Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bxo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ASP 185.A OD2 no hydrogen 2.797 N/A ASP 7.A N ASP 4.A OD1 no hydrogen 2.917 N/A VAL 8.A N ASP 4.A O no hydrogen 2.924 N/A TYR 9.A N HIS 5.A O no hydrogen 2.650 N/A TYR 9.A OH ASP 195.A OD2 no hydrogen 2.520 N/A ASP 10.A N ALA 6.A O no hydrogen 2.703 N/A LEU 11.A N ASP 7.A O no hydrogen 2.891 N/A PHE 12.A N VAL 8.A O no hydrogen 2.956 N/A TYR 13.A N TYR 9.A O no hydrogen 3.129 N/A LEU 14.A N ASP 10.A O no hydrogen 3.140 N/A GLY 15.A N LEU 11.A O no hydrogen 2.804 N/A ARG 16.A N PHE 12.A O no hydrogen 2.539 N/A ARG 16.A NH2 ASP 153.A OD2 no hydrogen 3.230 N/A GLY 17.A N LEU 14.A O no hydrogen 2.905 N/A LYS 18.A N TYR 13.A O no hydrogen 2.799 N/A LYS 18.A NZ GLU 23.A OE1 no hydrogen 3.299 N/A LYS 18.A NZ GLU 23.A OE2 no hydrogen 2.795 N/A ALA 22.A N ASP 19.A OD1 no hydrogen 2.795 N/A GLU 23.A N ASP 19.A O no hydrogen 2.878 N/A ALA 24.A N TYR 20.A O no hydrogen 2.628 N/A SER 25.A N ALA 21.A O no hydrogen 2.842 N/A ASP 26.A N ALA 22.A O no hydrogen 2.978 N/A ILE 27.A N GLU 23.A O no hydrogen 3.064 N/A ALA 28.A N ALA 24.A O no hydrogen 2.973 N/A ASP 29.A N SER 25.A O no hydrogen 3.004 N/A LEU 30.A N ASP 26.A O no hydrogen 2.893 N/A VAL 31.A N ILE 27.A O no hydrogen 2.545 N/A ARG 32.A N.A ALA 28.A O no hydrogen 2.780 N/A ARG 32.A N.B ALA 28.A O no hydrogen 2.792 N/A ARG 32.A NH1.A ASP 29.A OD1 no hydrogen 3.441 N/A ARG 32.A NH2.B GLU 58.A O no hydrogen 3.085 N/A ARG 32.A NH2.B GLU 58.A OE1 no hydrogen 2.948 N/A SER 33.A N ASP 29.A O no hydrogen 2.727 N/A SER 33.A OG LEU 30.A O no hydrogen 2.562 N/A ARG 34.A N VAL 31.A O no hydrogen 3.149 N/A ARG 34.A NH1 SER 33.A OG no hydrogen 2.916 N/A THR 35.A N VAL 31.A O no hydrogen 2.910 N/A THR 35.A OG1 GLY 131.A O no hydrogen 2.641 N/A ALA 38.A N THR 35.A O no hydrogen 2.963 N/A SER 39.A N SER 99.A OG no hydrogen 2.986 N/A SER 40.A OG SER 99.A OG no hydrogen 3.401 N/A LEU 41.A N ASP 61.A O no hydrogen 2.949 N/A LEU 42.A N ALA 100.A O no hydrogen 2.783 N/A ASP 43.A N ALA 63.A O no hydrogen 2.995 N/A VAL 44.A N VAL 102.A O no hydrogen 2.867 N/A CYS 46.A N LEU 65.A O no hydrogen 3.074 N/A CYS 46.A SG GLY 47.A O no hydrogen 3.861 N/A CYS 46.A SG LEU 65.A O no hydrogen 3.816 N/A GLY 47.A N GLU 66.A OE1 no hydrogen 2.783 N/A THR 48.A OG1 ASP 10.A OD1 no hydrogen 2.891 N/A THR 48.A OG1 ASP 10.A OD2 no hydrogen 3.286 N/A GLY 49.A N CYS 46.A O no hydrogen 2.888 N/A HIS 51.A NE2 GLU 23.A OE1 no hydrogen 2.805 N/A GLU 53.A N GLY 49.A O no hydrogen 2.766 N/A PHE 55.A N HIS 51.A O no hydrogen 2.771 N/A THR 56.A N LEU 52.A O no hydrogen 2.734 N/A THR 56.A OG1 LEU 52.A O no hydrogen 2.952 N/A THR 56.A OG1 THR 62.A OG1 no hydrogen 2.470 N/A LYS 57.A N GLU 53.A O no hydrogen 3.205 N/A GLU 58.A N HIS 54.A O no hydrogen 2.852 N/A PHE 59.A N PHE 55.A O no hydrogen 2.897 N/A GLY 60.A N THR 56.A O no hydrogen 2.656 N/A ASP 61.A N PHE 59.A O no hydrogen 2.713 N/A THR 62.A OG1 THR 56.A OG1 no hydrogen 2.470 N/A ALA 63.A N LEU 41.A O no hydrogen 3.064 N/A GLY 64.A N THR 83.A O no hydrogen 2.798 N/A LEU 65.A N ASP 43.A O no hydrogen 2.947 N/A GLU 66.A N HIS 85.A O no hydrogen 2.998 N/A SER 68.A N GLU 66.A OE2 no hydrogen 3.075 N/A MET 71.A N SER 68.A OG no hydrogen 2.786 N/A LEU 72.A N SER 68.A O no hydrogen 3.001 N/A THR 73.A N GLU 69.A O no hydrogen 2.752 N/A THR 73.A OG1 GLU 69.A O no hydrogen 2.957 N/A HIS 74.A N ASP 70.A O no hydrogen 3.182 N/A HIS 74.A ND1 ASP 70.A O no hydrogen 2.668 N/A HIS 74.A NE2 ASP 4.A OD1 no hydrogen 2.828 N/A HIS 74.A NE2 ASP 4.A OD2 no hydrogen 3.000 N/A ALA 75.A N MET 71.A O no hydrogen 2.841 N/A ARG 76.A N LEU 72.A O no hydrogen 2.869 N/A LYS 77.A N THR 73.A O no hydrogen 2.987 N/A ARG 78.A N HIS 74.A O no hydrogen 2.980 N/A ARG 78.A NE THR 48.A O no hydrogen 2.629 N/A ARG 78.A NH2 THR 48.A O no hydrogen 3.410 N/A ARG 78.A NH2 THR 48.A OG1 no hydrogen 2.756 N/A LEU 79.A N ALA 75.A O no hydrogen 2.708 N/A ALA 82.A N LEU 79.A O no hydrogen 3.140 N/A HIS 85.A N GLY 64.A O no hydrogen 2.589 N/A GLN 86.A NE2 LEU 67.A O no hydrogen 2.570 N/A GLY 87.A N GLU 66.A O no hydrogen 2.977 N/A ARG 90.A N ASP 88.A OD1 no hydrogen 3.006 N/A ASP 91.A N ASP 88.A O no hydrogen 3.038 N/A PHE 92.A N ASP 88.A O no hydrogen 3.145 N/A LEU 94.A N HIS 127.A NE2 no hydrogen 2.984 N/A ARG 96.A NE LYS 97.A O no hydrogen 2.774 N/A ARG 96.A NH1 ASP 61.A OD1 no hydrogen 2.877 N/A ARG 96.A NH1 ASP 61.A OD2 no hydrogen 3.261 N/A ARG 96.A NH2 ASP 61.A OD2 no hydrogen 3.012 N/A ARG 96.A NH2 LYS 97.A O no hydrogen 2.860 N/A LYS 97.A NZ LEU 128.A O no hydrogen 3.308 N/A PHE 98.A N HIS 127.A O no hydrogen 2.638 N/A SER 99.A N SER 40.A OG no hydrogen 2.954 N/A SER 99.A OG SER 40.A OG no hydrogen 3.401 N/A SER 99.A OG GLU 129.A OE1 no hydrogen 2.958 N/A ALA 100.A N SER 40.A O no hydrogen 3.109 N/A VAL 101.A N VAL 133.A O no hydrogen 3.203 N/A VAL 102.A N LEU 42.A O no hydrogen 2.833 N/A SER 103.A N VAL 135.A O no hydrogen 2.948 N/A SER 103.A OG VAL 44.A O no hydrogen 3.232 N/A PHE 105.A N GLU 137.A OE1 no hydrogen 2.696 N/A SER 106.A OG PRO 138.A O no hydrogen 2.886 N/A SER 107.A OG MET 104.A O no hydrogen 2.921 N/A GLY 109.A N SER 106.A O no hydrogen 3.071 N/A TYR 110.A N SER 107.A O no hydrogen 2.953 N/A TYR 110.A OH HIS 197.A ND1 no hydrogen 3.234 N/A LEU 111.A N VAL 108.A O no hydrogen 3.023 N/A LYS 112.A N GLU 116.A OE1 no hydrogen 2.704 N/A THR 113.A OG1 GLU 115.A OE1 no hydrogen 3.330 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.954 N/A GLU 116.A N THR 113.A O no hydrogen 2.945 N/A GLU 116.A N THR 113.A OG1 no hydrogen 3.126 N/A LEU 117.A N THR 113.A O no hydrogen 2.997 N/A GLY 118.A N THR 114.A O no hydrogen 2.810 N/A ALA 119.A N GLU 115.A O no hydrogen 3.084 N/A ALA 120.A N GLU 116.A O no hydrogen 2.870 N/A VAL 121.A N LEU 117.A O no hydrogen 2.806 N/A ALA 122.A N GLY 118.A O no hydrogen 2.829 N/A SER 123.A N ALA 119.A O no hydrogen 3.008 N/A SER 123.A OG MET 89.A O no hydrogen 3.546 N/A SER 123.A OG ARG 90.A O no hydrogen 3.031 N/A SER 123.A OG ALA 119.A O no hydrogen 2.976 N/A PHE 124.A N ALA 120.A O no hydrogen 3.048 N/A ALA 125.A N VAL 121.A O no hydrogen 2.880 N/A GLU 126.A N ALA 122.A O no hydrogen 2.701 N/A HIS 127.A N PHE 124.A O no hydrogen 2.919 N/A HIS 127.A ND1 SER 123.A O no hydrogen 2.630 N/A LEU 128.A N ALA 125.A O no hydrogen 3.001 N/A GLU 129.A N PHE 98.A O no hydrogen 2.779 N/A GLY 132.A N GLU 129.A O no hydrogen 2.849 N/A VAL 133.A N SER 99.A O no hydrogen 3.060 N/A VAL 134.A N GLY 233.A O no hydrogen 2.737 N/A VAL 135.A N VAL 101.A O no hydrogen 3.046 N/A VAL 136.A N PHE 231.A O no hydrogen 2.823 N/A GLU 137.A N SER 103.A O no hydrogen 2.854 N/A TRP 139.A N TYR 207.A OH no hydrogen 3.281 N/A TRP 139.A NE1 THR 175.A OG1 no hydrogen 2.927 N/A PHE 141.A N THR 144.A OG1 no hydrogen 2.921 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.698 N/A THR 144.A N PHE 141.A O no hydrogen 2.798 N/A THR 144.A OG1 PHE 141.A O no hydrogen 3.180 N/A TRP 149.A NE1 SER 151.A OG no hydrogen 3.172 N/A SER 151.A N SER 166.A O no hydrogen 2.845 N/A ASP 153.A N ARG 164.A O no hydrogen 2.709 N/A VAL 155.A N VAL 162.A O no hydrogen 2.853 N/A ARG 157.A N ARG 160.A O no hydrogen 2.851 N/A ARG 160.A N ARG 157.A O no hydrogen 2.945 N/A ARG 160.A NE ASP 185.A OD1 no hydrogen 2.811 N/A ARG 160.A NE ASP 185.A OD2 no hydrogen 3.262 N/A ARG 160.A NH2 ASP 185.A OD2 no hydrogen 2.858 N/A THR 161.A N ALA 184.A O no hydrogen 2.937 N/A VAL 162.A N VAL 155.A O no hydrogen 2.639 N/A ALA 163.A N THR 182.A O no hydrogen 2.630 N/A ARG 164.A N ASP 153.A O no hydrogen 2.756 N/A VAL 165.A N HIS 180.A O no hydrogen 3.113 N/A SER 166.A N SER 151.A O no hydrogen 2.775 N/A HIS 167.A N GLU 178.A O no hydrogen 2.919 N/A SER 168.A N TRP 149.A O no hydrogen 2.909 N/A VAL 169.A N ARG 176.A O no hydrogen 3.195 N/A ARG 170.A N ASP 147.A OD1 no hydrogen 2.587 N/A ARG 170.A NE GLY 172.A O no hydrogen 2.613 N/A ARG 170.A NH2 GLY 172.A O no hydrogen 3.569 N/A GLU 171.A N.A ALA 174.A O no hydrogen 2.717 N/A GLU 171.A N.B ALA 174.A O no hydrogen 2.750 N/A ALA 174.A N GLU 171.A O.A no hydrogen 2.915 N/A ALA 174.A N GLU 171.A O.B no hydrogen 3.169 N/A THR 175.A N ILE 199.A O no hydrogen 2.690 N/A ARG 176.A N VAL 169.A O no hydrogen 2.890 N/A ARG 176.A NH1 GLU 178.A OE1 no hydrogen 2.959 N/A MET 177.A N HIS 197.A O no hydrogen 2.899 N/A GLU 178.A N HIS 167.A O no hydrogen 2.949 N/A VAL 179.A N ASP 195.A O no hydrogen 2.844 N/A HIS 180.A N VAL 165.A O no hydrogen 2.945 N/A HIS 180.A ND1 HIS 192.A NE2 no hydrogen 2.834 N/A HIS 180.A NE2 GLU 178.A OE2 no hydrogen 2.642 N/A PHE 181.A N PHE 193.A O no hydrogen 2.603 N/A THR 182.A N ALA 163.A O no hydrogen 2.791 N/A VAL 183.A N ARG 191.A O no hydrogen 2.671 N/A ALA 184.A N THR 161.A O no hydrogen 2.879 N/A ASP 185.A N GLY 189.A O no hydrogen 2.791 N/A LYS 188.A N ASP 185.A O no hydrogen 2.665 N/A GLY 189.A N ASP 185.A O no hydrogen 2.961 N/A ARG 191.A N VAL 183.A O no hydrogen 2.712 N/A ARG 191.A NH1 TYR 1.A O no hydrogen 3.006 N/A HIS 192.A NE2 HIS 180.A ND1 no hydrogen 2.834 N/A PHE 193.A N PHE 181.A O no hydrogen 2.907 N/A ASP 195.A N VAL 179.A O no hydrogen 2.821 N/A HIS 197.A N MET 177.A O no hydrogen 2.869 N/A ILE 199.A N THR 175.A O no hydrogen 2.816 N/A THR 200.A N GLY 109.A O no hydrogen 2.830 N/A THR 200.A OG1 GLY 109.A O no hydrogen 3.239 N/A THR 200.A OG1 LEU 111.A O no hydrogen 2.574 N/A LEU 201.A N ASN 173.A O no hydrogen 2.771 N/A HIS 203.A N GLU 206.A OE1 no hydrogen 2.776 N/A HIS 203.A ND1 GLU 143.A OE2 no hydrogen 2.722 N/A GLN 204.A NE2 GLU 208.A OE2 no hydrogen 2.981 N/A GLU 206.A N HIS 203.A O no hydrogen 2.789 N/A TYR 207.A N HIS 203.A O no hydrogen 3.161 N/A GLU 208.A N GLN 204.A O no hydrogen 2.802 N/A ALA 209.A N ALA 205.A O no hydrogen 2.882 N/A ALA 210.A N GLU 206.A O no hydrogen 3.101 N/A PHE 211.A N TYR 207.A O no hydrogen 3.236 N/A THR 212.A N GLU 208.A O no hydrogen 2.802 N/A THR 212.A OG1 GLU 208.A O no hydrogen 3.296 N/A ALA 213.A N ALA 209.A O no hydrogen 2.797 N/A ALA 214.A N ALA 210.A O no hydrogen 3.281 N/A ALA 214.A N PHE 211.A O no hydrogen 3.062 N/A GLY 215.A N THR 212.A O no hydrogen 2.871 N/A LEU 216.A N PHE 211.A O no hydrogen 2.901 N/A ARG 217.A N VAL 234.A O no hydrogen 2.640 N/A GLU 219.A N VAL 232.A O no hydrogen 2.941 N/A TYR 220.A OH ARG 228.A O no hydrogen 2.728 N/A LEU 221.A N LEU 230.A O no hydrogen 2.653 N/A SER 226.A OG GLU 137.A OE2 no hydrogen 2.516 N/A GLY 227.A N GLY 224.A O no hydrogen 3.335 N/A ARG 228.A NH1 SER 106.A OG no hydrogen 2.810 N/A GLY 229.A N GLY 223.A O no hydrogen 2.679 N/A LEU 230.A N LEU 221.A O no hydrogen 2.576 N/A PHE 231.A N VAL 136.A O no hydrogen 2.863 N/A VAL 232.A N GLU 219.A O no hydrogen 2.928 N/A GLY 233.A N VAL 134.A O no hydrogen 2.661 N/A VAL 234.A N ARG 217.A O no hydrogen 2.968 N/A ALA 236.A N GLY 215.A O no hydrogen 2.821 N/A