 167.A N ASP 165.A OD1 no hydrogen 3.262 N/A LEU 168.A N ASP 165.A OD1 no hydrogen 3.489 N/A VAL 170.A N ASP 165.A O no hydrogen 2.888 N/A ASN 173.A N GLY 169.A O no hydrogen 2.903 N/A ILE 174.A N VAL 170.A O no hydrogen 2.779 N/A ALA 175.A N PRO 171.A O no hydrogen 3.265 N/A SER 176.A N PHE 172.A O no hydrogen 2.932 N/A SER 176.A OG PHE 172.A O no hydrogen 2.608 N/A TYR 177.A N ASN 173.A O no hydrogen 3.015 N/A ALA 178.A N ILE 174.A O no hydrogen 2.993 N/A LEU 179.A N ALA 175.A O no hydrogen 2.922 N/A LEU 180.A N SER 176.A O no hydrogen 2.937 N/A THR 181.A N TYR 177.A O no hydrogen 2.963 N/A THR 181.A OG1 TYR 177.A O no hydrogen 2.773 N/A TYR 182.A N ALA 178.A O no hydrogen 3.061 N/A TYR 182.A OH LEU 40.A O no hydrogen 2.691 N/A TYR 182.A OH GLU 43.A O no hydrogen 2.762 N/A MET 183.A N LEU 179.A O no hydrogen 2.947 N/A ILE 184.A N LEU 180.A O no hydrogen 2.926 N/A ALA 185.A N THR 181.A O no hydrogen 2.870 N/A HIS 186.A N TYR 182.A O no hydrogen 2.895 N/A ILE 187.A N MET 183.A O no hydrogen 3.071 N/A THR 188.A N ILE 184.A O no hydrogen 2.976 N/A THR 188.A OG1 ILE 184.A O no hydrogen 2.757 N/A THR 188.A OG1 ALA 185.A O no hydrogen 3.430 N/A GLY 189.A N HIS 186.A O no hydrogen 3.259 N/A LEU 190.A N ALA 185.A O no hydrogen 2.839 N/A LYS 191.A N SER 153.A O no hydrogen 2.852 N/A GLY 193.A N LEU 155.A O no hydrogen 2.673 N/A ASP 194.A N SER 156.A OG no hydrogen 3.039 N/A PHE 195.A N TYR 38.A O no hydrogen 2.797 N/A ILE 196.A N CYS 157.A O no hydrogen 2.839 N/A HIS 197.A N ALA 36.A O no hydrogen 2.839 N/A HIS 197.A NE2 GLN 161.A OE1 no hydrogen 2.832 N/A THR 198.A N LEU 159.A O no hydrogen 2.911 N/A LEU 199.A N MET 34.A O no hydrogen 2.864 N/A GLY 200.A N GLN 161.A O no hydrogen 2.976 N/A ASP 201.A N ARG 162.A O no hydrogen 2.963 N/A ALA 202.A N VAL 31.A O no hydrogen 2.884 N/A HIS 203.A N GLY 164.A O no hydrogen 2.936 N/A HIS 203.A ND1 ASP 201.A OD2 no hydrogen 2.383 N/A ILE 204.A N LEU 29.A O no hydrogen 2.942 N/A TYR 205.A OH ASP 22.A OD2 no hydrogen 3.337 N/A LEU 206.A N GLY 27.A O no hydrogen 3.041 N/A HIS 208.A N TYR 205.A O no hydrogen 2.993 N/A ILE 209.A N LEU 206.A O no hydrogen 3.229 N/A LEU 212.A N HIS 208.A O no hydrogen 3.083 N/A LYS 213.A N ILE 209.A O no hydrogen 2.888 N/A ILE 214.A N GLU 210.A O no hydrogen 3.313 N/A GLN 215.A N PRO 211.A O no hydrogen 2.832 N/A LEU 216.A N LEU 212.A O no hydrogen 2.734 N/A GLN 217.A N ILE 214.A O no hydrogen 3.007 N/A ARG 218.A N GLN 215.A O no hydrogen 3.068 N/A ARG 218.A NH2 THR 49.A O no hydrogen 2.858 N/A ARG 218.A NH2 PRO 252.A O no hydrogen 2.851 N/A ARG 221.A N THR 48.A OG1 no hydrogen 2.882 N/A ARG 221.A NH2 ASN 249.A O no hydrogen 2.770 N/A LYS 225.A N GLU 246.A O no hydrogen 2.886 N/A LYS 225.A NZ ASP 42.A O no hydrogen 3.168 N/A ARG 227.A N GLN 244.A O no hydrogen 2.788 N/A LEU 229.A N ASP 242.A O no hydrogen 2.679 N/A ARG 230.A NE ASP 242.A OD1 no hydrogen 2.745 N/A ARG 230.A NH2 ASP 237.A O no hydrogen 2.932 N/A ARG 230.A NH2 ASP 242.A OD1 no hydrogen 3.364 N/A ARG 230.A NH2 ASP 242.A OD2 no hydrogen 2.768 N/A VAL 232.A N HIS 186.A NE2 no hydrogen 3.134 N/A ASP 237.A N LYS 234.A O no hydrogen 2.807 N/A LYS 239.A N ASP 242.A OD2 no hydrogen 2.778 N/A LYS 239.A NZ ASP 237.A O no hydrogen 3.140 N/A ASP 242.A N LYS 239.A O no hydrogen 2.950 N/A PHE 243.A N ALA 240.A O no hydrogen 3.141 N/A GLN 244.A N ARG 227.A O no hydrogen 2.879 N/A GLU 246.A N LYS 225.A O no hydrogen 2.875 N/A TYR 248.A OH LEU 47.A O no hydrogen 2.588 N/A HIS 251.A N THR 48.A O no hydrogen 2.745 N/A HIS 251.A NE2 GLU 219.A O no hydrogen 2.816 N/A