Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kg9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 50.A OE2 no hydrogen 2.729 N/A LEU 4.A N HIS 2.A ND1 no hydrogen 3.025 N/A LEU 5.A N HIS 2.A ND1 no hydrogen 3.114 N/A GLY 6.A N HIS 2.A O no hydrogen 2.981 N/A GLU 7.A N GLN 21.A O no hydrogen 2.884 N/A LYS 8.A NZ HIS 18.A ND1 no hydrogen 3.091 N/A LEU 9.A N HIS 19.A O no hydrogen 2.756 N/A ILE 14.A N ALA 12.A O no hydrogen 2.767 N/A HIS 18.A N ILE 91.A O no hydrogen 2.801 N/A HIS 19.A NE2 GLN 17.A OE1 no hydrogen 3.077 N/A PHE 20.A N THR 89.A O no hydrogen 2.898 N/A GLN 21.A N GLU 7.A O no hydrogen 2.850 N/A SER 22.A N VAL 87.A O no hydrogen 2.903 N/A SER 22.A OG LEU 4.A O no hydrogen 2.698 N/A LEU 24.A N LYS 85.A O no hydrogen 2.799 N/A THR 25.A N SER 28.A O no hydrogen 3.000 N/A GLU 27.A N THR 25.A OG1 no hydrogen 3.253 N/A SER 28.A N THR 25.A O no hydrogen 3.072 N/A TYR 31.A OH TYR 195.A OH no hydrogen 2.652 N/A LEU 32.A N PRO 29.A O no hydrogen 3.022 N/A SER 33.A N ALA 30.A O no hydrogen 3.296 N/A SER 33.A OG ALA 30.A O no hydrogen 2.697 N/A GLN 34.A N TYR 31.A O no hydrogen 2.942 N/A HIS 35.A N LEU 32.A O no hydrogen 3.055 N/A HIS 35.A ND1 LEU 42.A O no hydrogen 2.752 N/A GLN 36.A N ASP 160.A O no hydrogen 3.257 N/A GLN 36.A NE2 SER 33.A O no hydrogen 2.991 N/A VAL 37.A N LYS 40.A O no hydrogen 2.810 N/A PHE 38.A N GLY 158.A O no hydrogen 2.771 N/A ASN 39.A ND2 GLN 36.A OE1 no hydrogen 3.619 N/A LYS 40.A N VAL 37.A O no hydrogen 3.137 N/A LEU 42.A N HIS 35.A O no hydrogen 3.270 N/A PHE 43.A N LEU 77.A O no hydrogen 2.891 N/A THR 46.A OG1 PRO 199.A O no hydrogen 2.647 N/A GLY 47.A N PRO 44.A O no hydrogen 2.780 N/A TYR 48.A N ALA 45.A O no hydrogen 3.007 N/A LEU 49.A N ALA 45.A O no hydrogen 3.280 N/A GLU 50.A N THR 46.A O no hydrogen 2.965 N/A ILE 51.A N GLY 47.A O no hydrogen 2.920 N/A ALA 52.A N TYR 48.A O no hydrogen 3.027 N/A ALA 53.A N LEU 49.A O no hydrogen 2.860 N/A ALA 54.A N GLU 50.A O no hydrogen 2.790 N/A VAL 55.A N ILE 51.A O no hydrogen 2.931 N/A GLY 56.A N ALA 52.A O no hydrogen 2.969 N/A LYS 57.A N ALA 53.A O no hydrogen 2.937 N/A ASN 58.A N ALA 54.A O no hydrogen 3.081 N/A ASN 58.A N VAL 55.A O no hydrogen 2.937 N/A ASN 58.A ND2 ALA 54.A O no hydrogen 2.960 N/A LEU 59.A N GLY 56.A O no hydrogen 3.167 N/A THR 62.A N GLU 64.A OE1 no hydrogen 2.764 N/A THR 62.A OG1 GLU 64.A OE1 no hydrogen 3.364 N/A THR 62.A OG1 GLU 64.A OE2 no hydrogen 2.758 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.894 N/A GLN 65.A N ASP 123.A O no hydrogen 2.966 N/A GLN 65.A NE2 VAL 66.A O no hydrogen 2.959 N/A GLN 65.A NE2 GLN 233.A O no hydrogen 2.940 N/A VAL 67.A N PHE 121.A O no hydrogen 2.831 N/A VAL 68.A N LEU 231.A O no hydrogen 2.969 N/A SER 69.A N LYS 119.A O no hydrogen 2.841 N/A ASP 70.A N ASP 229.A O no hydrogen 2.952 N/A VAL 71.A N ILE 228.A O no hydrogen 3.061 N/A THR 72.A N.A GLU 117.A O no hydrogen 2.935 N/A THR 72.A N.B GLU 117.A O no hydrogen 2.940 N/A THR 72.A OG1.B GLU 117.A OE1 no hydrogen 3.043 N/A ILE 73.A N VAL 226.A O no hydrogen 2.757 N/A VAL 74.A N HIS 115.A O no hydrogen 2.715 N/A ARG 75.A N HIS 115.A O no hydrogen 3.219 N/A ARG 75.A NH1 LEU 114.A O no hydrogen 2.730 N/A ILE 79.A N VAL 41.A O no hydrogen 2.882 N/A THR 82.A OG1 GLU 81.A O no hydrogen 2.599 N/A LYS 85.A N LEU 24.A O no hydrogen 2.823 N/A LYS 85.A NZ SER 107.A OG no hydrogen 2.822 N/A THR 86.A N THR 106.A O no hydrogen 2.880 N/A THR 86.A OG1 GLU 108.A OE2 no hydrogen 2.710 N/A VAL 87.A N SER 22.A O no hydrogen 2.824 N/A GLN 88.A N PHE 104.A O no hydrogen 2.872 N/A GLN 88.A NE2 GLN 21.A OE1 no hydrogen 2.725 N/A THR 89.A N PHE 20.A O no hydrogen 3.026 N/A VAL 90.A N GLU 102.A O no hydrogen 2.819 N/A ILE 91.A N HIS 18.A O no hydrogen 2.845 N/A SER 92.A N LYS 100.A O no hydrogen 2.850 N/A THR 93.A N ASN 16.A O no hydrogen 2.965 N/A LEU 94.A N SER 98.A O no hydrogen 2.795 N/A GLU 95.A N SER 98.A O no hydrogen 3.419 N/A SER 98.A N GLU 95.A O no hydrogen 3.138 N/A TYR 99.A N ILE 120.A O no hydrogen 2.845 N/A LYS 100.A N SER 92.A O no hydrogen 2.869 N/A LEU 101.A N GLY 118.A O no hydrogen 2.885 N/A GLU 102.A N VAL 90.A O no hydrogen 2.919 N/A ILE 103.A N ALA 116.A O no hydrogen 2.864 N/A PHE 104.A N GLN 88.A O no hydrogen 2.851 N/A SER 105.A N THR 113.A O no hydrogen 2.913 N/A SER 105.A OG HIS 115.A NE2 no hydrogen 2.625 N/A THR 106.A N THR 86.A O no hydrogen 2.973 N/A THR 106.A OG1 ALA 109.A O no hydrogen 2.750 N/A THR 106.A OG1 GLN 111.A O no hydrogen 3.154 N/A SER 107.A OG ASP 83.A OD2 no hydrogen 2.651 N/A THR 113.A N SER 105.A O no hydrogen 2.902 N/A HIS 115.A N ILE 103.A O no hydrogen 2.800 N/A HIS 115.A ND1 ARG 75.A O no hydrogen 2.844 N/A HIS 115.A NE2 SER 105.A OG no hydrogen 2.625 N/A ALA 116.A N ILE 103.A O no hydrogen 3.422 N/A GLU 117.A N THR 72.A O.A no hydrogen 3.021 N/A GLU 117.A N THR 72.A O.B no hydrogen 3.073 N/A GLY 118.A N LEU 101.A O no hydrogen 2.972 N/A LYS 119.A N SER 69.A O no hydrogen 2.831 N/A LYS 119.A NZ ASP 70.A OD2 no hydrogen 3.037 N/A ILE 120.A N TYR 99.A O no hydrogen 2.968 N/A PHE 121.A N VAL 67.A O no hydrogen 3.038 N/A ASP 123.A N GLN 65.A O no hydrogen 2.745 N/A THR 125.A N ASP 123.A OD1 no hydrogen 3.186 N/A THR 125.A OG1 ASP 123.A OD1 no hydrogen 2.634 N/A LYS 129.A NZ GLU 268.A OE1 no hydrogen 3.438 N/A ILE 132.A N GLY 263.A O no hydrogen 2.835 N/A GLN 136.A N ASP 133.A O no hydrogen 3.130 N/A GLN 136.A N ASP 133.A OD1 no hydrogen 3.205 N/A GLN 136.A NE2 GLU 140.A OE1.A no hydrogen 3.081 N/A TYR 137.A N ASP 133.A O no hydrogen 3.306 N/A GLN 138.A N LEU 134.A O no hydrogen 2.863 N/A ARG 139.A N GLU 135.A O no hydrogen 2.870 N/A ARG 139.A NH2 GLU 135.A OE1 no hydrogen 3.456 N/A GLU 140.A N.A GLN 136.A O no hydrogen 2.888 N/A GLU 140.A N.B GLN 136.A O no hydrogen 2.899 N/A CYS 141.A N TYR 137.A O no hydrogen 2.900 N/A CYS 141.A SG TYR 137.A O no hydrogen 3.507 N/A GLN 143.A N LYS 173.A O no hydrogen 3.181 N/A ILE 145.A N LEU 171.A O no hydrogen 2.911 N/A GLN 149.A N ASP 146.A OD1 no hydrogen 3.175 N/A HIS 150.A N ASP 146.A O no hydrogen 2.901 N/A HIS 150.A ND1 HIS 211.A NE2 no hydrogen 2.834 N/A HIS 150.A NE2 GLN 207.A OE1 no hydrogen 3.172 N/A TYR 151.A N ILE 147.A O no hydrogen 3.122 N/A TYR 151.A OH PHE 165.A O no hydrogen 3.283 N/A TYR 151.A OH GLN 207.A OE1 no hydrogen 2.867 N/A GLN 152.A N GLN 148.A O no hydrogen 2.991 N/A GLN 153.A N GLN 149.A O no hydrogen 2.832 N/A PHE 154.A N HIS 150.A O no hydrogen 3.165 N/A LYS 155.A N TYR 151.A O no hydrogen 2.963 N/A SER 156.A N GLN 152.A O no hydrogen 2.907 N/A SER 156.A OG GLN 153.A O no hydrogen 2.943 N/A ARG 157.A N PHE 154.A O no hydrogen 3.007 N/A ARG 157.A NE GLN 153.A OE1 no hydrogen 2.579 N/A ARG 157.A NH1 LYS 221.A O no hydrogen 3.098 N/A GLY 158.A N LYS 155.A O no hydrogen 2.958 N/A ILE 159.A N PHE 154.A O no hydrogen 3.019 N/A ASP 160.A N GLN 36.A O no hydrogen 2.781 N/A GLY 162.A N GLN 34.A O no hydrogen 2.805 N/A ASN 163.A ND2 GLU 187.A OE2 no hydrogen 3.440 N/A SER 164.A N.A GLN 34.A OE1 no hydrogen 2.809 N/A SER 164.A N.B GLN 34.A OE1 no hydrogen 2.813 N/A SER 164.A OG.A GLN 34.A OE1 no hydrogen 2.756 N/A SER 164.A OG.B GLN 34.A OE1 no hydrogen 2.598 N/A PHE 165.A N GLY 162.A O no hydrogen 2.934 N/A GLN 166.A N ASN 163.A O no hydrogen 2.984 N/A GLN 166.A NE2 TYR 161.A O no hydrogen 2.840 N/A LYS 169.A N LYS 181.A O no hydrogen 2.770 N/A GLN 170.A N LYS 181.A O no hydrogen 3.375 N/A TRP 172.A N LEU 179.A O no hydrogen 2.843 N/A LYS 173.A N GLN 143.A O no hydrogen 2.872 N/A GLY 174.A N LYS 177.A O no hydrogen 2.796 N/A LYS 177.A NZ GLU 140.A OE2.A no hydrogen 2.881 N/A ALA 178.A N VAL 245.A O no hydrogen 2.846 N/A LEU 179.A N TRP 172.A O no hydrogen 2.838 N/A GLY 180.A N ALA 243.A O no hydrogen 2.953 N/A LYS 181.A N GLN 170.A O no hydrogen 2.849 N/A ILE 182.A N VAL 241.A O no hydrogen 2.922 N/A ALA 183.A N GLY 167.A O no hydrogen 3.016 N/A LEU 184.A N THR 239.A O no hydrogen 3.055 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.801 N/A ILE 188.A N PRO 185.A O no hydrogen 2.998 N/A GLN 191.A N ILE 188.A O no hydrogen 2.962 N/A ASP 194.A N GLN 191.A O no hydrogen 2.969 N/A GLN 196.A N GLU 50.A OE2 no hydrogen 2.725 N/A GLN 196.A NE2 GLN 236.A OE1 no hydrogen 2.955 N/A LEU 197.A N GLU 50.A OE1 no hydrogen 2.949 N/A HIS 198.A NE2 GLN 191.A OE1 no hydrogen 2.828 N/A ALA 200.A N HIS 198.A ND1 no hydrogen 3.018 N/A LEU 201.A N.A HIS 198.A O no hydrogen 2.903 N/A LEU 201.A N.B HIS 198.A O no hydrogen 2.885 N/A LEU 202.A N HIS 198.A O no hydrogen 3.017 N/A ASP 203.A N PRO 199.A O no hydrogen 2.891 N/A ALA 204.A N ALA 200.A O no hydrogen 3.145 N/A ALA 205.A N LEU 201.A O.A no hydrogen 3.301 N/A ALA 205.A N LEU 201.A O.B no hydrogen 3.355 N/A LEU 206.A N LEU 202.A O no hydrogen 2.979 N/A GLN 207.A N ASP 203.A O no hydrogen 2.865 N/A GLN 207.A NE2 PHE 165.A O no hydrogen 2.994 N/A GLN 207.A NE2 ASP 203.A OD2 no hydrogen 2.898 N/A ILE 208.A N ALA 205.A O no hydrogen 3.206 N/A LEU 209.A N LEU 206.A O no hydrogen 3.069 N/A HIS 211.A N ILE 208.A O no hydrogen 3.012 N/A HIS 211.A NE2 HIS 150.A ND1 no hydrogen 2.834 N/A ALA 212.A N ILE 208.A O no hydrogen 3.389 N/A ILE 213.A N LEU 209.A O no hydrogen 2.935 N/A GLY 214.A N GLY 210.A O no hydrogen 2.767 N/A ASN 215.A N GLY 210.A O no hydrogen 3.434 N/A THR 218.A N ASN 215.A O no hydrogen 3.017 N/A ASP 219.A N ASN 215.A O no hydrogen 2.723 N/A LYS 221.A N ASP 219.A OD1 no hydrogen 2.979 N/A LYS 221.A NZ ASP 219.A OD1 no hydrogen 2.742 N/A LYS 221.A NZ TYR 223.A OH no hydrogen 2.807 N/A TYR 223.A OH ASP 219.A OD2 no hydrogen 2.663 N/A LEU 224.A N THR 275.A O no hydrogen 3.052 N/A VAL 226.A N ARG 273.A O no hydrogen 2.788 N/A GLY 227.A N ARG 273.A O no hydrogen 3.356 N/A ILE 228.A N VAL 71.A O no hydrogen 3.060 N/A ASP 229.A N GLU 270.A O no hydrogen 2.862 N/A LYS 230.A N GLU 270.A O no hydrogen 3.187 N/A LEU 231.A N VAL 68.A O no hydrogen 2.798 N/A LYS 232.A N GLU 268.A O no hydrogen 3.025 N/A LYS 232.A NZ ASP 123.A OD2 no hydrogen 3.428 N/A GLN 233.A NE2 GLN 196.A O no hydrogen 2.858 N/A GLN 233.A NE2 ARG 235.A O no hydrogen 2.844 N/A TYR 234.A N LEU 266.A O no hydrogen 2.755 N/A ARG 235.A NH1 ASP 260.A OD2 no hydrogen 3.206 N/A ARG 235.A NH2 ASP 260.A OD2 no hydrogen 3.532 N/A VAL 241.A N ILE 182.A O no hydrogen 2.939 N/A TRP 242.A N VAL 259.A O no hydrogen 2.802 N/A TRP 242.A NE1 ASN 261.A OD1 no hydrogen 2.820 N/A ALA 243.A N GLY 180.A O no hydrogen 2.732 N/A ILE 244.A N LYS 257.A O no hydrogen 2.813 N/A VAL 245.A N ALA 178.A O no hydrogen 2.922 N/A GLU 246.A N SER 255.A O no hydrogen 2.963 N/A ILE 247.A N GLY 176.A O no hydrogen 2.946 N/A THR 251.A N PRO 248.A O no hydrogen 3.161 N/A LYS 253.A N THR 251.A OG1 no hydrogen 3.142 N/A LYS 253.A NZ ASP 229.A OD2 no hydrogen 3.036 N/A GLY 254.A N LEU 272.A O no hydrogen 2.981 N/A SER 255.A N GLU 246.A O no hydrogen 2.796 N/A ILE 256.A N ILE 269.A O no hydrogen 3.093 N/A LYS 257.A N ILE 244.A O no hydrogen 2.895 N/A LEU 258.A N ALA 267.A O no hydrogen 2.861 N/A VAL 259.A N TRP 242.A O no hydrogen 2.858 N/A ASP 260.A N SER 264.A O no hydrogen 3.027 N/A GLN 262.A N ASP 260.A OD1 no hydrogen 2.987 N/A GLY 263.A N ASP 260.A O no hydrogen 3.091 N/A SER 264.A N ASP 260.A OD1 no hydrogen 2.913 N/A LEU 266.A N LEU 258.A O no hydrogen 2.723 N/A ALA 267.A N LEU 258.A O no hydrogen 3.317 N/A GLU 268.A N LYS 232.A O no hydrogen 2.888 N/A ILE 269.A N ILE 256.A O no hydrogen 2.821 N/A GLU 270.A N LYS 230.A O no hydrogen 2.775 N/A LEU 272.A N GLY 254.A O no hydrogen 2.867 N/A ARG 273.A N GLY 227.A O no hydrogen 2.860 N/A THR 275.A N LEU 224.A O no hydrogen 2.971 N/A THR 277.A N ALA 222.A O no hydrogen 2.722 N/A THR 278.A OG1 ASP 280.A OD1 no hydrogen 2.693 N/A ALA 281.A N THR 278.A O no hydrogen 3.175 N/A