Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gu8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ASP 3.A OD1 no hydrogen 3.145 N/A LYS 6.A NZ ALA 276.A O no hydrogen 3.556 N/A LYS 6.A NZ PRO 278.A O no hydrogen 2.481 N/A THR 7.A OG1 ASP 174.A OD1 no hydrogen 3.068 N/A SER 8.A N THR 5.A O no hydrogen 3.395 N/A SER 8.A OG ASP 174.A OD1 no hydrogen 2.726 N/A SER 8.A OG ASP 174.A OD2 no hydrogen 2.762 N/A LYS 9.A N ASP 145.A OD1 no hydrogen 2.964 N/A PHE 11.A N SER 8.A O no hydrogen 3.038 N/A ASN 12.A ND2 ALA 144.A O no hydrogen 2.844 N/A ASN 12.A ND2 GLY 146.A O no hydrogen 2.875 N/A ASN 13.A ND2 ARG 39.A O no hydrogen 2.924 N/A LEU 14.A N ASN 12.A OD1 no hydrogen 3.238 N/A GLN 15.A N TRP 34.A O no hydrogen 2.990 N/A GLN 15.A NE2 ALA 123.A O no hydrogen 3.364 N/A HIS 16.A N GLN 142.A O no hydrogen 2.796 N/A HIS 16.A NE2 GLU 30.A OE1 no hydrogen 2.803 N/A HIS 16.A NE2 GLU 30.A OE2 no hydrogen 2.787 N/A VAL 17.A N GLY 32.A O no hydrogen 2.901 N/A GLN 18.A N LYS 140.A O no hydrogen 2.823 N/A ASN 19.A N HIS 29.A O no hydrogen 2.870 N/A ASN 19.A ND2 GLY 138.A O no hydrogen 3.232 N/A GLN 20.A N GLY 138.A O no hydrogen 3.216 N/A GLN 20.A NE2 SER 24.A O no hydrogen 3.052 N/A GLN 20.A NE2 ALA 26.A O no hydrogen 2.874 N/A ALA 26.A N GLY 23.A O no hydrogen 3.225 N/A HIS 29.A N ASN 19.A O no hydrogen 2.680 N/A GLY 31.A N VAL 17.A O no hydrogen 2.833 N/A GLY 32.A N GLU 30.A OE2 no hydrogen 3.111 N/A MET 33.A N ASN 214.A OD1 no hydrogen 2.775 N/A TRP 34.A N GLN 15.A O no hydrogen 2.863 N/A TRP 34.A NE1 GLY 31.A O no hydrogen 3.030 N/A VAL 35.A N VAL 102.A O no hydrogen 2.970 N/A LEU 36.A N ASN 13.A O no hydrogen 2.883 N/A CYS 38.A N TYR 64.A OH no hydrogen 3.085 N/A CYS 38.A SG TYR 64.A OH no hydrogen 3.626 N/A CYS 38.A SG GLY 98.A O no hydrogen 3.271 N/A ARG 39.A NH1 GLN 42.A OE1 no hydrogen 3.032 N/A ARG 39.A NH1 GLU 67.A OE2 no hydrogen 2.807 N/A GLN 42.A NE2 VAL 65.A O no hydrogen 2.883 N/A GLN 42.A NE2 GLU 67.A OE2 no hydrogen 2.770 N/A ASN 43.A ND2 GLY 10.A O no hydrogen 2.940 N/A VAL 45.A N THR 63.A O no hydrogen 2.820 N/A ALA 46.A N THR 63.A O no hydrogen 3.362 N/A LEU 47.A N ILE 116.A O no hydrogen 3.029 N/A ASN 48.A N THR 61.A O no hydrogen 3.054 N/A ILE 49.A N LEU 114.A O no hydrogen 2.811 N/A LYS 50.A N THR 59.A O no hydrogen 2.913 N/A SER 51.A N VAL 112.A O no hydrogen 2.830 N/A SER 51.A OG ASP 53.A OD1 no hydrogen 2.767 N/A SER 51.A OG THR 57.A O no hydrogen 2.780 N/A ASP 53.A N SER 51.A OG no hydrogen 3.221 N/A GLY 55.A N SER 51.A OG no hydrogen 2.810 N/A THR 57.A N ASP 53.A OD1 no hydrogen 2.990 N/A THR 57.A OG1 ASP 53.A OD1 no hydrogen 3.271 N/A THR 57.A OG1 ASP 53.A OD2 no hydrogen 2.609 N/A LEU 58.A N ALA 74.A O no hydrogen 3.021 N/A THR 59.A N LYS 50.A O no hydrogen 2.856 N/A GLY 60.A N PHE 72.A O no hydrogen 2.975 N/A THR 61.A N ASN 48.A O no hydrogen 3.010 N/A MET 62.A N ILE 70.A O no hydrogen 3.052 N/A THR 63.A N ALA 46.A O no hydrogen 2.838 N/A VAL 65.A N ASN 43.A O no hydrogen 2.839 N/A GLU 67.A N TYR 64.A O no hydrogen 3.114 N/A ILE 70.A N MET 62.A O no hydrogen 2.855 N/A GLY 71.A N GLN 87.A O no hydrogen 2.680 N/A PHE 72.A N GLY 60.A O no hydrogen 2.896 N/A ARG 73.A N GLU 85.A O no hydrogen 3.091 N/A ARG 73.A NE GLU 85.A OE1 no hydrogen 2.822 N/A ARG 73.A NH2 GLU 85.A OE1 no hydrogen 2.872 N/A ARG 73.A NH2 GLU 85.A OE2 no hydrogen 3.514 N/A ALA 74.A N LEU 58.A O no hydrogen 2.831 N/A THR 75.A N ALA 83.A O no hydrogen 3.037 N/A LEU 76.A N ARG 56.A O no hydrogen 2.951 N/A THR 77.A N THR 81.A O no hydrogen 2.761 N/A THR 77.A OG1 GLN 78.A OE1 no hydrogen 3.521 N/A THR 77.A OG1 THR 81.A O no hydrogen 3.080 N/A SER 79.A N CYS 238.A O no hydrogen 2.822 N/A ASN 80.A ND2 ARG 106.A O no hydrogen 3.671 N/A THR 81.A N GLN 78.A O no hydrogen 3.018 N/A THR 81.A OG1 SER 79.A O no hydrogen 2.766 N/A TYR 82.A N TRP 101.A O no hydrogen 2.767 N/A TYR 82.A OH GLY 55.A O no hydrogen 2.755 N/A ALA 83.A N THR 75.A O no hydrogen 2.944 N/A VAL 84.A N GLY 99.A O no hydrogen 2.867 N/A GLU 85.A N ARG 73.A O no hydrogen 2.895 N/A ASN 86.A N HIS 96.A O no hydrogen 2.849 N/A ASN 86.A ND2 GLY 71.A O no hydrogen 3.247 N/A GLN 87.A N GLY 71.A O no hydrogen 2.955 N/A GLN 87.A NE2 SER 91.A O no hydrogen 3.197 N/A GLN 87.A NE2 ALA 93.A O no hydrogen 2.829 N/A ALA 93.A N GLY 90.A O no hydrogen 3.047 N/A HIS 96.A N ASN 86.A O no hydrogen 2.781 N/A GLY 98.A N VAL 84.A O no hydrogen 2.782 N/A TRP 101.A N TYR 82.A O no hydrogen 2.917 N/A TRP 101.A NE1 GLY 98.A O no hydrogen 2.861 N/A VAL 102.A N VAL 35.A O no hydrogen 3.061 N/A ILE 103.A N ASN 80.A O no hydrogen 2.826 N/A CYS 105.A N TYR 131.A OH no hydrogen 3.177 N/A CYS 105.A SG GLY 31.A O no hydrogen 3.029 N/A CYS 105.A SG TYR 131.A OH no hydrogen 3.658 N/A ARG 106.A NH1 GLN 109.A OE1 no hydrogen 2.947 N/A ARG 106.A NH1 GLU 134.A OE1 no hydrogen 3.516 N/A ARG 106.A NH1 GLU 134.A OE2 no hydrogen 2.996 N/A ASN 108.A N SER 240.A OG no hydrogen 3.220 N/A GLN 109.A NE2 ALA 132.A O no hydrogen 2.737 N/A GLN 109.A NE2 GLU 134.A OE2 no hydrogen 2.959 N/A VAL 112.A N THR 130.A O no hydrogen 2.786 N/A ALA 113.A N THR 130.A O no hydrogen 3.316 N/A LEU 114.A N ILE 49.A O no hydrogen 2.917 N/A ASP 115.A N THR 128.A O no hydrogen 2.986 N/A ILE 116.A N LEU 47.A O no hydrogen 2.895 N/A GLU 117.A N ALA 126.A O no hydrogen 2.981 N/A SER 118.A N VAL 45.A O no hydrogen 2.781 N/A SER 118.A OG ASP 120.A OD1 no hydrogen 2.778 N/A SER 118.A OG THR 124.A O no hydrogen 2.782 N/A ASP 120.A N SER 118.A OG no hydrogen 3.276 N/A GLY 122.A N SER 118.A OG no hydrogen 2.789 N/A THR 124.A N ASP 120.A OD1 no hydrogen 2.903 N/A THR 124.A OG1 ASP 120.A OD1 no hydrogen 3.295 N/A THR 124.A OG1 ASP 120.A OD2 no hydrogen 2.550 N/A LEU 125.A N SER 141.A O no hydrogen 3.030 N/A ALA 126.A N GLU 117.A O no hydrogen 2.881 N/A GLY 127.A N PHE 139.A O no hydrogen 2.955 N/A THR 128.A N ASP 115.A O no hydrogen 3.030 N/A MET 129.A N ILE 137.A O no hydrogen 3.074 N/A THR 130.A N ALA 113.A O no hydrogen 2.811 N/A ALA 132.A N GLN 110.A O no hydrogen 2.818 N/A ILE 137.A N MET 129.A O no hydrogen 2.815 N/A GLY 138.A N GLN 20.A O no hydrogen 2.967 N/A PHE 139.A N GLY 127.A O no hydrogen 2.838 N/A LYS 140.A N GLN 18.A O no hydrogen 3.152 N/A SER 141.A N LEU 125.A O no hydrogen 2.862 N/A SER 141.A OG GLN 15.A OE1 no hydrogen 2.473 N/A GLN 142.A N HIS 16.A O no hydrogen 2.996 N/A GLN 143.A N ALA 123.A O no hydrogen 2.815 N/A GLY 146.A N THR 7.A O no hydrogen 2.689 N/A GLY 147.A N ILE 170.A O no hydrogen 3.146 N/A TYR 149.A N TRP 168.A O no hydrogen 2.817 N/A TYR 149.A OH GLY 255.A O no hydrogen 2.524 N/A ALA 150.A N MET 275.A O no hydrogen 2.933 N/A VAL 151.A N GLY 166.A O no hydrogen 2.811 N/A GLU 152.A N ARG 273.A O no hydrogen 2.967 N/A ASN 153.A N HIS 163.A O no hydrogen 2.870 N/A ASN 153.A ND2 GLY 271.A O no hydrogen 3.091 N/A GLN 154.A N GLY 271.A O no hydrogen 3.332 N/A GLN 154.A NE2 SER 158.A O no hydrogen 3.492 N/A GLN 154.A NE2 ALA 160.A O no hydrogen 2.623 N/A HIS 163.A N ASN 153.A O no hydrogen 2.952 N/A GLY 165.A N VAL 151.A O no hydrogen 2.766 N/A GLY 166.A N ASN 164.A OD1 no hydrogen 2.947 N/A TRP 168.A N TYR 149.A O no hydrogen 2.902 N/A TRP 168.A NE1 GLY 165.A O no hydrogen 2.924 N/A VAL 169.A N LEU 235.A O no hydrogen 2.916 N/A ILE 170.A N GLY 147.A O no hydrogen 2.839 N/A ALA 172.A N TYR 197.A OH no hydrogen 2.943 N/A ARG 173.A NH1 GLN 175.A OE1 no hydrogen 3.058 N/A ARG 173.A NH1 GLU 200.A OE1 no hydrogen 3.277 N/A GLN 175.A NE2 ALA 198.A O no hydrogen 2.668 N/A GLN 175.A NE2 GLU 200.A OE2 no hydrogen 3.120 N/A VAL 178.A N THR 196.A O no hydrogen 2.802 N/A ALA 179.A N THR 196.A O no hydrogen 3.455 N/A VAL 180.A N ILE 249.A O no hydrogen 2.925 N/A SER 181.A N ASN 194.A O no hydrogen 2.941 N/A ILE 182.A N LEU 247.A O no hydrogen 2.893 N/A GLY 183.A N ASN 192.A O no hydrogen 2.947 N/A SER 184.A N VAL 245.A O no hydrogen 2.819 N/A SER 184.A OG ASP 186.A OD1 no hydrogen 2.755 N/A SER 184.A OG THR 190.A O no hydrogen 2.823 N/A ASP 186.A N SER 184.A OG no hydrogen 3.251 N/A GLY 188.A N SER 184.A OG no hydrogen 2.858 N/A LYS 189.A N ASP 186.A O no hydrogen 3.405 N/A LYS 189.A NZ ASN 208.A OD1 no hydrogen 3.519 N/A THR 190.A N ASP 186.A OD1 no hydrogen 2.889 N/A THR 190.A OG1 ASP 186.A OD1 no hydrogen 3.265 N/A THR 190.A OG1 ASP 186.A OD2 no hydrogen 2.590 N/A LEU 191.A N GLY 207.A O no hydrogen 2.933 N/A ASN 192.A N GLY 183.A O no hydrogen 2.839 N/A GLY 193.A N PHE 205.A O no hydrogen 2.982 N/A ASN 194.A N SER 181.A O no hydrogen 2.991 N/A MET 195.A N ILE 203.A O no hydrogen 2.976 N/A THR 196.A N ALA 179.A O no hydrogen 2.844 N/A ALA 198.A N ALA 176.A O no hydrogen 2.693 N/A GLU 200.A N TYR 197.A O no hydrogen 3.132 N/A ILE 203.A N MET 195.A O no hydrogen 2.806 N/A GLY 204.A N GLN 220.A O no hydrogen 2.886 N/A PHE 205.A N GLY 193.A O no hydrogen 2.811 N/A LYS 206.A N GLU 218.A O no hydrogen 3.000 N/A GLY 207.A N LEU 191.A O no hydrogen 2.788 N/A ASN 208.A N ALA 216.A O no hydrogen 2.901 N/A SER 209.A N LYS 189.A O no hydrogen 2.877 N/A SER 209.A OG GLY 212.A O no hydrogen 2.799 N/A VAL 210.A N ASN 214.A O no hydrogen 2.929 N/A ALA 211.A N ASN 214.A O no hydrogen 3.434 N/A ASN 213.A ND2 ARG 239.A O no hydrogen 3.317 N/A ASN 214.A N ALA 211.A O no hydrogen 2.958 N/A ASN 214.A ND2 ALA 211.A O no hydrogen 2.882 N/A TYR 215.A N TRP 234.A O no hydrogen 2.740 N/A TYR 215.A OH GLY 188.A O no hydrogen 2.620 N/A ALA 216.A N ASN 208.A O no hydrogen 2.778 N/A VAL 217.A N GLY 232.A O no hydrogen 2.847 N/A GLU 218.A N LYS 206.A O no hydrogen 2.706 N/A ASN 219.A N HIS 229.A O no hydrogen 2.824 N/A ASN 219.A ND2 GLY 204.A O no hydrogen 3.054 N/A GLN 220.A N GLY 204.A O no hydrogen 3.295 N/A GLN 220.A NE2 THR 224.A O no hydrogen 2.985 N/A GLN 220.A NE2 ALA 226.A O no hydrogen 2.859 N/A ALA 226.A N GLY 223.A O no hydrogen 3.262 N/A HIS 229.A N ASN 219.A O no hydrogen 2.798 N/A GLY 231.A N VAL 217.A O no hydrogen 2.690 N/A TRP 234.A N TYR 215.A O no hydrogen 2.808 N/A TRP 234.A NE1 GLY 231.A O no hydrogen 2.970 N/A LEU 235.A N VAL 169.A O no hydrogen 2.987 N/A LEU 236.A N ASN 213.A O no hydrogen 2.855 N/A CYS 238.A N TYR 264.A OH no hydrogen 2.940 N/A CYS 238.A SG GLY 165.A O no hydrogen 3.345 N/A CYS 238.A SG TYR 264.A OH no hydrogen 3.506 N/A ARG 239.A NH1 GLN 242.A OE1 no hydrogen 2.749 N/A ARG 239.A NH1 GLU 267.A OE1 no hydrogen 3.283 N/A ARG 239.A NH1 GLU 267.A OE2 no hydrogen 2.945 N/A SER 240.A OG ASN 108.A OD1 no hydrogen 2.808 N/A GLN 242.A NE2 SER 265.A O no hydrogen 2.711 N/A GLN 242.A NE2 GLU 267.A OE2 no hydrogen 3.230 N/A ASN 243.A ND2 GLY 212.A O no hydrogen 3.215 N/A VAL 245.A N THR 263.A O no hydrogen 2.756 N/A GLU 246.A N THR 263.A O no hydrogen 3.379 N/A LEU 247.A N ILE 182.A O no hydrogen 2.970 N/A TYR 248.A N SER 261.A O no hydrogen 3.020 N/A ILE 249.A N VAL 180.A O no hydrogen 2.955 N/A THR 250.A N HIS 259.A O no hydrogen 3.050 N/A SER 251.A N VAL 178.A O no hydrogen 2.862 N/A SER 251.A OG ASP 253.A OD1 no hydrogen 2.958 N/A SER 251.A OG THR 257.A O no hydrogen 2.811 N/A ASP 253.A N SER 251.A OG no hydrogen 3.420 N/A GLY 255.A N SER 251.A OG no hydrogen 2.823 N/A ASN 256.A N ASP 253.A O no hydrogen 3.412 N/A THR 257.A N ASP 253.A OD1 no hydrogen 2.850 N/A THR 257.A OG1 ASP 253.A OD1 no hydrogen 3.265 N/A THR 257.A OG1 ASP 253.A OD2 no hydrogen 2.687 N/A PHE 258.A N ALA 274.A O no hydrogen 3.142 N/A HIS 259.A N THR 250.A O no hydrogen 3.105 N/A GLY 260.A N PHE 272.A O no hydrogen 2.894 N/A SER 261.A N TYR 248.A O no hydrogen 2.926 N/A SER 261.A OG ILE 270.A O no hydrogen 3.456 N/A MET 262.A N ILE 270.A O no hydrogen 2.916 N/A THR 263.A N GLU 246.A O no hydrogen 2.920 N/A THR 263.A OG1 GLU 246.A OE1 no hydrogen 2.870 N/A SER 265.A N ASN 243.A O no hydrogen 2.878 N/A GLU 267.A N TYR 264.A O no hydrogen 3.178 N/A ILE 270.A N MET 262.A O no hydrogen 2.757 N/A GLY 271.A N GLN 154.A O no hydrogen 2.870 N/A PHE 272.A N GLY 260.A O no hydrogen 2.913 N/A ARG 273.A N GLU 152.A O no hydrogen 3.194 N/A ARG 273.A NE GLU 152.A OE1 no hydrogen 2.792 N/A ARG 273.A NH2 GLU 152.A OE1 no hydrogen 2.808 N/A ALA 274.A N PHE 258.A O no hydrogen 2.982 N/A MET 275.A N ALA 150.A O no hydrogen 3.009 N/A ALA 276.A N ASN 256.A O no hydrogen 2.937 N/A LEU 277.A N VAL 148.A O no hydrogen 2.790 N/A