Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5mse_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLY 1.A O no hydrogen 3.116 N/A PHE 5.A N GLU 2.A O no hydrogen 3.116 N/A VAL 9.A N GLY 32.A O no hydrogen 2.844 N/A ILE 11.A N GLY 30.A O no hydrogen 2.929 N/A LEU 12.A N LEU 113.A O no hydrogen 2.978 N/A VAL 13.A N GLY 28.A O no hydrogen 2.816 N/A GLU 14.A N ASN 115.A O no hydrogen 2.852 N/A LEU 15.A N VAL 26.A O no hydrogen 2.870 N/A ASP 16.A N ILE 117.A O no hydrogen 2.950 N/A GLY 17.A N PHE 24.A O no hydrogen 2.818 N/A ASP 18.A N LEU 119.A O no hydrogen 2.987 N/A VAL 19.A N HIS 22.A O no hydrogen 2.991 N/A ASN 20.A N GLY 121.A O no hydrogen 2.950 N/A ASN 20.A ND2 PHE 124.A O no hydrogen 2.847 N/A GLY 21.A N ASP 18.A OD1 no hydrogen 2.805 N/A HIS 22.A N VAL 19.A O no hydrogen 2.904 N/A PHE 24.A N GLY 17.A O no hydrogen 2.946 N/A SER 25.A N THR 47.A OG1 no hydrogen 3.062 N/A SER 25.A OG ASP 16.A OD1 no hydrogen 2.831 N/A VAL 26.A N LEU 15.A O no hydrogen 2.933 N/A ARG 27.A N ILE 44.A O no hydrogen 3.036 N/A ARG 27.A NH2 GLU 29.A OE2 no hydrogen 3.075 N/A GLY 28.A N VAL 13.A O no hydrogen 2.824 N/A GLU 29.A N ARG 42.A O no hydrogen 2.971 N/A GLY 30.A N ILE 11.A O no hydrogen 3.070 N/A GLU 31.A N THR 40.A O no hydrogen 3.007 N/A GLY 32.A N VAL 9.A O no hydrogen 2.930 N/A ASP 33.A N MET 38.A O no hydrogen 2.715 N/A THR 35.A OG1 THR 6.A O no hydrogen 3.347 N/A TYR 36.A N ASP 33.A O no hydrogen 3.081 N/A GLY 37.A N ALA 34.A O no hydrogen 3.067 N/A MET 38.A N ASP 33.A O no hydrogen 3.119 N/A LEU 39.A N GLU 216.A O no hydrogen 2.964 N/A THR 40.A N GLU 31.A O no hydrogen 3.036 N/A LEU 41.A N LEU 214.A O no hydrogen 2.868 N/A ARG 42.A N GLU 29.A O no hydrogen 2.835 N/A ARG 42.A NH1 GLU 207.A OE1 no hydrogen 3.370 N/A ARG 42.A NH2 ASP 204.A OD2 no hydrogen 2.684 N/A ARG 42.A NH2 GLU 207.A OE1 no hydrogen 3.319 N/A PHE 43.A N MET 212.A O no hydrogen 2.818 N/A ILE 44.A N ARG 27.A O no hydrogen 2.853 N/A CYS 45.A N ASP 210.A O no hydrogen 2.905 N/A CYS 45.A SG SER 25.A O no hydrogen 3.570 N/A CYS 45.A SG THR 47.A OG1 no hydrogen 3.385 N/A CYS 45.A SG GLY 48.A O no hydrogen 3.429 N/A THR 46.A N SER 25.A O no hydrogen 2.899 N/A THR 46.A OG1 SER 25.A O no hydrogen 3.451 N/A LEU 50.A N ASP 210.A OD2 no hydrogen 2.894 N/A TRP 54.A NE1 ASP 210.A OD1 no hydrogen 2.938 N/A THR 56.A N PRO 53.A O no hydrogen 2.986 N/A THR 56.A OG1 PRO 53.A O no hydrogen 2.783 N/A THR 56.A OG1 TYR 100.A OH no hydrogen 2.796 N/A LEU 57.A N TRP 54.A O no hydrogen 2.923 N/A VAL 58.A N PRO 55.A O no hydrogen 3.503 N/A THR 59.A OG1 HIS 175.A NE2 no hydrogen 2.758 N/A LEU 61.A N LEU 57.A O no hydrogen 2.917 N/A CYS 64.A SG TYR 86.A OH no hydrogen 3.913 N/A PHE 65.A N VAL 62.A O no hydrogen 3.003 N/A ALA 66.A N GLN 63.A O no hydrogen 3.178 N/A ARG 67.A N VAL 218.A O no hydrogen 2.908 N/A ARG 67.A NH1 THR 35.A O no hydrogen 2.602 N/A TYR 68.A OH HIS 193.A NE2 no hydrogen 2.699 N/A MET 72.A N PRO 69.A O no hydrogen 2.815 N/A ARG 73.A N ASP 70.A O no hydrogen 3.241 N/A ARG 73.A NE ASP 70.A O no hydrogen 3.388 N/A HIS 75.A N MET 72.A O no hydrogen 2.886 N/A ASP 76.A N ARG 73.A O no hydrogen 3.398 N/A PHE 77.A N HIS 75.A O no hydrogen 3.119 N/A LYS 79.A N ASP 76.A OD1 no hydrogen 3.079 N/A LYS 79.A NZ CYS 64.A O no hydrogen 2.896 N/A LYS 79.A NZ ALA 66.A O no hydrogen 2.811 N/A LYS 79.A NZ ASP 76.A OD2 no hydrogen 2.817 N/A SER 80.A N ASP 76.A O no hydrogen 3.327 N/A SER 80.A OG PHE 77.A O no hydrogen 2.681 N/A THR 81.A OG1 PHE 78.A O no hydrogen 2.734 N/A MET 82.A N LYS 79.A O no hydrogen 3.005 N/A GLY 85.A N THR 81.A O no hydrogen 2.839 N/A TYR 86.A N VAL 106.A O no hydrogen 2.867 N/A VAL 87.A N THR 180.A O no hydrogen 2.918 N/A GLN 88.A N ALA 104.A O no hydrogen 2.857 N/A GLU 89.A N GLN 178.A O no hydrogen 2.889 N/A ARG 90.A N THR 102.A O no hydrogen 3.022 N/A ARG 90.A NE GLN 177.A OE1 no hydrogen 2.869 N/A ARG 90.A NH1 THR 59.A O no hydrogen 2.894 N/A ARG 90.A NH2 GLN 177.A OE1 no hydrogen 2.900 N/A MET 91.A N TYR 176.A O no hydrogen 2.897 N/A ILE 92.A N TYR 100.A O no hydrogen 2.760 N/A TYR 93.A N MET 174.A O no hydrogen 2.903 N/A PHE 94.A N GLY 98.A O no hydrogen 3.016 N/A GLU 95.A N VAL 172.A O no hydrogen 2.813 N/A ASP 97.A N PHE 94.A O no hydrogen 3.027 N/A GLY 98.A N ASP 97.A OD1 no hydrogen 3.031 N/A ALA 99.A N THR 122.A O no hydrogen 3.084 N/A TYR 100.A N ILE 92.A O no hydrogen 2.859 N/A TYR 100.A OH THR 56.A OG1 no hydrogen 2.796 N/A ARG 101.A N ARG 120.A O no hydrogen 2.782 N/A THR 102.A N ARG 90.A O no hydrogen 2.908 N/A ARG 103.A N GLU 118.A O no hydrogen 2.959 N/A ALA 104.A N GLN 88.A O no hydrogen 2.843 N/A VAL 105.A N ARG 116.A O no hydrogen 2.932 N/A VAL 106.A N TYR 86.A O no hydrogen 2.867 N/A ARG 107.A N VAL 114.A O no hydrogen 3.091 N/A PHE 108.A N PRO 83.A O no hydrogen 3.166 N/A GLU 109.A N THR 112.A O no hydrogen 2.824 N/A THR 112.A N GLU 109.A O no hydrogen 3.173 N/A THR 112.A OG1 ASP 111.A OD1 no hydrogen 2.904 N/A LEU 113.A N PRO 10.A O no hydrogen 3.002 N/A VAL 114.A N ARG 107.A O no hydrogen 2.942 N/A ASN 115.A N LEU 12.A O no hydrogen 2.791 N/A ASN 115.A ND2 THR 60.A O no hydrogen 3.369 N/A ASN 115.A ND2 LEU 61.A O no hydrogen 2.923 N/A ARG 116.A N VAL 105.A O no hydrogen 2.972 N/A ARG 116.A NE GLU 109.A OE2 no hydrogen 3.043 N/A ARG 116.A NH2 GLU 109.A OE1 no hydrogen 3.015 N/A ILE 117.A N GLU 14.A O no hydrogen 2.835 N/A GLU 118.A N ARG 103.A O no hydrogen 2.897 N/A LEU 119.A N ASP 16.A O no hydrogen 2.910 N/A ARG 120.A N ARG 101.A O no hydrogen 2.893 N/A GLY 121.A N ASP 18.A O no hydrogen 2.680 N/A THR 122.A N ALA 99.A O no hydrogen 3.067 N/A PHE 124.A N ASN 20.A OD1 no hydrogen 3.081 N/A ARG 125.A N ASP 97.A OD1 no hydrogen 2.745 N/A ARG 125.A NE ASP 96.A O no hydrogen 2.990 N/A ARG 125.A NH2 ASP 96.A O no hydrogen 3.036 N/A GLY 128.A N ARG 125.A O no hydrogen 3.140 N/A ASN 129.A ND2 GLN 171.A OE1 no hydrogen 2.920 N/A GLY 132.A N GLY 128.A O no hydrogen 2.862 N/A HIS 133.A N ILE 130.A O no hydrogen 3.113 N/A ARG 134.A N ASN 129.A O no hydrogen 2.895 N/A ARG 134.A NH1 ASP 127.A O no hydrogen 3.046 N/A ARG 134.A NH2 ASP 127.A O no hydrogen 2.937 N/A ARG 134.A NH2 ASN 129.A OD1 no hydrogen 3.187 N/A GLU 136.A N ASN 164.A O no hydrogen 2.850 N/A TYR 137.A OH SER 202.A O no hydrogen 2.651 N/A ASN 138.A N GLU 136.A O no hydrogen 3.034 N/A ASN 138.A ND2 GLU 136.A OE1 no hydrogen 3.304 N/A ASN 140.A ND2 ARG 162.A O no hydrogen 2.801 N/A ASN 140.A ND2 ASN 164.A OD1 no hydrogen 3.024 N/A SER 141.A OG THR 197.A O no hydrogen 3.243 N/A HIS 142.A N THR 197.A OG1 no hydrogen 2.909 N/A VAL 144.A N LEU 195.A O no hydrogen 2.757 N/A TYR 145.A N MET 158.A O no hydrogen 3.049 N/A TYR 145.A OH ASP 192.A OD2 no hydrogen 2.598 N/A ILE 146.A N HIS 193.A O no hydrogen 2.842 N/A MET 147.A N ARG 156.A O no hydrogen 2.842 N/A ASP 149.A N GLY 154.A O no hydrogen 2.787 N/A GLN 151.A NE2 ASP 149.A OD1 no hydrogen 3.280 N/A ARG 152.A N ASP 149.A O no hydrogen 3.249 N/A ARG 152.A N ASP 149.A OD1 no hydrogen 3.152 N/A ARG 152.A NE ASP 149.A OD2 no hydrogen 2.701 N/A ARG 152.A NH1 THR 180.A OG1 no hydrogen 2.944 N/A ASN 153.A N ARG 150.A O no hydrogen 3.065 N/A GLY 154.A N ASP 149.A O no hydrogen 2.982 N/A ILE 155.A N ASN 179.A O no hydrogen 3.109 N/A ARG 156.A N MET 147.A O no hydrogen 2.845 N/A ARG 156.A NE ASP 149.A OD2 no hydrogen 2.932 N/A ARG 156.A NH2 ASP 149.A OD2 no hydrogen 3.377 N/A ALA 157.A N GLN 177.A O no hydrogen 2.901 N/A MET 158.A N TYR 145.A O no hydrogen 2.995 N/A PHE 159.A N HIS 175.A O no hydrogen 3.199 N/A THR 161.A N ALA 173.A O no hydrogen 2.854 N/A THR 161.A OG1 HIS 163.A NE2 no hydrogen 2.874 N/A THR 161.A OG1 ALA 173.A O no hydrogen 3.537 N/A HIS 163.A N GLN 171.A O no hydrogen 2.862 N/A VAL 165.A N SER 169.A O no hydrogen 2.835 N/A GLU 166.A N ARG 134.A O no hydrogen 2.905 N/A GLY 168.A N VAL 165.A O no hydrogen 2.967 N/A SER 169.A N ASP 167.A OD1 no hydrogen 2.849 N/A SER 169.A OG ASP 167.A OD1 no hydrogen 2.513 N/A SER 169.A OG ASP 167.A OD2 no hydrogen 3.552 N/A GLN 171.A N HIS 163.A O no hydrogen 2.861 N/A GLN 171.A NE2 GLU 95.A O no hydrogen 2.896 N/A VAL 172.A N GLU 95.A OE1 no hydrogen 2.963 N/A ALA 173.A N THR 161.A O no hydrogen 2.966 N/A MET 174.A N TYR 93.A O no hydrogen 2.867 N/A HIS 175.A N PHE 159.A O no hydrogen 2.787 N/A HIS 175.A ND1 ALA 173.A O no hydrogen 2.987 N/A HIS 175.A NE2 THR 59.A OG1 no hydrogen 2.758 N/A TYR 176.A N MET 91.A O no hydrogen 2.846 N/A GLN 177.A N ALA 157.A O no hydrogen 2.889 N/A GLN 177.A NE2 GLN 63.A OE1 no hydrogen 2.889 N/A GLN 177.A NE2 ASN 179.A OD1 no hydrogen 2.849 N/A GLN 178.A N GLU 89.A O no hydrogen 2.854 N/A GLN 178.A NE2 GLU 89.A OE1 no hydrogen 2.831 N/A ASN 179.A N ILE 155.A O no hydrogen 2.903 N/A ASN 179.A ND2 GLN 88.A OE1 no hydrogen 2.863 N/A THR 180.A N VAL 87.A O no hydrogen 2.971 N/A ILE 182.A N GLY 85.A O no hydrogen 2.915 N/A LEU 188.A N SER 80.A OG no hydrogen 3.031 N/A ASP 191.A N HIS 75.A ND1 no hydrogen 3.059 N/A HIS 193.A N ILE 146.A O no hydrogen 3.223 N/A HIS 193.A ND1 ASP 191.A O no hydrogen 2.853 N/A HIS 193.A NE2 TYR 68.A OH no hydrogen 2.699 N/A TYR 194.A N ALA 221.A O no hydrogen 2.980 N/A LEU 195.A N VAL 144.A O no hydrogen 2.847 N/A TYR 196.A N MET 219.A O no hydrogen 2.905 N/A THR 197.A N HIS 142.A O no hydrogen 2.908 N/A THR 197.A OG1 HIS 142.A O no hydrogen 3.244 N/A MET 198.A N PHE 217.A O no hydrogen 2.915 N/A SER 199.A OG GLU 216.A OE1 no hydrogen 3.389 N/A LEU 200.A N ARG 215.A O no hydrogen 2.841 N/A SER 202.A N VAL 213.A O no hydrogen 2.828 N/A ASP 204.A N HIS 211.A NE2 no hydrogen 2.884 N/A ASN 206.A N ASP 204.A OD1 no hydrogen 2.816 N/A GLU 207.A N ASP 204.A O no hydrogen 3.023 N/A ARG 209.A N GLU 207.A OE2 no hydrogen 2.821 N/A ARG 209.A NE GLU 207.A OE2 no hydrogen 2.979 N/A ARG 209.A NH2 GLU 207.A OE1 no hydrogen 2.863 N/A ARG 209.A NH2 GLU 207.A OE2 no hydrogen 3.426 N/A HIS 211.A ND1 ARG 209.A O no hydrogen 2.827 N/A MET 212.A N PHE 43.A O no hydrogen 3.070 N/A VAL 213.A N SER 202.A O no hydrogen 3.028 N/A LEU 214.A N LEU 41.A O no hydrogen 2.887 N/A ARG 215.A N LEU 200.A O no hydrogen 3.028 N/A GLU 216.A N LEU 39.A O no hydrogen 2.996 N/A PHE 217.A N MET 198.A O no hydrogen 2.830 N/A VAL 218.A N GLY 37.A O no hydrogen 2.844 N/A MET 219.A N TYR 196.A O no hydrogen 3.176 N/A ALA 220.A N ARG 67.A O no hydrogen 2.840 N/A ALA 221.A N TYR 194.A O no hydrogen 2.914 N/A