Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6k3n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 133.A OE2 no hydrogen 2.740 N/A ASN 4.A ND2 ASP 170.A OD1.B no hydrogen 3.313 N/A ASN 4.A ND2 ASP 170.A OD2.A no hydrogen 2.896 N/A VAL 7.A N ASN 4.A OD1 no hydrogen 3.195 N/A SER 8.A N ASN 4.A O no hydrogen 3.058 N/A SER 8.A OG ASN 4.A O no hydrogen 3.526 N/A HIS 9.A N LYS 5.A O no hydrogen 2.836 N/A HIS 9.A NE2 HIS 54.A O no hydrogen 2.963 N/A LEU 10.A N ILE 6.A O no hydrogen 2.823 N/A LEU 11.A N VAL 7.A O no hydrogen 2.941 N/A VAL 12.A N SER 8.A O no hydrogen 3.149 N/A VAL 12.A N HIS 9.A O no hydrogen 3.063 N/A ALA 13.A N HIS 9.A O no hydrogen 3.020 N/A ALA 13.A N LEU 10.A O no hydrogen 3.172 N/A GLU 14.A N LEU 11.A O no hydrogen 3.206 N/A LYS 17.A NZ ASP 97.A OD1 no hydrogen 3.263 N/A ALA 20.A N ASP 98.A OD1 no hydrogen 2.870 N/A MET 21.A N ASP 98.A OD2 no hydrogen 2.627 N/A THR 25.A N ASP 23.A OD1 no hydrogen 2.767 N/A THR 25.A OG1 ASP 23.A OD1 no hydrogen 2.764 N/A VAL 26.A N ASP 23.A O no hydrogen 3.080 N/A ILE 31.A N SER 29.A OG no hydrogen 3.124 N/A LYS 32.A N SER 29.A OG no hydrogen 3.143 N/A LYS 32.A NZ ASP 23.A O no hydrogen 2.875 N/A LYS 32.A NZ VAL 26.A O no hydrogen 2.851 N/A LYS 32.A NZ ASP 28.A OD1 no hydrogen 3.177 N/A ALA 33.A N SER 29.A O no hydrogen 3.004 N/A LEU 34.A N ASP 30.A O no hydrogen 2.920 N/A THR 35.A N ILE 31.A O no hydrogen 2.721 N/A THR 35.A OG1 ILE 31.A O no hydrogen 2.693 N/A THR 36.A N LYS 32.A O no hydrogen 2.848 N/A THR 36.A OG1 LYS 32.A O no hydrogen 2.657 N/A LEU 37.A N ALA 33.A O no hydrogen 2.824 N/A CYS 38.A N LEU 34.A O no hydrogen 3.052 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.309 N/A ASP 39.A N THR 35.A O no hydrogen 2.753 N/A LEU 40.A N THR 36.A O no hydrogen 2.930 N/A ALA 41.A N LEU 37.A O no hydrogen 2.939 N/A ASP 42.A N CYS 38.A O no hydrogen 2.952 N/A ARG 43.A N ASP 39.A O no hydrogen 3.206 N/A ARG 43.A NE ASP 39.A OD1 no hydrogen 2.717 N/A ARG 43.A NH1 TYR 19.A O no hydrogen 2.637 N/A ARG 43.A NH2 TYR 19.A O no hydrogen 3.163 N/A ARG 43.A NH2 ASP 39.A OD1 no hydrogen 2.769 N/A GLU 44.A N LEU 40.A O no hydrogen 2.784 N/A LEU 45.A N ALA 41.A O no hydrogen 2.772 N/A VAL 46.A N ASP 42.A O no hydrogen 3.456 N/A VAL 47.A N ARG 43.A O no hydrogen 3.353 N/A ILE 48.A N GLU 44.A O no hydrogen 2.797 N/A ILE 49.A N LEU 45.A O no hydrogen 2.996 N/A GLY 50.A N VAL 46.A O no hydrogen 3.125 N/A TRP 51.A N VAL 47.A O no hydrogen 2.920 N/A ALA 52.A N ILE 48.A O no hydrogen 2.905 N/A LYS 53.A NZ GLY 50.A O no hydrogen 2.670 N/A HIS 54.A N TRP 51.A O no hydrogen 2.897 N/A ILE 55.A N ALA 52.A O no hydrogen 2.884 N/A PHE 58.A N ILE 55.A O no hydrogen 3.066 N/A THR 60.A N GLY 57.A O no hydrogen 2.999 N/A LEU 61.A N PHE 58.A O no hydrogen 3.002 N/A SER 62.A OG GLU 152.A OE2 no hydrogen 2.800 N/A ASP 65.A N SER 62.A OG no hydrogen 3.078 N/A GLN 66.A N SER 62.A O no hydrogen 2.705 N/A GLN 66.A NE2 LEU 61.A O no hydrogen 2.798 N/A MET 67.A N LEU 63.A O no hydrogen 2.801 N/A SER 68.A N ALA 64.A O no hydrogen 2.783 N/A SER 68.A OG ALA 64.A O no hydrogen 3.134 N/A LEU 69.A N ASP 65.A O no hydrogen 2.946 N/A LEU 70.A N GLN 66.A O no hydrogen 3.055 N/A GLN 71.A N MET 67.A O no hydrogen 2.751 N/A SER 72.A N SER 68.A O no hydrogen 3.058 N/A SER 72.A OG SER 68.A O no hydrogen 3.394 N/A ALA 73.A N LEU 69.A O no hydrogen 2.826 N/A TRP 74.A N LEU 70.A O no hydrogen 2.900 N/A ILE 77.A N ALA 73.A O no hydrogen 3.028 N/A LEU 78.A N TRP 74.A O no hydrogen 3.033 N/A ILE 79.A N MET 75.A O no hydrogen 3.019 N/A LEU 80.A N GLU 76.A O no hydrogen 3.000 N/A GLY 81.A N ILE 77.A O no hydrogen 3.057 N/A VAL 82.A N LEU 78.A O no hydrogen 3.191 N/A VAL 83.A N ILE 79.A O no hydrogen 2.893 N/A TYR 84.A N LEU 80.A O no hydrogen 2.890 N/A ARG 85.A N GLY 81.A O no hydrogen 2.922 N/A ARG 85.A NE VAL 94.A O no hydrogen 2.748 N/A SER 86.A N VAL 83.A O no hydrogen 2.974 N/A SER 86.A OG VAL 82.A O no hydrogen 2.639 N/A LEU 87.A N TYR 84.A O no hydrogen 3.270 N/A PHE 89.A N SER 86.A O no hydrogen 3.034 N/A LEU 93.A N MET 101.A O no hydrogen 3.012 N/A VAL 94.A N SER 86.A OG no hydrogen 2.773 N/A TYR 95.A N LEU 93.A O no hydrogen 2.959 N/A TYR 95.A OH ASN 115.A OD1 no hydrogen 2.594 N/A ALA 96.A N TYR 99.A O no hydrogen 3.179 N/A TYR 99.A N ALA 96.A O no hydrogen 2.853 N/A MET 101.A N LEU 93.A O no hydrogen 2.964 N/A ASP 102.A N GLN 105.A OE1 no hydrogen 3.321 N/A GLN 105.A N ASP 102.A OD1 no hydrogen 2.858 N/A SER 106.A N ASP 102.A O no hydrogen 2.824 N/A SER 106.A OG ASP 102.A O no hydrogen 3.283 N/A LYS 107.A N GLU 103.A O no hydrogen 2.898 N/A LEU 108.A N ASP 104.A O no hydrogen 3.147 N/A ALA 109.A N GLN 105.A O no hydrogen 2.997 N/A ALA 109.A N SER 106.A O no hydrogen 3.080 N/A GLY 110.A N LYS 107.A O no hydrogen 2.985 N/A LEU 111.A N SER 106.A O no hydrogen 2.915 N/A ASN 115.A N LEU 111.A O no hydrogen 2.804 N/A ASN 115.A ND2 SER 106.A OG no hydrogen 2.725 N/A ASN 116.A N LEU 112.A O no hydrogen 2.926 N/A ALA 117.A N ASP 113.A O no hydrogen 2.968 N/A ILE 118.A N LEU 114.A O no hydrogen 2.874 N/A LEU 119.A N ASN 115.A O no hydrogen 2.792 N/A GLN 120.A N ASN 116.A O no hydrogen 3.088 N/A LEU 121.A N ALA 117.A O no hydrogen 3.159 N/A VAL 122.A N ILE 118.A O no hydrogen 3.069 N/A LYS 123.A N LEU 119.A O no hydrogen 2.874 N/A LYS 124.A N GLN 120.A O no hydrogen 3.109 N/A TYR 125.A N LEU 121.A O no hydrogen 3.053 N/A TYR 125.A OH THR 189.A OG1 no hydrogen 2.723 N/A LYS 126.A N VAL 122.A O no hydrogen 2.684 N/A LYS 126.A NZ PHE 89.A O no hydrogen 2.551 N/A SER 127.A N LYS 123.A O no hydrogen 3.101 N/A SER 127.A OG LYS 123.A O no hydrogen 3.194 N/A MET 128.A N LYS 124.A O no hydrogen 3.012 N/A LYS 129.A N LYS 126.A O no hydrogen 3.121 N/A LEU 130.A N TYR 125.A O no hydrogen 2.981 N/A GLU 131.A N GLU 134.A OE1 no hydrogen 2.771 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.668 N/A PHE 135.A N GLU 131.A O no hydrogen 2.952 N/A VAL 136.A N LYS 132.A O no hydrogen 2.888 N/A THR 137.A OG1 GLU 133.A O no hydrogen 2.758 N/A LEU 138.A N GLU 134.A O no hydrogen 2.837 N/A LYS 139.A N PHE 135.A O no hydrogen 2.911 N/A LYS 139.A NZ GLU 14.A OE1 no hydrogen 2.614 N/A LYS 139.A NZ GLU 14.A OE2 no hydrogen 2.943 N/A ALA 140.A N VAL 136.A O no hydrogen 3.086 N/A ILE 141.A N THR 137.A O no hydrogen 2.781 N/A ALA 142.A N LEU 138.A O no hydrogen 2.821 N/A LEU 143.A N LYS 139.A O no hydrogen 3.010 N/A ALA 144.A N ALA 140.A O no hydrogen 3.012 N/A ASN 145.A N ILE 141.A O no hydrogen 2.672 N/A SER 146.A OG LEU 69.A O no hydrogen 3.320 N/A SER 146.A OG LEU 143.A O no hydrogen 3.209 N/A HIS 150.A N SER 148.A OG no hydrogen 3.178 N/A GLU 152.A N ASP 65.A OD1 no hydrogen 2.633 N/A ASP 153.A N ASP 65.A OD2 no hydrogen 2.869 N/A ALA 156.A N ASP 153.A OD1 no hydrogen 3.011 N/A VAL 157.A N ASP 153.A O no hydrogen 3.183 N/A GLN 158.A N VAL 154.A O no hydrogen 2.878 N/A GLN 158.A NE2.A GLN 158.A O no hydrogen 2.808 N/A LYS 159.A N GLU 155.A O no hydrogen 2.860 N/A LEU 160.A N ALA 156.A O no hydrogen 2.987 N/A GLN 161.A N VAL 157.A O no hydrogen 2.970 N/A GLN 161.A NE2 ALA 144.A O no hydrogen 2.878 N/A ASP 162.A N GLN 158.A O no hydrogen 2.995 N/A VAL 163.A N LYS 159.A O no hydrogen 2.807 N/A LEU 164.A N LEU 160.A O no hydrogen 3.055 N/A HIS 165.A N GLN 161.A O no hydrogen 2.806 N/A GLU 166.A N ASP 162.A O no hydrogen 2.824 N/A ALA 167.A N VAL 163.A O no hydrogen 3.074 N/A LEU 168.A N LEU 164.A O no hydrogen 2.994 N/A GLN 169.A N HIS 165.A O no hydrogen 2.844 N/A ASP 170.A N GLU 166.A O no hydrogen 2.816 N/A TYR 171.A N ALA 167.A O no hydrogen 2.902 N/A TYR 171.A OH GLU 131.A OE1 no hydrogen 2.726 N/A GLU 172.A N LEU 168.A O no hydrogen 2.885 N/A ALA 173.A N GLN 169.A O no hydrogen 2.827 N/A GLY 174.A N ASP 170.A O no hydrogen 2.982 N/A GLN 175.A N TYR 171.A O no hydrogen 2.782 N/A HIS 176.A N GLU 172.A O no hydrogen 2.839 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.687 N/A ASP 179.A N HIS 176.A O no hydrogen 2.930 N/A ARG 181.A N ASP 179.A OD1 no hydrogen 2.824 N/A ARG 182.A N ASP 179.A O no hydrogen 3.058 N/A ARG 182.A NE GLU 134.A OE2 no hydrogen 2.730 N/A ARG 182.A NH1 MET 128.A O no hydrogen 2.768 N/A ARG 182.A NH2 MET 128.A O no hydrogen 2.704 N/A ARG 182.A NH2 LYS 129.A O no hydrogen 3.170 N/A ARG 182.A NH2 GLU 134.A OE1 no hydrogen 2.940 N/A ARG 182.A NH2 GLU 134.A OE2 no hydrogen 3.260 N/A LYS 185.A N ARG 181.A O no hydrogen 3.021 N/A LYS 185.A NZ ASP 179.A OD1 no hydrogen 3.053 N/A LYS 185.A NZ ASP 179.A OD2 no hydrogen 2.799 N/A MET 186.A N ARG 182.A O no hydrogen 3.008 N/A LEU 187.A N ALA 183.A O no hydrogen 3.049 N/A MET 188.A N GLY 184.A O no hydrogen 2.883 N/A THR 189.A N MET 186.A O no hydrogen 2.992 N/A THR 189.A OG1 TYR 125.A OH no hydrogen 2.723 N/A THR 189.A OG1 MET 186.A O no hydrogen 2.581 N/A LEU 190.A N LEU 187.A O no hydrogen 3.080 N/A LEU 193.A N THR 189.A O no hydrogen 3.315 N/A ARG 194.A N LEU 190.A O no hydrogen 2.875 N/A ARG 194.A NE GLU 76.A OE2 no hydrogen 2.609 N/A ARG 194.A NH1 ASP 147.A OD2 no hydrogen 2.669 N/A ARG 194.A NH2 ASP 147.A OD2 no hydrogen 2.870 N/A GLN 195.A N PRO 191.A O no hydrogen 2.819 N/A THR 196.A N LEU 192.A O no hydrogen 2.937 N/A THR 196.A OG1 LEU 192.A O no hydrogen 2.914 N/A SER 197.A N LEU 193.A O no hydrogen 3.012 N/A SER 197.A OG.A LEU 193.A O no hydrogen 2.761 N/A THR 198.A N ARG 194.A O no hydrogen 2.771 N/A THR 198.A OG1 ARG 194.A O no hydrogen 2.913 N/A LYS 199.A N GLN 195.A O no hydrogen 3.140 N/A ALA 200.A N THR 196.A O no hydrogen 2.788 N/A VAL 201.A N SER 197.A O no hydrogen 2.855 N/A GLN 202.A N THR 198.A O no hydrogen 3.183 N/A HIS 203.A N LYS 199.A O no hydrogen 2.938 N/A PHE 204.A N ALA 200.A O no hydrogen 2.907 N/A TYR 205.A N VAL 201.A O no hydrogen 2.832 N/A ASN 206.A N GLN 202.A O no hydrogen 3.071 N/A ILE 207.A N HIS 203.A O no hydrogen 2.956 N/A LYS 208.A N PHE 204.A O no hydrogen 2.857 N/A LYS 208.A NZ GLU 224.A OE2 no hydrogen 2.427 N/A LEU 209.A N TYR 205.A O no hydrogen 3.032 N/A GLU 210.A N ASN 206.A O no hydrogen 3.075 N/A GLY 211.A N LYS 208.A O no hydrogen 2.987 N/A LYS 217.A NZ GLU 221.A OE2 no hydrogen 2.695 N/A PHE 219.A N ASP 42.A OD1 no hydrogen 2.892 N/A LEU 220.A N HIS 216.A O no hydrogen 2.914 N/A GLU 221.A N LYS 217.A O no hydrogen 2.823 N/A MET 222.A N LEU 218.A O no hydrogen 3.022 N/A LEU 223.A N PHE 219.A O no hydrogen 2.843 N/A GLU 224.A N LEU 220.A O no hydrogen 2.764 N/A ALA 225.A N GLU 221.A O no hydrogen 3.050 N/A ALA 225.A N MET 222.A O no hydrogen 3.265 N/A