Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rf1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH HIS 110.A NE2 no hydrogen 2.700 N/A GLN 5.A NE2 GLN 171.A OE1 no hydrogen 2.777 N/A GLN 5.A NE2 ASP 178.A O no hydrogen 3.163 N/A ASN 7.A N PHE 4.A O no hydrogen 3.348 N/A ALA 8.A N GLN 5.A O no hydrogen 3.416 N/A THR 9.A OG1 TRP 181.A O no hydrogen 3.327 N/A PHE 10.A N VAL 180.A O no hydrogen 2.811 N/A SER 11.A N TRP 181.A O no hydrogen 2.986 N/A SER 11.A OG TRP 181.A O no hydrogen 2.735 N/A GLN 12.A N THR 9.A OG1 no hydrogen 3.352 N/A LEU 14.A N SER 11.A O no hydrogen 3.110 N/A ASN 15.A N GLN 12.A O no hydrogen 2.752 N/A ASN 15.A ND2 ASN 102.A O no hydrogen 3.186 N/A GLN 17.A N ILE 13.A O no hydrogen 3.060 N/A ASN 18.A N LEU 14.A O no hydrogen 2.884 N/A TYR 19.A N ASN 15.A O no hydrogen 2.798 N/A TYR 19.A OH LEU 95.A O no hydrogen 2.439 N/A TRP 20.A N LEU 16.A O no hydrogen 2.876 N/A TRP 20.A NE1 TYR 162.A OH no hydrogen 2.985 N/A GLN 21.A N GLN 17.A O no hydrogen 3.005 N/A GLU 22.A N ASN 18.A O no hydrogen 3.243 N/A GLN 23.A N TRP 20.A O no hydrogen 3.047 N/A GLN 23.A NE2 TYR 19.A O no hydrogen 2.937 N/A GLY 24.A N GLN 21.A O no hydrogen 3.025 N/A CYS 25.A N TRP 20.A O no hydrogen 3.071 N/A ALA 26.A N ALA 53.A O no hydrogen 2.906 N/A TYR 30.A OH ASP 240.A OD1 no hydrogen 3.318 N/A TYR 30.A OH ASP 240.A OD2 no hydrogen 2.515 N/A GLY 36.A N GLN 80.A OE1 no hydrogen 2.770 N/A THR 37.A OG1 GLU 159.A OE2 no hydrogen 2.551 N/A PHE 38.A N ALA 35.A O no hydrogen 2.957 N/A HIS 39.A N GLY 36.A O no hydrogen 3.021 N/A HIS 39.A NE2 GLN 28.A O no hydrogen 2.927 N/A ALA 41.A N HIS 39.A ND1 no hydrogen 2.909 N/A THR 42.A N HIS 39.A O no hydrogen 2.756 N/A THR 42.A OG1 TYR 56.A OH no hydrogen 2.667 N/A PHE 43.A N HIS 39.A O no hydrogen 3.023 N/A LEU 44.A N PRO 40.A O no hydrogen 3.045 N/A ARG 45.A N PRO 40.A O no hydrogen 3.165 N/A SER 46.A N THR 42.A O no hydrogen 3.006 N/A SER 46.A OG THR 42.A O no hydrogen 3.138 N/A SER 46.A OG PHE 43.A O no hydrogen 2.735 N/A LEU 47.A N LEU 44.A O no hydrogen 3.000 N/A TRP 52.A N LYS 86.A O no hydrogen 3.083 N/A TRP 52.A NE1 ALA 41.A O no hydrogen 3.032 N/A ALA 54.A N LEU 84.A O no hydrogen 2.841 N/A ALA 55.A N ALA 26.A O no hydrogen 3.403 N/A TYR 56.A N GLN 82.A O no hydrogen 2.924 N/A TYR 56.A OH GLY 36.A O no hydrogen 2.766 N/A TYR 56.A OH THR 42.A OG1 no hydrogen 2.667 N/A ALA 58.A N GLN 80.A O no hydrogen 2.839 N/A SER 60.A N TYR 78.A O no hydrogen 2.749 N/A SER 60.A OG ALA 58.A O no hydrogen 2.869 N/A ARG 61.A N ALA 33.A O no hydrogen 2.784 N/A ARG 62.A N GLY 76.A O no hydrogen 2.735 N/A ARG 62.A NE GLY 34.A O no hydrogen 2.978 N/A ARG 62.A NH2 GLY 34.A O no hydrogen 3.316 N/A ASP 65.A N ARG 62.A O no hydrogen 2.762 N/A GLY 66.A N PRO 63.A O no hydrogen 3.322 N/A ARG 67.A NH2 THR 64.A O no hydrogen 2.995 N/A ARG 67.A NH2 GLY 66.A O no hydrogen 3.037 N/A TYR 68.A N SER 203.A OG no hydrogen 2.899 N/A TYR 68.A OH GLU 208.A OE1 no hydrogen 2.379 N/A GLU 70.A N ARG 67.A O no hydrogen 2.966 N/A ASN 73.A N ASN 71.A OD1 no hydrogen 2.705 N/A ARG 74.A N ASN 71.A OD1 no hydrogen 2.800 N/A ARG 74.A NE ASP 65.A OD1 no hydrogen 3.310 N/A GLY 76.A N GLU 199.A OE1 no hydrogen 2.785 N/A TYR 78.A N SER 60.A O no hydrogen 2.927 N/A TYR 79.A N GLU 165.A OE2 no hydrogen 2.899 N/A TYR 79.A OH HIS 195.A NE2 no hydrogen 2.716 N/A GLN 80.A N ALA 58.A O no hydrogen 3.156 N/A GLN 80.A NE2 TYR 78.A OH no hydrogen 2.729 N/A PHE 81.A N TYR 162.A O no hydrogen 3.190 N/A GLN 82.A N TYR 56.A O no hydrogen 2.761 N/A GLN 82.A NE2 THR 42.A OG1 no hydrogen 3.172 N/A GLN 82.A NE2 GLU 159.A OE2 no hydrogen 2.737 N/A VAL 83.A N ILE 160.A O no hydrogen 2.774 N/A LEU 84.A N ALA 54.A O no hydrogen 2.841 N/A ILE 85.A N ALA 158.A O no hydrogen 2.970 N/A LYS 86.A N TRP 52.A O no hydrogen 2.789 N/A LYS 86.A NZ ARG 45.A O no hydrogen 2.793 N/A LYS 86.A NZ LEU 47.A O no hydrogen 2.869 N/A LYS 86.A NZ GLY 48.A O no hydrogen 2.973 N/A LYS 86.A NZ LYS 50.A O no hydrogen 2.837 N/A SER 88.A N VAL 156.A O no hydrogen 3.110 N/A SER 88.A OG VAL 156.A O no hydrogen 3.414 N/A LEU 95.A N ASN 91.A O no hydrogen 2.876 N/A TYR 96.A N ILE 92.A O no hydrogen 3.094 N/A TYR 96.A OH THR 140.A OG1 no hydrogen 2.556 N/A LEU 97.A N GLN 93.A O no hydrogen 2.903 N/A LYS 98.A N GLU 94.A O no hydrogen 2.809 N/A SER 99.A N LEU 95.A O no hydrogen 3.179 N/A SER 99.A OG TYR 96.A O no hydrogen 2.520 N/A SER 99.A OG TYR 162.A OH no hydrogen 2.702 N/A LEU 100.A N TYR 96.A O no hydrogen 3.176 N/A GLU 101.A N LEU 97.A O no hydrogen 3.258 N/A GLU 101.A N LYS 98.A O no hydrogen 2.964 N/A ASN 102.A N LYS 98.A O no hydrogen 2.923 N/A LEU 103.A N SER 99.A O no hydrogen 3.229 N/A GLY 104.A N GLU 101.A O no hydrogen 3.003 N/A PHE 105.A N LEU 100.A O no hydrogen 3.214 N/A ASP 106.A N TYR 3.A OH no hydrogen 2.668 N/A SER 109.A OG ASP 106.A OD2 no hydrogen 2.904 N/A HIS 110.A N LEU 107.A O no hydrogen 2.985 N/A HIS 110.A ND1 ASP 136.A OD1 no hydrogen 3.064 N/A HIS 110.A NE2 TYR 3.A OH no hydrogen 2.700 N/A ASP 111.A N ASP 136.A OD2 no hydrogen 3.116 N/A ARG 113.A N TRP 134.A O no hydrogen 2.936 N/A ARG 113.A NE ASP 111.A OD2 no hydrogen 3.034 N/A VAL 115.A N GLU 132.A O no hydrogen 2.864 N/A ASP 117.A N GLY 130.A O no hydrogen 2.808 N/A TRP 119.A N GLY 128.A O no hydrogen 2.813 N/A SER 121.A N ALA 126.A O no hydrogen 2.928 N/A LEU 124.A N SER 121.A O no hydrogen 2.952 N/A ALA 126.A N SER 121.A O no hydrogen 2.905 N/A TRP 127.A N GLN 147.A O no hydrogen 2.927 N/A GLY 128.A N TRP 119.A O no hydrogen 2.896 N/A LEU 129.A N TYR 144.A O no hydrogen 3.099 N/A GLY 130.A N ASN 118.A OD1 no hydrogen 3.324 N/A TRP 131.A N PHE 142.A O no hydrogen 2.794 N/A GLU 132.A N VAL 115.A O no hydrogen 2.716 N/A VAL 133.A N THR 140.A O no hydrogen 2.772 N/A TRP 134.A N ARG 113.A O no hydrogen 2.820 N/A TRP 134.A NE1 GLU 132.A OE2 no hydrogen 3.192 N/A ASP 136.A N ASP 111.A O no hydrogen 3.121 N/A VAL 139.A N VAL 133.A O no hydrogen 2.867 N/A THR 140.A OG1 TYR 96.A OH no hydrogen 2.556 N/A THR 140.A OG1 VAL 139.A O no hydrogen 2.498 N/A GLN 141.A N THR 161.A O no hydrogen 2.961 N/A GLN 141.A NE2 GLU 138.A OE2 no hydrogen 3.135 N/A PHE 142.A N TRP 131.A O no hydrogen 2.864 N/A THR 143.A N GLU 159.A O no hydrogen 2.899 N/A TYR 144.A N LEU 129.A O no hydrogen 2.718 N/A PHE 145.A N SER 157.A O no hydrogen 2.898 N/A GLN 146.A N TRP 127.A O no hydrogen 2.950 N/A GLN 146.A NE2 PHE 145.A O no hydrogen 3.466 N/A GLN 147.A N TRP 127.A O no hydrogen 3.053 N/A GLN 147.A NE2 GLY 125.A O no hydrogen 2.808 N/A VAL 148.A N ILE 151.A O no hydrogen 2.748 N/A GLY 149.A N LEU 124.A O no hydrogen 2.749 N/A GLY 150.A N GLY 125.A O no hydrogen 2.814 N/A ILE 151.A N VAL 148.A O no hydrogen 2.789 N/A VAL 153.A N GLN 146.A O no hydrogen 3.005 N/A ALA 158.A N ILE 85.A O no hydrogen 2.817 N/A GLU 159.A N THR 143.A O no hydrogen 2.800 N/A ILE 160.A N VAL 83.A O no hydrogen 2.766 N/A THR 161.A N GLN 141.A O no hydrogen 2.912 N/A THR 161.A OG1 GLN 82.A OE1 no hydrogen 2.969 N/A TYR 162.A N PHE 81.A O no hydrogen 2.893 N/A TYR 162.A OH SER 99.A OG no hydrogen 2.702 N/A GLY 163.A N VAL 139.A O no hydrogen 3.109 N/A LEU 164.A N TYR 79.A O no hydrogen 3.288 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.708 N/A ILE 167.A N GLY 163.A O no hydrogen 3.036 N/A ALA 168.A N LEU 164.A O no hydrogen 2.785 N/A LEU 170.A N ILE 167.A O no hydrogen 3.055 N/A GLN 171.A N ALA 168.A O no hydrogen 2.910 N/A GLN 171.A NE2 VAL 180.A O no hydrogen 3.114 N/A ASN 172.A N TYR 169.A O no hydrogen 3.145 N/A ASN 172.A ND2 TYR 3.A O no hydrogen 3.577 N/A VAL 176.A N PRO 72.A O no hydrogen 2.953 N/A TYR 177.A N ASN 175.A OD1 no hydrogen 2.924 N/A ASP 178.A N ASN 175.A O no hydrogen 3.018 N/A ILE 179.A N VAL 176.A O no hydrogen 3.109 N/A VAL 180.A N GLN 171.A OE1 no hydrogen 2.733 N/A TRP 181.A N ILE 189.A O no hydrogen 2.734 N/A SER 182.A N ILE 189.A O no hydrogen 3.434 N/A PHE 184.A N GLU 187.A O no hydrogen 2.911 N/A GLY 186.A N GLU 183.A OE2 no hydrogen 2.667 N/A GLU 187.A N PHE 184.A O no hydrogen 2.854 N/A ILE 189.A N SER 182.A O no hydrogen 2.899 N/A LYS 190.A N ASP 193.A OD2 no hydrogen 2.830 N/A TYR 191.A N ILE 179.A O no hydrogen 2.980 N/A TYR 191.A OH GLU 165.A OE2 no hydrogen 2.543 N/A ALA 192.A N TYR 177.A O no hydrogen 3.029 N/A VAL 194.A N LYS 190.A O no hydrogen 3.161 N/A VAL 194.A N TYR 191.A O no hydrogen 2.930 N/A HIS 195.A N TYR 191.A O no hydrogen 2.692 N/A HIS 195.A ND1 SER 198.A OG no hydrogen 3.301 N/A HIS 195.A NE2 TYR 79.A OH no hydrogen 2.716 N/A LYS 196.A N ALA 192.A O no hydrogen 2.980 N/A LYS 196.A NZ GLY 69.A O no hydrogen 3.090 N/A GLN 197.A NE2 GLU 201.A OE1 no hydrogen 3.360 N/A SER 198.A OG HIS 195.A ND1 no hydrogen 3.301 N/A SER 198.A OG HIS 195.A O no hydrogen 2.851 N/A GLU 199.A N HIS 195.A O no hydrogen 2.937 N/A TYR 200.A N LYS 196.A O no hydrogen 3.138 N/A GLU 201.A N GLN 197.A O no hydrogen 2.908 N/A PHE 202.A N SER 198.A O no hydrogen 2.771 N/A SER 203.A N GLU 199.A O no hydrogen 3.139 N/A SER 203.A OG GLU 199.A O no hydrogen 3.058 N/A LYS 204.A N TYR 200.A O no hydrogen 3.116 N/A LYS 204.A NZ GLU 208.A OE2 no hydrogen 3.397 N/A TYR 205.A N GLU 201.A O no hydrogen 2.944 N/A ASN 206.A N PHE 202.A O no hydrogen 2.792 N/A PHE 207.A N SER 203.A O no hydrogen 2.870 N/A GLU 208.A N LYS 204.A O no hydrogen 2.914 N/A VAL 209.A N TYR 205.A O no hydrogen 2.920 N/A SER 210.A N TYR 205.A O no hydrogen 3.006 N/A ILE 214.A N ASP 211.A OD2 no hydrogen 3.200 N/A LEU 215.A N ASP 211.A O no hydrogen 2.848 N/A ASN 216.A N VAL 212.A O no hydrogen 2.834 N/A ASN 216.A ND2 VAL 212.A O no hydrogen 2.879 N/A GLU 217.A N LYS 213.A O no hydrogen 3.057 N/A GLN 218.A N ILE 214.A O no hydrogen 2.829 N/A GLN 218.A NE2 THR 247.A OG1 no hydrogen 3.060 N/A PHE 219.A N LEU 215.A O no hydrogen 2.879 N/A GLU 220.A N ASN 216.A O no hydrogen 2.940 N/A ASN 221.A N GLU 217.A O no hydrogen 2.745 N/A SER 222.A N GLN 218.A O no hydrogen 2.957 N/A SER 222.A OG GLN 218.A O no hydrogen 2.835 N/A TYR 223.A N PHE 219.A O no hydrogen 2.950 N/A TYR 223.A OH GLU 270.A OE1 no hydrogen 2.666 N/A TYR 223.A OH GLU 270.A OE2 no hydrogen 3.155 N/A LYS 224.A N GLU 220.A O no hydrogen 2.909 N/A GLU 225.A N ASN 221.A O no hydrogen 2.823 N/A CYS 226.A N SER 222.A O no hydrogen 2.958 N/A CYS 226.A SG ALA 238.A O no hydrogen 3.286 N/A LYS 227.A N TYR 223.A O no hydrogen 3.034 N/A LYS 227.A NZ TYR 223.A OH no hydrogen 2.940 N/A LYS 227.A NZ GLU 270.A OE2 no hydrogen 3.361 N/A ASN 228.A N LYS 224.A O no hydrogen 2.758 N/A ASN 228.A ND2 GLU 225.A OE1 no hydrogen 3.153 N/A ILE 229.A N GLU 225.A O no hydrogen 2.885 N/A LEU 230.A N CYS 226.A O no hydrogen 3.012 N/A GLU 231.A N LYS 227.A O no hydrogen 3.003 N/A GLN 232.A N ILE 229.A O no hydrogen 2.899 N/A GLY 233.A N LEU 230.A O no hydrogen 2.896 N/A LEU 234.A N ILE 229.A O no hydrogen 3.501 N/A TYR 239.A N ALA 235.A O no hydrogen 2.715 N/A TYR 239.A OH PHE 38.A O no hydrogen 2.643 N/A ASP 240.A N LEU 236.A O no hydrogen 3.381 N/A CYS 242.A N ALA 238.A O no hydrogen 3.120 N/A ALA 244.A N TYR 241.A O no hydrogen 2.957 N/A ALA 245.A N CYS 242.A O no hydrogen 2.930 N/A THR 247.A N LEU 243.A O no hydrogen 2.800 N/A THR 247.A OG1 LEU 243.A O no hydrogen 2.582 N/A PHE 248.A N ALA 244.A O no hydrogen 2.979 N/A ASN 249.A N ALA 245.A O no hydrogen 3.158 N/A LEU 250.A N HIS 246.A O no hydrogen 3.044 N/A LEU 251.A N THR 247.A O no hydrogen 2.908 N/A ASP 252.A N PHE 248.A O no hydrogen 2.761 N/A ALA 253.A N ASN 249.A O no hydrogen 2.885 N/A ARG 254.A N LEU 250.A O no hydrogen 2.988 N/A ARG 254.A NE SER 210.A O no hydrogen 2.925 N/A ARG 254.A NE SER 210.A OG no hydrogen 3.269 N/A ARG 254.A NH2 SER 210.A O no hydrogen 2.795 N/A GLY 255.A N ASP 252.A O no hydrogen 3.058 N/A ALA 256.A N LEU 251.A O no hydrogen 3.025 N/A SER 258.A N GLN 261.A OE1 no hydrogen 3.166 N/A ARG 262.A N SER 258.A O no hydrogen 2.581 N/A ARG 262.A NH1 ASP 252.A OD1 no hydrogen 3.142 N/A ARG 262.A NH2 ASP 252.A OD2 no hydrogen 2.705 N/A GLN 263.A N VAL 259.A O no hydrogen 3.318 N/A ASP 264.A N ALA 260.A O no hydrogen 3.341 N/A TYR 265.A N GLN 261.A O no hydrogen 2.812 N/A TYR 265.A OH ASN 216.A OD1 no hydrogen 2.635 N/A LYS 267.A N ASP 264.A O no hydrogen 3.101 N/A ILE 268.A N TYR 265.A O no hydrogen 2.770 N/A ARG 269.A NH1 PRO 122.A O no hydrogen 3.012 N/A GLU 270.A N LEU 266.A O no hydrogen 2.955 N/A LEU 271.A N LYS 267.A O no hydrogen 2.912 N/A SER 272.A N ILE 268.A O no hydrogen 2.975 N/A SER 272.A OG SER 123.A O no hydrogen 2.661 N/A SER 272.A OG ILE 268.A O no hydrogen 3.356 N/A SER 272.A OG ARG 269.A O no hydrogen 3.101 N/A LYS 273.A N ARG 269.A O no hydrogen 2.941 N/A ASN 274.A N GLU 270.A O no hydrogen 2.999 N/A CYS 275.A N LEU 271.A O no hydrogen 2.779 N/A CYS 275.A SG LEU 271.A O no hydrogen 3.312 N/A ALA 276.A N SER 272.A O no hydrogen 2.946 N/A GLU 277.A N LYS 273.A O no hydrogen 2.861 N/A ILE 278.A N ASN 274.A O no hydrogen 2.991 N/A TYR 279.A N CYS 275.A O no hydrogen 2.929 N/A LYS 280.A N ALA 276.A O no hydrogen 2.848 N/A LYS 280.A NZ ASP 154.A OD2 no hydrogen 3.526 N/A LYS 281.A N GLU 277.A O no hydrogen 2.832 N/A ASN 282.A N ILE 278.A O no hydrogen 2.988 N/A ASN 282.A ND2 GLY 233.A O no hydrogen 2.683 N/A LEU 283.A N TYR 279.A O no hydrogen 3.220 N/A LEU 283.A N LYS 280.A O no hydrogen 3.151 N/A