Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fr3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N MET 2.A O no hydrogen 3.123 N/A ARG 7.A NH1 GLU 43.A OE1 no hydrogen 3.452 N/A ARG 7.A NH1 GLU 43.A OE2 no hydrogen 2.876 N/A ARG 7.A NH2 GLU 43.A OE1 no hydrogen 2.709 N/A LEU 10.A N GLU 6.A O no hydrogen 2.959 N/A ILE 11.A N ARG 7.A O no hydrogen 3.052 N/A GLN 12.A N ALA 8.A O no hydrogen 2.961 N/A LYS 13.A N SER 9.A O no hydrogen 2.870 N/A ALA 14.A N LEU 10.A O no hydrogen 2.887 N/A LYS 15.A N ILE 11.A O no hydrogen 3.036 N/A LEU 16.A N GLN 12.A O no hydrogen 2.988 N/A ALA 17.A N LYS 13.A O no hydrogen 2.761 N/A GLU 18.A N ALA 14.A O no hydrogen 2.902 N/A GLN 19.A N LYS 15.A O no hydrogen 3.129 N/A ALA 20.A N LEU 16.A O no hydrogen 2.961 N/A GLU 21.A N GLU 18.A O no hydrogen 2.998 N/A ARG 22.A N ALA 17.A O no hydrogen 2.835 N/A ARG 22.A NE ASP 25.A OD2 no hydrogen 2.835 N/A ARG 22.A NH2 ASP 25.A OD2 no hydrogen 2.710 N/A ASP 25.A N GLU 24.A OE2.B no hydrogen 3.215 N/A MET 26.A N ARG 22.A O no hydrogen 2.935 N/A ALA 27.A N TYR 23.A O no hydrogen 2.888 N/A ALA 28.A N GLU 24.A O no hydrogen 2.964 N/A PHE 29.A N ASP 25.A O no hydrogen 2.801 N/A MET 30.A N MET 26.A O no hydrogen 2.942 N/A LYS 31.A N ALA 27.A O no hydrogen 2.868 N/A LYS 31.A NZ GLU 35.A OE2 no hydrogen 2.813 N/A GLY 32.A N ALA 28.A O no hydrogen 3.046 N/A ALA 33.A N PHE 29.A O no hydrogen 2.866 N/A VAL 34.A N MET 30.A O no hydrogen 2.881 N/A GLU 35.A N LYS 31.A O no hydrogen 2.917 N/A LYS 36.A N ALA 33.A O no hydrogen 3.121 N/A LYS 36.A NZ MET 5.A O no hydrogen 2.778 N/A GLY 37.A N VAL 34.A O no hydrogen 2.990 N/A SER 41.A N GLU 43.A OE1 no hydrogen 2.849 N/A GLU 43.A N SER 41.A OG no hydrogen 3.216 N/A ARG 44.A N SER 41.A O no hydrogen 2.966 N/A LEU 46.A N GLU 42.A O no hydrogen 3.062 N/A LEU 47.A N GLU 43.A O no hydrogen 3.011 N/A SER 48.A N ARG 44.A O no hydrogen 3.027 N/A SER 48.A OG ASN 45.A O no hydrogen 3.031 N/A VAL 49.A N ASN 45.A O no hydrogen 2.971 N/A ALA 50.A N LEU 46.A O no hydrogen 3.061 N/A TYR 51.A N LEU 47.A O no hydrogen 3.218 N/A LYS 52.A N SER 48.A O no hydrogen 2.911 N/A LYS 52.A NZ TYR 126.A OH no hydrogen 3.104 N/A ASN 53.A N VAL 49.A O no hydrogen 2.980 N/A ASN 53.A ND2 VAL 49.A O no hydrogen 2.873 N/A VAL 54.A N ALA 50.A O no hydrogen 3.047 N/A VAL 55.A N TYR 51.A O no hydrogen 2.822 N/A GLY 56.A N LYS 52.A O no hydrogen 2.878 N/A GLY 57.A N ASN 53.A O no hydrogen 3.050 N/A GLN 58.A N VAL 54.A O no hydrogen 3.223 N/A GLN 58.A NE2 GLU 87.A OE2.A no hydrogen 2.763 N/A ARG 59.A N VAL 55.A O no hydrogen 2.821 N/A ARG 59.A NE GLU 129.A OE1 no hydrogen 2.845 N/A ARG 59.A NH2 GLU 129.A OE2 no hydrogen 2.864 N/A ALA 60.A N GLY 56.A O no hydrogen 3.053 N/A ALA 61.A N GLY 57.A O no hydrogen 2.967 N/A TRP 62.A N GLN 58.A O no hydrogen 2.821 N/A TRP 62.A NE1 GLU 85.A OE2 no hydrogen 2.734 N/A ARG 63.A N ARG 59.A O no hydrogen 2.901 N/A VAL 64.A N ALA 60.A O no hydrogen 3.120 N/A LEU 65.A N ALA 61.A O no hydrogen 2.991 N/A SER 66.A N TRP 62.A O no hydrogen 2.807 N/A SER 66.A OG.B TRP 62.A O no hydrogen 3.081 N/A SER 67.A N ARG 63.A O no hydrogen 2.951 N/A ILE 68.A N VAL 64.A O no hydrogen 2.960 N/A GLU 69.A N LEU 65.A O no hydrogen 2.781 N/A GLN 70.A N SER 66.A O no hydrogen 2.916 N/A LYS 71.A N SER 67.A O no hydrogen 3.085 N/A SER 72.A N ILE 68.A O no hydrogen 3.062 N/A ASN 73.A N GLN 70.A O no hydrogen 3.104 N/A ASN 73.A ND2 GLN 70.A OE1 no hydrogen 3.463 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.835 N/A ARG 78.A NH1 GLU 82.A OE1 no hydrogen 3.351 N/A ARG 78.A NH1 GLU 82.A OE2 no hydrogen 3.508 N/A GLU 79.A N PRO 75.A O no hydrogen 2.861 N/A TYR 80.A N GLU 76.A O no hydrogen 2.864 N/A ARG 81.A N VAL 77.A O no hydrogen 2.797 N/A ARG 81.A NE GLU 69.A OE1 no hydrogen 2.823 N/A ARG 81.A NH1 GLU 85.A OE2 no hydrogen 2.999 N/A ARG 81.A NH2 GLU 69.A OE1 no hydrogen 3.455 N/A ARG 81.A NH2 GLU 69.A OE2 no hydrogen 2.938 N/A GLU 82.A N ARG 78.A O no hydrogen 2.925 N/A LYS 83.A N GLU 79.A O no hydrogen 2.993 N/A VAL 84.A N TYR 80.A O no hydrogen 2.960 N/A GLU 85.A N ARG 81.A O no hydrogen 2.719 N/A THR 86.A N GLU 82.A O no hydrogen 2.880 N/A THR 86.A OG1.A GLU 82.A O no hydrogen 2.728 N/A THR 86.A OG1.B LYS 83.A O no hydrogen 3.268 N/A GLU 87.A N LYS 83.A O no hydrogen 3.126 N/A LEU 88.A N VAL 84.A O no hydrogen 2.891 N/A GLN 89.A N GLU 85.A O no hydrogen 2.815 N/A GLY 90.A N THR 86.A O no hydrogen 2.914 N/A VAL 91.A N GLU 87.A O no hydrogen 3.028 N/A CYS 92.A N LEU 88.A O no hydrogen 2.922 N/A CYS 92.A SG LEU 88.A O no hydrogen 3.439 N/A CYS 92.A SG TYR 123.A O no hydrogen 3.743 N/A ASP 93.A N GLN 89.A O no hydrogen 2.844 N/A THR 94.A N GLY 90.A O no hydrogen 2.933 N/A THR 94.A OG1 GLY 90.A O no hydrogen 3.055 N/A VAL 95.A N VAL 91.A O no hydrogen 3.010 N/A LEU 96.A N CYS 92.A O no hydrogen 2.894 N/A GLY 97.A N ASP 93.A O no hydrogen 2.886 N/A LEU 98.A N THR 94.A O no hydrogen 2.949 N/A LEU 99.A N VAL 95.A O no hydrogen 2.939 N/A ASP 100.A N LEU 96.A O no hydrogen 2.897 N/A SER 101.A N GLY 97.A O no hydrogen 2.786 N/A SER 101.A OG.B GLY 97.A O no hydrogen 2.692 N/A LEU 103.A N LEU 98.A O no hydrogen 3.359 N/A ILE 104.A N LEU 99.A O no hydrogen 2.889 N/A GLU 106.A N HIS 102.A O no hydrogen 3.187 N/A ALA 107.A N ILE 104.A O no hydrogen 3.007 N/A SER 112.A OG.A ASP 109.A O no hydrogen 2.881 N/A ARG 113.A N ASP 109.A O no hydrogen 2.899 N/A ARG 113.A NH1 ALA 107.A O no hydrogen 3.191 N/A ARG 113.A NH2 GLU 149.A OE2.A no hydrogen 3.249 N/A VAL 114.A N ALA 110.A O no hydrogen 2.861 N/A PHE 115.A N GLU 111.A O no hydrogen 3.348 N/A TYR 116.A N SER 112.A O no hydrogen 3.016 N/A LEU 117.A N ARG 113.A O no hydrogen 2.920 N/A LYS 118.A N VAL 114.A O no hydrogen 2.793 N/A LYS 118.A NZ ASP 122.A OD2 no hydrogen 2.789 N/A MET 119.A N PHE 115.A O no hydrogen 3.064 N/A LYS 120.A N TYR 116.A O no hydrogen 2.836 N/A LYS 120.A NZ ASP 100.A OD1.B no hydrogen 3.160 N/A GLY 121.A N LEU 117.A O no hydrogen 2.935 N/A ASP 122.A N LYS 118.A O no hydrogen 2.763 N/A TYR 123.A N MET 119.A O no hydrogen 2.998 N/A TYR 124.A N LYS 120.A O no hydrogen 3.063 N/A ARG 125.A N GLY 121.A O no hydrogen 2.832 N/A ARG 125.A NE TYR 147.A OH no hydrogen 2.914 N/A ARG 125.A NH2 ASP 122.A OD1 no hydrogen 3.309 N/A TYR 126.A N ASP 122.A O no hydrogen 2.802 N/A LEU 127.A N TYR 123.A O no hydrogen 3.090 N/A ALA 128.A N TYR 124.A O no hydrogen 2.789 N/A GLU 129.A N ARG 125.A O no hydrogen 2.908 N/A VAL 130.A N LEU 127.A O no hydrogen 3.239 N/A ALA 131.A N ALA 128.A O no hydrogen 3.373 N/A LYS 136.A N GLY 133.A O no hydrogen 3.307 N/A ILE 139.A N ASP 135.A O no hydrogen 2.928 N/A ILE 140.A N LYS 136.A O no hydrogen 3.003 N/A ASP 141.A N LYS 137.A O no hydrogen 2.982 N/A SER 142.A N ARG 138.A O no hydrogen 2.953 N/A SER 142.A OG ARG 138.A O no hydrogen 3.023 N/A ALA 143.A N ILE 139.A O no hydrogen 2.975 N/A ARG 144.A N ILE 140.A O no hydrogen 2.970 N/A ARG 144.A NE.A ASP 141.A OD1.B no hydrogen 2.887 N/A ARG 144.A NE.B ASP 141.A OD1.B no hydrogen 2.683 N/A ARG 144.A NH2.A ASP 141.A OD1.B no hydrogen 2.413 N/A ARG 144.A NH2.B ASP 141.A OD1.B no hydrogen 3.507 N/A ARG 144.A NH2.B ASP 141.A OD2.B no hydrogen 3.149 N/A SER 145.A N ASP 141.A O no hydrogen 2.967 N/A SER 145.A OG.B ASP 141.A O no hydrogen 3.160 N/A ALA 146.A N SER 142.A O no hydrogen 3.094 N/A TYR 147.A N ALA 143.A O no hydrogen 2.992 N/A TYR 147.A OH ASP 122.A OD1 no hydrogen 2.523 N/A GLN 148.A N ARG 144.A O no hydrogen 2.762 N/A GLN 148.A NE2 ASP 152.A OD1 no hydrogen 2.802 N/A GLU 149.A N SER 145.A O no hydrogen 2.997 N/A ALA 150.A N ALA 146.A O no hydrogen 3.020 N/A MET 151.A N TYR 147.A O no hydrogen 2.795 N/A ASP 152.A N GLN 148.A O no hydrogen 2.881 N/A ILE 153.A N GLU 149.A O no hydrogen 3.138 N/A SER 154.A N ALA 150.A O no hydrogen 2.925 N/A SER 154.A OG.A ALA 150.A O no hydrogen 3.187 N/A SER 154.A OG.A MET 151.A O no hydrogen 3.031 N/A SER 154.A OG.B ALA 150.A O no hydrogen 2.953 N/A LYS 155.A N.A MET 151.A O no hydrogen 3.027 N/A LYS 155.A N.C MET 151.A O no hydrogen 2.897 N/A LYS 155.A NZ.C ASP 152.A OD1 no hydrogen 2.550 N/A LYS 156.A N ASP 152.A O no hydrogen 3.261 N/A GLU 157.A N ILE 153.A O no hydrogen 2.792 N/A MET 158.A N SER 154.A O no hydrogen 2.968 N/A THR 161.A OG1 ASP 200.A OD2 no hydrogen 2.700 N/A ASN 162.A N PRO 159.A O no hydrogen 3.026 N/A ILE 164.A N ASN 162.A OD1 no hydrogen 2.908 N/A ARG 165.A N ASN 162.A OD1 no hydrogen 3.240 N/A ARG 165.A NH1 MET 158.A O no hydrogen 2.932 N/A ARG 165.A NH2 GLU 196.A OE2.B no hydrogen 3.280 N/A LEU 166.A N ASN 162.A O no hydrogen 2.888 N/A GLY 167.A N PRO 163.A O no hydrogen 2.886 N/A LEU 168.A N ILE 164.A O no hydrogen 2.923 N/A ALA 169.A N ARG 165.A O no hydrogen 3.083 N/A LEU 170.A N LEU 166.A O no hydrogen 2.883 N/A ASN 171.A N GLY 167.A O no hydrogen 2.930 N/A ASN 171.A ND2 ASP 122.A OD1 no hydrogen 2.894 N/A ASN 171.A ND2 ASP 122.A OD2 no hydrogen 3.462 N/A PHE 172.A N LEU 168.A O no hydrogen 2.831 N/A SER 173.A N ALA 169.A O no hydrogen 2.938 N/A SER 173.A OG ALA 186.A O no hydrogen 2.769 N/A VAL 174.A N LEU 170.A O no hydrogen 3.012 N/A PHE 175.A N ASN 171.A O no hydrogen 2.835 N/A HIS 176.A N PHE 172.A O no hydrogen 2.868 N/A TYR 177.A N SER 173.A O no hydrogen 2.959 N/A GLU 178.A N VAL 174.A O no hydrogen 2.883 N/A ILE 179.A N PHE 175.A O no hydrogen 2.956 N/A ALA 180.A N PHE 175.A O no hydrogen 2.954 N/A SER 182.A N HIS 176.A O no hydrogen 2.724 N/A SER 182.A OG ALA 180.A O no hydrogen 3.197 N/A ALA 186.A N SER 182.A O no hydrogen 3.076 N/A ILE 187.A N PRO 183.A O no hydrogen 2.944 N/A SER 188.A N GLU 184.A O no hydrogen 3.013 N/A SER 188.A OG.B GLU 184.A O no hydrogen 3.235 N/A LEU 189.A N GLU 185.A O no hydrogen 2.862 N/A ALA 190.A N ALA 186.A O no hydrogen 3.011 N/A LYS 191.A N ILE 187.A O no hydrogen 2.823 N/A LYS 191.A NZ.A ASP 195.A OD1 no hydrogen 3.487 N/A LYS 191.A NZ.A ASP 195.A OD2 no hydrogen 2.375 N/A THR 192.A N SER 188.A O no hydrogen 3.036 N/A THR 192.A OG1.A SER 188.A O no hydrogen 3.338 N/A THR 192.A OG1.C GLU 196.A OE2.A no hydrogen 3.500 N/A THR 193.A N LEU 189.A O no hydrogen 3.018 N/A THR 193.A OG1 LEU 189.A O no hydrogen 2.705 N/A PHE 194.A N ALA 190.A O no hydrogen 2.977 N/A ASP 195.A N LYS 191.A O no hydrogen 2.875 N/A GLU 196.A N THR 192.A O no hydrogen 2.876 N/A ALA 197.A N THR 193.A O no hydrogen 3.002 N/A MET 198.A N PHE 194.A O no hydrogen 2.888 N/A ALA 199.A N ASP 195.A O no hydrogen 3.342 N/A ASP 200.A N ALA 197.A O no hydrogen 2.960 N/A LEU 201.A N MET 198.A O no hydrogen 3.303 N/A THR 203.A N ASP 200.A O no hydrogen 3.088 N/A THR 203.A OG1 ASP 200.A O no hydrogen 2.833 N/A LEU 204.A N LEU 201.A O no hydrogen 3.027 N/A SER 208.A N SER 205.A OG no hydrogen 3.221 N/A TYR 209.A N SER 205.A O no hydrogen 2.891 N/A LYS 210.A N GLU 206.A O no hydrogen 3.066 N/A ASP 211.A N ASP 207.A O no hydrogen 3.177 N/A SER 212.A N SER 208.A O no hydrogen 2.934 N/A SER 212.A OG THR 161.A O no hydrogen 2.595 N/A SER 212.A OG SER 208.A O no hydrogen 3.369 N/A THR 213.A N TYR 209.A O no hydrogen 3.014 N/A THR 213.A OG1 TYR 209.A O no hydrogen 2.882 N/A THR 213.A OG1 LYS 210.A O no hydrogen 3.227 N/A LEU 214.A N LYS 210.A O no hydrogen 3.256 N/A MET 216.A N SER 212.A O no hydrogen 2.898 N/A GLN 217.A N THR 213.A O no hydrogen 2.937 N/A LEU 219.A N ILE 215.A O no hydrogen 3.122 N/A ARG 220.A N MET 216.A O no hydrogen 2.968 N/A ASP 221.A N GLN 217.A O no hydrogen 2.874 N/A ASN 222.A N LEU 218.A O no hydrogen 3.048 N/A LEU 223.A N LEU 219.A O no hydrogen 3.017 N/A THR 224.A N ARG 220.A O no hydrogen 2.932 N/A THR 224.A OG1 ARG 220.A O no hydrogen 2.851 N/A LEU 225.A N ASP 221.A O no hydrogen 3.015 N/A TRP 226.A N ASN 222.A O no hydrogen 2.883 N/A THR 227.A OG1 LEU 223.A O no hydrogen 2.526 N/A