Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hfr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 6.A N ARG 3.A O no hydrogen 2.962 N/A LEU 7.A N PRO 4.A O no hydrogen 3.309 N/A GLN 8.A N GLU 5.A O no hydrogen 2.966 N/A GLY 9.A N GLY 33.A O no hydrogen 2.916 N/A LYS 10.A N LEU 7.A O no hydrogen 3.051 N/A LYS 10.A NZ MET 6.A O no hydrogen 2.978 N/A LYS 11.A N ASP 89.A OD2 no hydrogen 2.701 N/A LYS 11.A NZ ASP 89.A OD1 no hydrogen 3.447 N/A VAL 12.A N HIS 35.A O no hydrogen 2.849 N/A ILE 13.A N MET 90.A O no hydrogen 3.085 N/A VAL 14.A N VAL 37.A O no hydrogen 3.071 N/A THR 15.A N ILE 92.A O no hydrogen 2.996 N/A THR 15.A OG1 ILE 92.A O no hydrogen 3.436 N/A THR 15.A OG1 HIS 95.A ND1 no hydrogen 2.666 N/A ALA 17.A N THR 39.A O no hydrogen 3.233 N/A ARG 23.A N LYS 19.A O no hydrogen 3.187 N/A ARG 23.A NH1 SER 18.A O no hydrogen 3.016 N/A GLU 24.A N GLY 20.A O no hydrogen 3.313 N/A MET 25.A N ILE 21.A O no hydrogen 2.868 N/A ALA 26.A N GLY 22.A O no hydrogen 3.079 N/A TYR 27.A N ARG 23.A O no hydrogen 3.149 N/A HIS 28.A N GLU 24.A O no hydrogen 3.058 N/A HIS 28.A NE2 GLU 209.A O no hydrogen 2.779 N/A LEU 29.A N MET 25.A O no hydrogen 3.028 N/A ALA 30.A N ALA 26.A O no hydrogen 3.181 N/A LYS 31.A N TYR 27.A O no hydrogen 3.083 N/A MET 32.A N HIS 28.A O no hydrogen 3.190 N/A GLY 33.A N ALA 30.A O no hydrogen 2.832 N/A ALA 34.A N LEU 29.A O no hydrogen 3.058 N/A HIS 35.A N LYS 10.A O no hydrogen 2.712 N/A HIS 35.A ND1 SER 60.A OG no hydrogen 2.958 N/A VAL 36.A N SER 60.A O no hydrogen 2.896 N/A VAL 37.A N VAL 12.A O no hydrogen 2.989 N/A VAL 38.A N HIS 62.A O no hydrogen 2.823 N/A THR 39.A N VAL 14.A O no hydrogen 3.280 N/A THR 39.A OG1 ILE 64.A O no hydrogen 3.118 N/A LEU 46.A N SER 42.A O no hydrogen 3.197 N/A GLN 47.A N LYS 43.A O no hydrogen 3.064 N/A GLN 47.A NE2 TYR 63.A OH no hydrogen 2.800 N/A LYS 48.A N GLU 44.A O no hydrogen 3.384 N/A VAL 49.A N THR 45.A O no hydrogen 3.131 N/A VAL 50.A N LEU 46.A O no hydrogen 2.928 N/A SER 51.A N GLN 47.A O no hydrogen 3.012 N/A SER 51.A OG GLN 47.A O no hydrogen 3.313 N/A SER 51.A OG LYS 48.A O no hydrogen 2.923 N/A HIS 52.A N LYS 48.A O no hydrogen 3.140 N/A HIS 52.A ND1 GLU 55.A OE1 no hydrogen 2.933 N/A CYS 53.A N VAL 49.A O no hydrogen 2.924 N/A CYS 53.A SG ALA 26.A O no hydrogen 3.512 N/A CYS 53.A SG VAL 49.A O no hydrogen 3.344 N/A LEU 54.A N VAL 50.A O no hydrogen 3.191 N/A GLU 55.A N SER 51.A O no hydrogen 3.111 N/A LEU 56.A N HIS 52.A O no hydrogen 3.164 N/A LEU 56.A N CYS 53.A O no hydrogen 3.107 N/A GLY 57.A N LEU 54.A O no hydrogen 3.440 N/A ALA 58.A N CYS 53.A O no hydrogen 3.267 N/A ALA 59.A N ALA 34.A O no hydrogen 3.109 N/A SER 60.A OG HIS 35.A ND1 no hydrogen 2.958 N/A HIS 62.A N VAL 36.A O no hydrogen 2.941 N/A ILE 64.A N VAL 38.A O no hydrogen 3.080 N/A GLY 66.A N ALA 40.A O no hydrogen 2.962 N/A THR 67.A OG1 GLU 69.A OE2 no hydrogen 3.308 N/A GLU 69.A N THR 67.A OG1 no hydrogen 3.329 N/A ASP 70.A N THR 67.A O no hydrogen 3.409 N/A THR 72.A N ASP 70.A OD1 no hydrogen 3.052 N/A THR 72.A OG1 ASP 70.A OD1 no hydrogen 2.601 N/A PHE 73.A N ASP 70.A OD1 no hydrogen 3.332 N/A ALA 74.A N ASP 70.A O no hydrogen 3.299 N/A GLU 75.A N MET 71.A O no hydrogen 3.202 N/A GLN 76.A N THR 72.A O no hydrogen 2.854 N/A PHE 77.A N PHE 73.A O no hydrogen 2.727 N/A VAL 78.A N ALA 74.A O no hydrogen 3.471 N/A GLN 80.A N GLN 76.A O no hydrogen 3.114 N/A GLN 80.A NE2 GLN 80.A O no hydrogen 3.132 N/A ALA 81.A N PHE 77.A O no hydrogen 2.934 N/A GLY 82.A N VAL 78.A O no hydrogen 2.842 N/A LYS 83.A N ALA 79.A O no hydrogen 3.075 N/A LEU 84.A N GLN 80.A O no hydrogen 2.945 N/A MET 85.A N ALA 81.A O no hydrogen 3.147 N/A GLY 87.A N GLY 82.A O no hydrogen 3.131 N/A ASP 89.A N LYS 11.A O no hydrogen 2.738 N/A MET 90.A N LYS 11.A O no hydrogen 3.089 N/A LEU 91.A N SER 139.A O no hydrogen 2.820 N/A ILE 92.A N ILE 13.A O no hydrogen 2.876 N/A LEU 93.A N VAL 141.A O no hydrogen 2.821 N/A ASN 94.A N THR 15.A OG1 no hydrogen 2.886 N/A ASN 94.A ND2 THR 15.A O no hydrogen 3.038 N/A HIS 95.A N THR 15.A OG1 no hydrogen 3.342 N/A HIS 95.A ND1 THR 15.A OG1 no hydrogen 2.666 N/A HIS 95.A NE2 SER 121.A OG no hydrogen 2.665 N/A THR 97.A N ASN 118.A OD1 no hydrogen 2.816 N/A ASN 102.A N LEU 154.A O no hydrogen 3.224 N/A ASN 102.A ND2 SER 100.A OG no hydrogen 3.151 N/A ILE 108.A N ASP 106.A O no hydrogen 2.959 N/A HIS 110.A N ASP 107.A OD1 no hydrogen 3.085 N/A VAL 111.A N ASP 107.A O no hydrogen 3.286 N/A ARG 112.A N ILE 108.A O no hydrogen 2.965 N/A LYS 113.A N HIS 109.A O no hydrogen 2.921 N/A SER 114.A N HIS 110.A O no hydrogen 3.024 N/A SER 114.A OG HIS 110.A O no hydrogen 2.602 N/A MET 115.A N VAL 111.A O no hydrogen 3.011 N/A GLU 116.A N ARG 112.A O no hydrogen 2.865 N/A VAL 117.A N LYS 113.A O no hydrogen 2.855 N/A ASN 118.A N SER 114.A O no hydrogen 2.781 N/A ASN 118.A ND2 SER 161.A OG no hydrogen 3.209 N/A PHE 119.A N MET 115.A O no hydrogen 3.184 N/A LEU 120.A N MET 115.A O no hydrogen 2.924 N/A SER 121.A N GLU 116.A O no hydrogen 2.890 N/A SER 121.A OG HIS 95.A NE2 no hydrogen 2.665 N/A SER 121.A OG VAL 117.A O no hydrogen 2.524 N/A TYR 122.A N PHE 119.A O no hydrogen 2.993 N/A TYR 122.A OH HIS 95.A O no hydrogen 2.695 N/A VAL 123.A N PHE 119.A O no hydrogen 3.263 N/A VAL 124.A N LEU 120.A O no hydrogen 2.818 N/A LEU 125.A N SER 121.A O no hydrogen 2.842 N/A THR 126.A N TYR 122.A O no hydrogen 2.969 N/A THR 126.A OG1 TYR 122.A O no hydrogen 2.670 N/A VAL 127.A N VAL 123.A O no hydrogen 2.993 N/A ALA 128.A N VAL 124.A O no hydrogen 3.249 N/A ALA 129.A N LEU 125.A O no hydrogen 3.012 N/A LEU 130.A N THR 126.A O no hydrogen 2.789 N/A LEU 133.A N ALA 129.A O no hydrogen 2.945 N/A LYS 134.A N LEU 130.A O no hydrogen 3.006 N/A GLN 135.A N MET 132.A O no hydrogen 3.227 N/A SER 136.A N MET 132.A O no hydrogen 3.450 N/A SER 136.A OG LEU 88.A O no hydrogen 2.751 N/A SER 136.A OG MET 132.A O no hydrogen 3.370 N/A SER 136.A OG LEU 133.A O no hydrogen 3.330 N/A GLY 138.A N LEU 133.A O no hydrogen 2.743 N/A SER 139.A N ASP 89.A O no hydrogen 3.202 N/A SER 139.A OG SER 184.A OG no hydrogen 2.873 N/A ILE 140.A N SER 184.A O no hydrogen 2.749 N/A VAL 141.A N LEU 91.A O no hydrogen 2.766 N/A VAL 142.A N THR 186.A O no hydrogen 2.732 N/A VAL 143.A N LEU 93.A O no hydrogen 3.023 N/A SER 144.A N CYS 188.A O no hydrogen 2.751 N/A LEU 146.A N LEU 190.A O no hydrogen 2.893 N/A ALA 147.A N SER 145.A OG no hydrogen 2.879 N/A GLY 148.A N SER 145.A O no hydrogen 2.945 N/A LYS 149.A N LEU 146.A O no hydrogen 2.896 N/A LYS 149.A NZ ASP 166.A OD1 no hydrogen 3.331 N/A LYS 149.A NZ ASP 166.A OD2 no hydrogen 2.742 N/A LYS 149.A NZ GLU 225.A OE2 no hydrogen 2.776 N/A VAL 150.A N LEU 146.A O no hydrogen 2.861 N/A SER 159.A N VAL 155.A O no hydrogen 2.711 N/A SER 159.A OG ALA 147.A O no hydrogen 3.137 N/A SER 159.A OG VAL 155.A O no hydrogen 2.945 N/A ALA 160.A N ALA 156.A O no hydrogen 2.933 N/A SER 161.A N ALA 157.A O no hydrogen 3.075 N/A SER 161.A OG ALA 157.A O no hydrogen 3.420 N/A SER 161.A OG TYR 158.A O no hydrogen 2.692 N/A LYS 162.A N TYR 158.A O no hydrogen 2.978 N/A LYS 162.A NZ VAL 143.A O no hydrogen 2.659 N/A PHE 163.A N SER 159.A O no hydrogen 2.716 N/A ALA 164.A N ALA 160.A O no hydrogen 2.933 N/A LEU 165.A N SER 161.A O no hydrogen 3.125 N/A ASP 166.A N LYS 162.A O no hydrogen 3.372 N/A GLY 167.A N PHE 163.A O no hydrogen 3.159 N/A PHE 168.A N ALA 164.A O no hydrogen 2.990 N/A PHE 169.A N LEU 165.A O no hydrogen 2.884 N/A SER 170.A N ASP 166.A O no hydrogen 2.855 N/A SER 170.A OG ASP 166.A O no hydrogen 2.748 N/A SER 170.A OG ASP 166.A OD1 no hydrogen 2.812 N/A SER 171.A N GLY 167.A O no hydrogen 3.130 N/A ILE 172.A N PHE 168.A O no hydrogen 2.944 N/A ARG 173.A N PHE 169.A O no hydrogen 2.903 N/A ARG 173.A NE ILE 185.A O no hydrogen 3.099 N/A ARG 173.A NH2 ILE 185.A O no hydrogen 2.827 N/A LYS 174.A N SER 170.A O no hydrogen 3.358 N/A LYS 174.A NZ GLU 247.A OE1 no hydrogen 2.998 N/A GLU 175.A N SER 171.A O no hydrogen 3.059 N/A TYR 176.A N ILE 172.A O no hydrogen 2.749 N/A SER 177.A N ARG 173.A O no hydrogen 3.063 N/A VAL 178.A N LYS 174.A O no hydrogen 3.156 N/A SER 179.A N GLU 175.A O no hydrogen 2.766 N/A SER 179.A OG GLU 175.A O no hydrogen 2.737 N/A VAL 181.A N TYR 176.A O no hydrogen 2.878 N/A VAL 183.A N VAL 181.A O no hydrogen 2.966 N/A SER 184.A N GLY 138.A O no hydrogen 3.160 N/A THR 186.A N ILE 140.A O no hydrogen 2.799 N/A THR 186.A OG1 GLN 223.A O no hydrogen 2.630 N/A LEU 187.A N GLU 224.A O no hydrogen 2.796 N/A CYS 188.A N VAL 142.A O no hydrogen 2.937 N/A CYS 188.A SG VAL 142.A O no hydrogen 3.810 N/A VAL 189.A N VAL 226.A O no hydrogen 2.668 N/A GLY 191.A N TYR 228.A O no hydrogen 2.885 N/A ASP 194.A N ALA 206.A O no hydrogen 2.917 N/A ALA 198.A N THR 195.A OG1 no hydrogen 3.275 N/A MET 199.A N THR 195.A O no hydrogen 2.827 N/A LYS 200.A N GLU 196.A O no hydrogen 3.122 N/A ALA 201.A N THR 197.A O no hydrogen 2.957 N/A VAL 202.A N ALA 198.A O no hydrogen 2.941 N/A ALA 206.A N LEU 192.A O no hydrogen 2.977 N/A LYS 208.A N ASP 194.A OD1 no hydrogen 2.663 N/A CYS 211.A N PRO 207.A O no hydrogen 3.179 N/A ALA 212.A N LYS 208.A O no hydrogen 2.943 N/A LEU 213.A N GLU 209.A O no hydrogen 3.269 N/A GLU 214.A N GLU 210.A O no hydrogen 2.907 N/A ILE 215.A N CYS 211.A O no hydrogen 3.178 N/A ILE 216.A N ALA 212.A O no hydrogen 3.300 N/A LYS 217.A N LEU 213.A O no hydrogen 2.945 N/A GLY 218.A N GLU 214.A O no hydrogen 2.831 N/A GLY 219.A N ILE 215.A O no hydrogen 3.078 N/A ALA 220.A N ILE 216.A O no hydrogen 2.821 N/A LEU 221.A N LYS 217.A O no hydrogen 2.801 N/A ARG 222.A N GLY 219.A O no hydrogen 2.975 N/A ARG 222.A NH1 ASN 137.A O no hydrogen 2.749 N/A ARG 222.A NH1 GLY 138.A O no hydrogen 3.265 N/A ARG 222.A NH2 ASN 137.A O no hydrogen 3.539 N/A GLN 223.A N GLY 218.A O no hydrogen 3.017 N/A GLN 223.A NE2 GLU 225.A O no hydrogen 3.493 N/A VAL 226.A N LEU 187.A O no hydrogen 2.873 N/A TYR 227.A OH GLU 225.A OE1 no hydrogen 2.867 N/A TYR 228.A N VAL 189.A O no hydrogen 3.031 N/A TYR 228.A OH GLU 210.A OE2 no hydrogen 3.134 N/A SER 230.A OG GLN 204.A O no hydrogen 2.827 N/A SER 231.A N ASP 229.A OD1 no hydrogen 2.928 N/A TRP 233.A N SER 231.A OG no hydrogen 3.235 N/A THR 235.A OG1 SER 231.A O no hydrogen 3.461 N/A THR 235.A OG1 ARG 232.A O no hydrogen 2.901 N/A LEU 236.A N ARG 232.A O no hydrogen 3.144 N/A LEU 237.A N TRP 233.A O no hydrogen 3.227 N/A ILE 238.A N THR 235.A O no hydrogen 3.154 N/A ARG 243.A N ASN 240.A OD1 no hydrogen 3.448 N/A ARG 243.A NE GLU 247.A OE2 no hydrogen 2.806 N/A ARG 243.A NH1 ASP 166.A OD1 no hydrogen 2.894 N/A ARG 243.A NH2 ASP 166.A OD1 no hydrogen 3.303 N/A ARG 243.A NH2 ASP 166.A OD2 no hydrogen 2.974 N/A LYS 244.A N ASN 240.A O no hydrogen 3.283 N/A ILE 245.A N PRO 241.A O no hydrogen 2.954 N/A LEU 246.A N SER 242.A O no hydrogen 2.698 N/A GLU 247.A N ARG 243.A O no hydrogen 2.742 N/A GLU 248.A N LYS 244.A O no hydrogen 2.858 N/A LEU 249.A N ILE 245.A O no hydrogen 2.684 N/A TYR 250.A N GLU 247.A O no hydrogen 2.992 N/A SER 251.A N GLU 247.A O no hydrogen 3.307 N/A SER 251.A OG GLU 247.A O no hydrogen 3.506 N/A SER 251.A OG GLU 248.A O no hydrogen 3.168 N/A SER 251.A OG GLU 248.A OE2 no hydrogen 3.492 N/A THR 252.A N GLU 248.A O no hydrogen 3.014 N/A THR 252.A OG1 GLU 248.A O no hydrogen 2.923 N/A SER 253.A N TYR 250.A O no hydrogen 3.035 N/A SER 253.A OG LEU 249.A O no hydrogen 2.635 N/A TYR 254.A N TYR 250.A O no hydrogen 2.903 N/A