Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a8r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG GLU 6.A OE1 no hydrogen 3.497 N/A ALA 7.A N SER 4.A OG no hydrogen 2.960 N/A ALA 8.A N SER 4.A O no hydrogen 2.969 N/A LEU 9.A N LYS 5.A O no hydrogen 2.904 N/A VAL 10.A N GLU 6.A O no hydrogen 2.912 N/A HIS 11.A N ALA 7.A O no hydrogen 3.020 N/A HIS 11.A ND1 GLU 20.A OE2 no hydrogen 2.749 N/A GLU 12.A N ALA 8.A O no hydrogen 2.857 N/A ALA 13.A N LEU 9.A O no hydrogen 2.884 N/A LEU 14.A N VAL 10.A O no hydrogen 2.907 N/A VAL 15.A N HIS 11.A O no hydrogen 2.990 N/A ALA 16.A N GLU 12.A O no hydrogen 2.833 N/A ARG 17.A N ALA 13.A O no hydrogen 3.072 N/A ARG 17.A NH1 ALA 13.A O no hydrogen 3.071 N/A GLY 18.A N VAL 15.A O no hydrogen 2.835 N/A LEU 19.A N LEU 14.A O no hydrogen 2.787 N/A GLU 33.A N ASP 31.A OD1 no hydrogen 3.127 N/A THR 34.A N ASP 31.A O no hydrogen 3.136 N/A LYS 36.A N ASN 32.A O no hydrogen 2.862 N/A LYS 36.A NZ ASP 72.A OD2 no hydrogen 2.867 N/A SER 37.A N GLU 33.A O no hydrogen 2.943 N/A SER 37.A OG GLU 33.A O no hydrogen 3.082 N/A SER 37.A OG THR 34.A O no hydrogen 2.638 N/A LEU 38.A N THR 34.A O no hydrogen 2.973 N/A ILE 39.A N ARG 35.A O no hydrogen 2.877 N/A ALA 40.A N LYS 36.A O no hydrogen 2.846 N/A GLY 41.A N SER 37.A O no hydrogen 3.038 N/A HIS 42.A N LEU 38.A O no hydrogen 3.034 N/A MET 43.A N ILE 39.A O no hydrogen 2.892 N/A THR 44.A N ALA 40.A O no hydrogen 2.785 N/A THR 44.A OG1 ALA 40.A O no hydrogen 3.014 N/A GLU 45.A N GLY 41.A O no hydrogen 3.036 N/A ILE 46.A N HIS 42.A O no hydrogen 2.940 N/A MET 47.A N MET 43.A O no hydrogen 2.899 N/A GLN 48.A N THR 44.A O no hydrogen 2.963 N/A LEU 49.A N GLU 45.A O no hydrogen 2.843 N/A LEU 50.A N ILE 46.A O no hydrogen 2.949 N/A LEU 50.A N MET 47.A O no hydrogen 2.962 N/A ASN 51.A N GLN 48.A O no hydrogen 2.751 N/A LEU 52.A N MET 47.A O no hydrogen 2.961 N/A ALA 55.A N ASP 53.A OD1 no hydrogen 3.045 N/A ASP 56.A N ASP 53.A O no hydrogen 2.983 N/A SER 58.A N ASP 56.A OD2 no hydrogen 2.959 N/A SER 58.A N ASP 57.A OD1 no hydrogen 2.753 N/A LEU 59.A N ASP 56.A O no hydrogen 3.060 N/A MET 60.A N ASP 56.A O no hydrogen 2.835 N/A THR 62.A N LEU 59.A O no hydrogen 3.126 N/A THR 62.A OG1 SER 58.A O no hydrogen 3.569 N/A THR 62.A OG1 LEU 59.A O no hydrogen 3.327 N/A ARG 65.A N GLU 61.A O no hydrogen 2.960 N/A ARG 65.A NH2 SER 58.A O no hydrogen 2.946 N/A ARG 65.A NH2 THR 62.A OG1 no hydrogen 2.970 N/A ILE 66.A N THR 62.A O no hydrogen 2.810 N/A ALA 67.A N PRO 63.A O no hydrogen 2.953 N/A LYS 68.A N HIS 64.A O no hydrogen 2.894 N/A MET 69.A N ARG 65.A O no hydrogen 2.790 N/A TYR 70.A N ILE 66.A O no hydrogen 3.074 N/A VAL 71.A N ALA 67.A O no hydrogen 3.109 N/A ASP 72.A N LYS 68.A O no hydrogen 2.782 N/A GLU 73.A N MET 69.A O no hydrogen 2.867 N/A SER 76.A N GLU 73.A O no hydrogen 2.888 N/A SER 76.A OG GLU 73.A O no hydrogen 3.104 N/A GLY 77.A N GLN 146.A O no hydrogen 2.854 N/A LEU 78.A N PHE 75.A O no hydrogen 2.875 N/A ASP 79.A N SER 76.A O no hydrogen 3.256 N/A TYR 80.A OH GLU 20.A OE2 no hydrogen 2.543 N/A ALA 81.A N ASP 79.A OD1 no hydrogen 3.030 N/A ASN 82.A N ASP 79.A O no hydrogen 2.884 N/A ASN 82.A ND2 SER 76.A O no hydrogen 2.700 N/A PHE 83.A N TYR 80.A O no hydrogen 3.255 N/A ILE 89.A N VAL 131.A O no hydrogen 2.802 N/A ASN 91.A N ASP 129.A O no hydrogen 2.857 N/A ASN 91.A ND2 VAL 95.A O no hydrogen 3.020 N/A ASN 91.A ND2 LYS 128.A O no hydrogen 2.847 N/A LYS 94.A N ASN 91.A O no hydrogen 3.053 N/A VAL 95.A N ASN 91.A OD1 no hydrogen 2.964 N/A VAL 99.A N TYR 125.A O no hydrogen 2.794 N/A VAL 101.A N VAL 123.A O no hydrogen 2.765 N/A ILE 104.A N ALA 121.A O no hydrogen 2.852 N/A LEU 106.A N GLY 119.A O no hydrogen 2.893 N/A THR 107.A OG1 GLN 142.A OE1 no hydrogen 3.333 N/A SER 108.A N ILE 117.A O no hydrogen 3.033 N/A SER 108.A OG ALA 145.A O no hydrogen 2.576 N/A SER 108.A OG ARG 147.A O no hydrogen 3.478 N/A CYS 110.A N VAL 115.A O no hydrogen 2.783 N/A CYS 110.A SG VAL 115.A O no hydrogen 3.676 N/A GLU 111.A N GLN 149.A O no hydrogen 2.907 N/A SER 112.A OG HIS 113.A ND1 no hydrogen 2.569 N/A HIS 113.A ND1 SER 112.A OG no hydrogen 2.569 N/A ILE 117.A N SER 108.A O no hydrogen 2.768 N/A ASP 118.A N VAL 178.A O no hydrogen 2.908 N/A GLY 119.A N LEU 106.A O no hydrogen 2.801 N/A LYS 120.A N ASP 176.A O no hydrogen 2.805 N/A ALA 121.A N ILE 104.A O no hydrogen 2.987 N/A THR 122.A N SER 174.A O no hydrogen 2.841 N/A VAL 123.A N VAL 101.A O no hydrogen 2.912 N/A ALA 124.A N ALA 172.A O no hydrogen 3.055 N/A TYR 125.A N VAL 99.A O no hydrogen 3.113 N/A ILE 126.A N ASN 170.A O no hydrogen 3.079 N/A VAL 131.A N ILE 89.A O no hydrogen 2.772 N/A ILE 132.A N TYR 125.A OH no hydrogen 3.189 N/A GLY 133.A N THR 87.A O no hydrogen 2.995 N/A LYS 136.A N GLY 133.A O no hydrogen 3.030 N/A LYS 136.A NZ LYS 85.A O no hydrogen 2.934 N/A ILE 137.A N LEU 134.A O no hydrogen 3.029 N/A ASN 138.A ND2 LEU 134.A O no hydrogen 3.016 N/A ARG 139.A N SER 135.A O no hydrogen 2.888 N/A ILE 140.A N LYS 136.A O no hydrogen 2.875 N/A VAL 141.A N ILE 137.A O no hydrogen 3.045 N/A GLN 142.A N ASN 138.A O no hydrogen 2.998 N/A GLN 142.A NE2 THR 105.A O no hydrogen 2.964 N/A GLN 142.A NE2 THR 107.A OG1 no hydrogen 3.333 N/A PHE 143.A N ARG 139.A O no hydrogen 2.747 N/A PHE 144.A N ILE 140.A O no hydrogen 3.173 N/A ALA 145.A N VAL 141.A O no hydrogen 3.058 N/A GLN 146.A N GLN 142.A O no hydrogen 3.036 N/A GLN 146.A NE2 THR 107.A OG1 no hydrogen 2.993 N/A GLN 146.A NE2 GLN 142.A OE1 no hydrogen 2.894 N/A ARG 147.A N ALA 145.A O no hydrogen 2.758 N/A ARG 147.A NE GLY 77.A O no hydrogen 2.802 N/A ARG 147.A NH1 GLU 20.A OE1 no hydrogen 2.979 N/A ARG 147.A NH1 THR 21.A OG1 no hydrogen 2.856 N/A ARG 147.A NH2 GLY 77.A O no hydrogen 2.944 N/A ARG 147.A NH2 TYR 80.A OH no hydrogen 3.523 N/A GLN 149.A N THR 109.A O no hydrogen 2.705 N/A GLN 149.A NE2 PHE 144.A O no hydrogen 2.892 N/A GLN 149.A NE2 GLN 157.A OE1 no hydrogen 2.955 N/A VAL 150.A N GLN 149.A OE1 no hydrogen 3.195 N/A GLN 151.A NE2 THR 194.A O no hydrogen 3.102 N/A GLN 151.A NE2 THR 196.A OG1 no hydrogen 3.034 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.838 N/A ARG 153.A N VAL 150.A O no hydrogen 2.857 N/A ARG 153.A NH1 GLU 111.A OE1 no hydrogen 3.015 N/A ARG 153.A NH2 GLU 111.A OE1 no hydrogen 3.117 N/A ARG 153.A NH2 GLU 111.A OE2 no hydrogen 3.164 N/A LEU 154.A N VAL 150.A O no hydrogen 2.874 N/A THR 155.A N GLN 151.A O no hydrogen 3.062 N/A THR 155.A OG1 GLN 151.A O no hydrogen 2.931 N/A THR 155.A OG1 THR 196.A OG1 no hydrogen 2.708 N/A GLN 157.A N ARG 153.A O no hydrogen 2.930 N/A GLN 157.A NE2 LEU 19.A O no hydrogen 2.725 N/A GLN 157.A NE2 THR 21.A OG1 no hydrogen 2.809 N/A ILE 158.A N LEU 154.A O no hydrogen 3.078 N/A LEU 159.A N THR 155.A O no hydrogen 3.021 N/A ILE 160.A N GLN 156.A O no hydrogen 3.059 N/A ALA 161.A N GLN 157.A O no hydrogen 2.876 N/A LEU 162.A N ILE 158.A O no hydrogen 2.965 N/A GLN 163.A N LEU 159.A O no hydrogen 2.956 N/A GLN 163.A NE2 LEU 159.A O no hydrogen 3.515 N/A THR 164.A N ILE 160.A O no hydrogen 2.905 N/A THR 164.A OG1 ILE 160.A O no hydrogen 2.799 N/A LEU 165.A N ALA 161.A O no hydrogen 2.993 N/A LEU 166.A N LEU 162.A O no hydrogen 2.750 N/A GLY 167.A N GLN 163.A O no hydrogen 2.730 N/A GLY 167.A N THR 164.A O no hydrogen 3.301 N/A THR 168.A N GLN 163.A O no hydrogen 3.296 N/A THR 168.A OG1 LEU 166.A O no hydrogen 3.324 N/A VAL 171.A N ASN 169.A O no hydrogen 2.881 N/A ALA 172.A N ALA 124.A O no hydrogen 2.830 N/A VAL 173.A N SER 198.A O no hydrogen 2.834 N/A SER 174.A N THR 122.A O no hydrogen 2.886 N/A SER 174.A OG THR 196.A O no hydrogen 3.565 N/A ILE 175.A N THR 196.A O no hydrogen 2.753 N/A ASP 176.A N LYS 120.A O no hydrogen 2.968 N/A ALA 177.A N THR 194.A O no hydrogen 2.845 N/A VAL 178.A N ASP 118.A O no hydrogen 2.770 N/A HIS 179.A NE2 GLN 151.A OE1 no hydrogen 2.812 N/A TYR 180.A N THR 116.A O no hydrogen 2.970 N/A VAL 182.A N HIS 179.A O no hydrogen 2.928 N/A LYS 183.A N HIS 179.A O no hydrogen 2.877 N/A ALA 184.A N TYR 180.A O no hydrogen 2.919 N/A ARG 185.A NH1 CYS 181.A O no hydrogen 2.748 N/A ARG 188.A N ARG 185.A O no hydrogen 2.861 N/A ASP 189.A N VAL 182.A O no hydrogen 2.925 N/A THR 191.A N ASP 189.A OD1 no hydrogen 3.065 N/A THR 191.A OG1 ASP 189.A OD1 no hydrogen 3.259 N/A SER 192.A N ASP 189.A OD1 no hydrogen 3.184 N/A THR 194.A N ALA 177.A O no hydrogen 2.896 N/A THR 195.A OG1 ASP 176.A OD1 no hydrogen 2.792 N/A THR 196.A N ILE 175.A O no hydrogen 2.844 N/A THR 196.A OG1 THR 155.A OG1 no hydrogen 2.708 N/A SER 198.A N VAL 173.A O no hydrogen 2.773 N/A SER 198.A OG GLN 156.A OE1 no hydrogen 3.199 N/A GLY 200.A N VAL 171.A O no hydrogen 2.735 N/A LEU 202.A N ASN 170.A OD1 no hydrogen 2.707 N/A PHE 203.A N GLY 200.A O no hydrogen 2.949 N/A LYS 204.A N GLY 201.A O no hydrogen 3.011 N/A SER 205.A N GLY 201.A O no hydrogen 2.830 N/A SER 205.A OG GLY 201.A O no hydrogen 2.809 N/A SER 206.A N LEU 202.A O no hydrogen 2.782 N/A SER 206.A OG THR 209.A OG1 no hydrogen 3.230 N/A THR 209.A N SER 206.A OG no hydrogen 3.289 N/A THR 209.A OG1 SER 206.A OG no hydrogen 3.230 N/A ARG 210.A N SER 206.A O no hydrogen 2.786 N/A ARG 210.A NH1 LYS 204.A O no hydrogen 3.175 N/A HIS 211.A N GLN 207.A O no hydrogen 2.962 N/A GLU 212.A N ASN 208.A O no hydrogen 3.275 N/A PHE 213.A N THR 209.A O no hydrogen 3.108 N/A LEU 214.A N ARG 210.A O no hydrogen 2.926 N/A ARG 215.A N HIS 211.A O no hydrogen 2.819 N/A ALA 216.A N GLU 212.A O no hydrogen 3.125 N/A VAL 217.A N PHE 213.A O no hydrogen 3.097 N/A ARG 218.A NH2 HIS 220.A NE2 no hydrogen 3.457 N/A HIS 219.A ND1 ARG 218.A O no hydrogen 2.851 N/A HIS 220.A ND1 ASN 221.A OD1 no hydrogen 2.995 N/A