Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a8g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ASP 71.A O no hydrogen 3.439 N/A LYS 1.A NZ VAL 73.A O no hydrogen 3.260 N/A LYS 1.A NZ ASP 100.A OD1 no hydrogen 3.239 N/A LYS 1.A NZ ASP 100.A OD2 no hydrogen 3.250 N/A LYS 4.A N ASP 2.A OD1 no hydrogen 3.465 N/A GLY 5.A N ASP 200.A O no hydrogen 3.248 N/A LEU 6.A N ASP 39.A OD2 no hydrogen 2.905 N/A TYR 7.A N ALA 202.A O no hydrogen 2.888 N/A TYR 7.A OH LEU 3.A O no hydrogen 2.583 N/A ALA 8.A N GLY 40.A O no hydrogen 3.079 N/A ALA 9.A N GLY 204.A O no hydrogen 3.025 N/A LEU 10.A N TYR 42.A O no hydrogen 3.049 N/A PHE 14.A N LEU 265.A O no hydrogen 3.011 N/A ASP 15.A N GLN 19.A O no hydrogen 2.937 N/A ASN 17.A N ASP 15.A OD1 no hydrogen 2.970 N/A GLY 18.A N ASP 15.A O no hydrogen 3.009 N/A GLN 19.A N ASP 15.A OD1 no hydrogen 2.935 N/A GLN 19.A NE2 ASN 17.A O no hydrogen 3.330 N/A ASN 21.A N PRO 13.A O no hydrogen 2.954 N/A ASN 21.A ND2 ASP 262.A OD2 no hydrogen 2.855 N/A GLN 23.A NE2 ASP 262.A OD2 no hydrogen 2.769 N/A GLY 24.A N ASN 21.A OD1 no hydrogen 3.112 N/A LEU 25.A N ASN 21.A O no hydrogen 2.923 N/A LYS 26.A N GLU 22.A O no hydrogen 2.985 N/A GLN 27.A N GLN 23.A O no hydrogen 3.177 N/A ILE 28.A N GLY 24.A O no hydrogen 2.930 N/A ALA 29.A N LEU 25.A O no hydrogen 2.980 N/A GLN 30.A N LYS 26.A O no hydrogen 2.926 N/A GLN 30.A NE2 ALA 68.A O no hydrogen 3.542 N/A ASN 31.A N GLN 27.A O no hydrogen 2.768 N/A ASN 31.A ND2 ASN 208.A O no hydrogen 2.783 N/A ALA 32.A N ILE 28.A O no hydrogen 2.999 N/A ILE 33.A N ALA 29.A O no hydrogen 3.332 N/A GLU 34.A N GLN 30.A O no hydrogen 2.799 N/A THR 35.A N ASN 31.A O no hydrogen 3.029 N/A GLU 36.A N ASN 31.A O no hydrogen 2.930 N/A LEU 38.A N ALA 32.A O no hydrogen 3.210 N/A ASP 39.A N LEU 6.A O no hydrogen 2.862 N/A LEU 41.A N LYS 74.A O no hydrogen 2.980 N/A TYR 42.A N ALA 8.A O no hydrogen 2.917 N/A TYR 42.A OH SER 103.A OG no hydrogen 2.761 N/A VAL 43.A N ILE 76.A O no hydrogen 2.889 N/A ASN 44.A ND2 LYS 58.A O no hydrogen 3.081 N/A SER 46.A OG TYR 135.A OH no hydrogen 2.740 N/A GLY 48.A N GLY 45.A O no hydrogen 3.115 N/A GLU 49.A N SER 46.A O no hydrogen 2.988 N/A LEU 52.A N GLU 49.A O no hydrogen 2.988 N/A LEU 53.A N ASN 50.A O no hydrogen 3.020 N/A ASN 54.A N GLN 57.A OE1 no hydrogen 2.960 N/A THR 55.A OG1 GLU 86.A OE2 no hydrogen 2.711 N/A GLN 57.A N ASN 54.A OD1 no hydrogen 2.881 N/A GLN 57.A NE2 GLY 18.A O no hydrogen 3.036 N/A GLN 57.A NE2 GLN 19.A OE1 no hydrogen 3.641 N/A LYS 58.A N ASN 54.A O no hydrogen 3.102 N/A LYS 58.A NZ GLU 86.A OE1 no hydrogen 3.560 N/A LYS 58.A NZ GLU 86.A OE2 no hydrogen 3.027 N/A LYS 59.A N THR 55.A O no hydrogen 3.098 N/A LYS 59.A NZ GLU 89.A OE2 no hydrogen 2.721 N/A GLN 60.A N GLU 56.A O no hydrogen 3.003 N/A GLN 60.A NE2 GLU 22.A OE2 no hydrogen 2.891 N/A VAL 61.A N GLN 57.A O no hydrogen 2.943 N/A PHE 62.A N LYS 58.A O no hydrogen 2.971 N/A LYS 63.A N LYS 59.A O no hydrogen 2.893 N/A LYS 63.A NZ GLU 67.A OE2 no hydrogen 2.723 N/A VAL 64.A N GLN 60.A O no hydrogen 2.937 N/A ALA 65.A N VAL 61.A O no hydrogen 3.035 N/A LYS 66.A N PHE 62.A O no hydrogen 3.126 N/A GLU 67.A N LYS 63.A O no hydrogen 3.009 N/A ALA 68.A N ALA 65.A O no hydrogen 3.244 N/A VAL 73.A N GLY 70.A O no hydrogen 3.171 N/A LYS 74.A N ASP 39.A O no hydrogen 3.073 N/A LYS 74.A NZ ASP 2.A O no hydrogen 2.795 N/A LYS 74.A NZ LYS 4.A O no hydrogen 2.738 N/A LEU 75.A N ASP 100.A OD2 no hydrogen 2.896 N/A ILE 76.A N LEU 41.A O no hydrogen 3.000 N/A ALA 77.A N ALA 101.A O no hydrogen 2.950 N/A GLN 78.A N VAL 43.A O no hydrogen 2.937 N/A GLN 78.A NE2 ASN 44.A O no hydrogen 2.871 N/A GLN 78.A NE2 GLY 80.A O no hydrogen 3.651 N/A VAL 79.A N SER 103.A O no hydrogen 2.845 N/A GLY 80.A N GLN 78.A OE1 no hydrogen 2.912 N/A SER 81.A N TYR 120.A OH no hydrogen 3.324 N/A SER 81.A OG ASP 83.A O no hydrogen 3.490 N/A SER 81.A OG GLU 86.A OE1 no hydrogen 2.667 N/A ASP 83.A N SER 81.A OG no hydrogen 2.945 N/A GLU 86.A N ASP 83.A OD1 no hydrogen 3.432 N/A ALA 87.A N ASP 83.A O no hydrogen 2.921 N/A ILE 88.A N LEU 84.A O no hydrogen 2.909 N/A GLU 89.A N ASN 85.A O no hydrogen 2.994 N/A LEU 90.A N GLU 86.A O no hydrogen 2.845 N/A GLY 91.A N ALA 87.A O no hydrogen 2.773 N/A LYS 92.A N ILE 88.A O no hydrogen 2.904 N/A LYS 92.A NZ ALA 127.A O no hydrogen 3.158 N/A TYR 93.A N GLU 89.A O no hydrogen 3.111 N/A ALA 94.A N LEU 90.A O no hydrogen 2.857 N/A THR 95.A N GLY 91.A O no hydrogen 2.974 N/A THR 95.A OG1 GLY 91.A O no hydrogen 2.644 N/A GLU 96.A N LYS 92.A O no hydrogen 2.892 N/A LEU 97.A N TYR 93.A O no hydrogen 3.097 N/A GLY 98.A N THR 95.A O no hydrogen 3.033 N/A TYR 99.A N ALA 94.A O no hydrogen 3.100 N/A TYR 99.A OH PHE 62.A O no hydrogen 2.708 N/A ASP 100.A N LEU 75.A O no hydrogen 2.980 N/A LEU 102.A N ASN 131.A O no hydrogen 2.911 N/A SER 103.A N ALA 77.A O no hydrogen 2.825 N/A SER 103.A OG TYR 42.A OH no hydrogen 2.761 N/A SER 103.A OG ILE 133.A O no hydrogen 2.937 N/A ALA 104.A N ILE 133.A O no hydrogen 3.169 N/A VAL 105.A N GLN 78.A OE1 no hydrogen 2.924 N/A THR 106.A N TYR 135.A O no hydrogen 3.339 N/A TYR 110.A N PHE 108.A O no hydrogen 2.865 N/A PHE 112.A N TYR 110.A O no hydrogen 2.871 N/A THR 113.A N GLU 116.A OE1 no hydrogen 2.924 N/A GLU 116.A N THR 113.A OG1 no hydrogen 3.201 N/A ILE 117.A N THR 113.A O no hydrogen 3.079 N/A ARG 118.A N PHE 114.A O no hydrogen 2.796 N/A ARG 118.A NE ASP 119.A OD1 no hydrogen 2.925 N/A ARG 118.A NH1 GLU 152.A OE2 no hydrogen 2.818 N/A ARG 118.A NH2 ASP 119.A OD1 no hydrogen 3.420 N/A ARG 118.A NH2 ASP 119.A OD2 no hydrogen 3.034 N/A ASP 119.A N GLU 115.A O no hydrogen 3.068 N/A TYR 120.A N GLU 116.A O no hydrogen 3.178 N/A TYR 120.A N ILE 117.A O no hydrogen 3.197 N/A TYR 120.A OH VAL 105.A O no hydrogen 3.074 N/A TYR 121.A N ILE 117.A O no hydrogen 3.329 N/A TYR 121.A OH ALA 104.A O no hydrogen 2.820 N/A PHE 122.A N ARG 118.A O no hydrogen 2.996 N/A ASP 123.A N ASP 119.A O no hydrogen 2.840 N/A ILE 124.A N TYR 120.A O no hydrogen 3.048 N/A ILE 125.A N TYR 121.A O no hydrogen 3.059 N/A GLU 126.A N PHE 122.A O no hydrogen 2.872 N/A ALA 127.A N ASP 123.A O no hydrogen 3.195 N/A THR 128.A N ILE 124.A O no hydrogen 3.011 N/A THR 128.A OG1 ILE 124.A O no hydrogen 2.797 N/A GLN 129.A N ILE 125.A O no hydrogen 2.815 N/A GLN 129.A NE2 GLU 126.A O no hydrogen 2.933 N/A ASN 130.A ND2 THR 95.A OG1 no hydrogen 3.109 N/A ASN 130.A ND2 TYR 99.A O no hydrogen 3.403 N/A ASN 131.A N ASN 130.A OD1 no hydrogen 2.737 N/A MET 132.A N LYS 158.A O no hydrogen 2.753 N/A ILE 133.A N LEU 102.A O no hydrogen 2.844 N/A ILE 134.A N GLY 161.A O no hydrogen 2.907 N/A TYR 135.A N ALA 104.A O no hydrogen 3.087 N/A TYR 135.A OH SER 46.A OG no hydrogen 2.740 N/A LEU 140.A N ILE 137.A O no hydrogen 3.069 N/A THR 141.A N ILE 137.A O no hydrogen 3.025 N/A THR 141.A OG1 ILE 137.A O no hydrogen 3.046 N/A GLY 142.A N PRO 138.A O no hydrogen 2.880 N/A VAL 143.A N THR 141.A OG1 no hydrogen 2.965 N/A SER 146.A N GLN 149.A OE1 no hydrogen 2.979 N/A SER 146.A OG GLU 148.A OE1 no hydrogen 3.469 N/A GLN 149.A N SER 146.A OG no hydrogen 3.123 N/A PHE 150.A N SER 146.A O no hydrogen 2.847 N/A SER 151.A N ILE 147.A O no hydrogen 2.841 N/A SER 151.A OG.A GLU 148.A O no hydrogen 2.992 N/A SER 151.A OG.B ILE 147.A O no hydrogen 2.851 N/A GLU 152.A N GLU 148.A O no hydrogen 3.147 N/A LEU 153.A N GLN 149.A O no hydrogen 3.032 N/A PHE 154.A N PHE 150.A O no hydrogen 2.743 N/A HIS 156.A N LEU 153.A O no hydrogen 3.002 N/A LYS 158.A N HIS 156.A ND1 no hydrogen 3.143 N/A ILE 159.A N HIS 156.A O no hydrogen 3.132 N/A VAL 160.A N MET 132.A O no hydrogen 2.933 N/A VAL 162.A N LEU 182.A O no hydrogen 2.860 N/A TYR 163.A OH ASN 167.A O no hydrogen 2.749 N/A THR 164.A N ALA 136.A O no hydrogen 3.208 N/A THR 164.A OG1 ALA 136.A O no hydrogen 2.570 N/A THR 164.A OG1 ASP 139.A OD1 no hydrogen 3.250 N/A ASN 167.A N ALA 165.A O no hydrogen 2.662 N/A PHE 169.A N ASN 167.A OD1 no hydrogen 3.026 N/A LEU 170.A N ASN 167.A OD1 no hydrogen 3.019 N/A LEU 171.A N ASN 167.A O no hydrogen 3.151 N/A GLU 172.A N PHE 168.A O no hydrogen 3.283 N/A ARG 173.A N PHE 169.A O no hydrogen 2.980 N/A ARG 173.A NE GLU 172.A OE1 no hydrogen 2.851 N/A ARG 173.A NH2 GLU 172.A OE1 no hydrogen 3.499 N/A ARG 173.A NH2 GLU 172.A OE2 no hydrogen 2.871 N/A ILE 174.A N LEU 170.A O no hydrogen 2.981 N/A ARG 175.A N LEU 171.A O no hydrogen 2.861 N/A ARG 175.A NE GLY 198.A O no hydrogen 3.531 N/A ARG 175.A NH1 PHE 178.A O no hydrogen 2.907 N/A ARG 175.A NH1 LYS 181.A O no hydrogen 2.834 N/A ARG 175.A NH2 GLY 198.A O no hydrogen 3.020 N/A ARG 175.A NH2 ASP 200.A OD2 no hydrogen 2.618 N/A LYS 176.A N GLU 172.A O no hydrogen 2.958 N/A ALA 177.A N ARG 173.A O no hydrogen 2.923 N/A PHE 178.A N ILE 174.A O no hydrogen 2.945 N/A LYS 181.A N PHE 178.A O no hydrogen 3.357 N/A LYS 181.A NZ PHE 154.A O no hydrogen 3.056 N/A LYS 181.A NZ HIS 156.A O no hydrogen 3.435 N/A LYS 181.A NZ ILE 159.A O no hydrogen 2.753 N/A LEU 182.A N VAL 160.A O no hydrogen 2.926 N/A ILE 183.A N ASP 200.A OD2 no hydrogen 2.902 N/A LEU 184.A N VAL 162.A O no hydrogen 2.907 N/A SER 185.A N GLY 201.A O no hydrogen 3.086 N/A SER 185.A OG GLY 201.A O no hydrogen 3.565 N/A GLY 186.A N TYR 163.A O no hydrogen 2.952 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.669 N/A MET 190.A N PHE 187.A O no hydrogen 2.999 N/A LEU 191.A N ASP 188.A O no hydrogen 3.427 N/A VAL 192.A N GLN 233.A OE1 no hydrogen 2.822 N/A GLN 193.A N GLN 193.A OE1 no hydrogen 2.868 N/A ALA 194.A N MET 190.A O no hydrogen 3.002 N/A THR 195.A N LEU 191.A O no hydrogen 2.818 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.766 N/A ILE 196.A N VAL 192.A O no hydrogen 3.228 N/A SER 197.A N GLN 193.A O no hydrogen 3.147 N/A SER 197.A OG GLN 193.A O no hydrogen 2.729 N/A GLY 198.A N THR 195.A O no hydrogen 3.023 N/A VAL 199.A N ALA 194.A O no hydrogen 3.333 N/A ASP 200.A N ILE 183.A O no hydrogen 2.848 N/A ALA 202.A N GLY 5.A O no hydrogen 3.112 N/A ILE 203.A N SER 185.A O no hydrogen 2.851 N/A GLY 204.A N TYR 7.A O no hydrogen 3.145 N/A THR 206.A N ASP 188.A OD2 no hydrogen 2.926 N/A THR 206.A OG1 ASP 188.A OD2 no hydrogen 2.535 N/A ASN 208.A N SER 205.A O no hydrogen 3.271 N/A ASN 208.A ND2 ALA 9.A O no hydrogen 2.978 N/A ASN 208.A ND2 SER 205.A O no hydrogen 2.718 N/A VAL 209.A N THR 206.A O no hydrogen 3.010 N/A ASN 210.A N THR 206.A O no hydrogen 2.845 N/A ASN 210.A ND2 SER 236.A OG no hydrogen 2.973 N/A GLY 211.A N GLU 36.A OE1 no hydrogen 2.770 N/A ARG 212.A NE THR 35.A O no hydrogen 3.226 N/A ARG 213.A NH1 ASN 210.A OD1 no hydrogen 2.857 N/A ARG 213.A NH1 TYR 288.A O no hydrogen 3.535 N/A ARG 213.A NH2 TYR 288.A O no hydrogen 2.881 N/A ALA 214.A N ASN 210.A O no hydrogen 3.178 N/A ARG 215.A N GLY 211.A O no hydrogen 3.019 N/A ARG 215.A NH1 ASP 39.A OD2 no hydrogen 3.094 N/A ARG 215.A NH2 GLU 37.A O no hydrogen 2.910 N/A ARG 215.A NH2 ASP 39.A OD2 no hydrogen 2.867 N/A LYS 216.A N ARG 212.A O no hydrogen 3.185 N/A ILE 217.A N ARG 213.A O no hydrogen 2.877 N/A PHE 218.A N ALA 214.A O no hydrogen 2.998 N/A ASP 219.A N ARG 215.A O no hydrogen 2.855 N/A LEU 220.A N LYS 216.A O no hydrogen 2.832 N/A ALA 221.A N ILE 217.A O no hydrogen 2.988 N/A ARG 222.A N PHE 218.A O no hydrogen 3.132 N/A GLN 223.A N ASP 219.A O no hydrogen 3.008 N/A GLY 224.A N ALA 221.A O no hydrogen 3.048 N/A GLN 225.A N LEU 220.A O no hydrogen 2.872 N/A ALA 229.A N GLN 225.A O no hydrogen 3.026 N/A TYR 230.A N ILE 226.A O no hydrogen 2.934 N/A GLN 231.A N GLN 227.A O no hydrogen 2.978 N/A GLN 231.A NE2 ASP 235.A OD1 no hydrogen 3.249 N/A LEU 232.A N GLU 228.A O no hydrogen 3.130 N/A GLN 233.A N ALA 229.A O no hydrogen 2.964 N/A GLN 233.A NE2 ASP 188.A O no hydrogen 3.074 N/A GLN 233.A NE2 ASN 237.A OD1 no hydrogen 2.915 N/A HIS 234.A N TYR 230.A O no hydrogen 2.854 N/A ASP 235.A N GLN 231.A O no hydrogen 3.049 N/A SER 236.A N LEU 232.A O no hydrogen 2.884 N/A SER 236.A OG LEU 232.A O no hydrogen 2.907 N/A ASN 237.A N GLN 233.A O no hydrogen 2.835 N/A ASN 237.A ND2 GLU 189.A O no hydrogen 3.041 N/A ASP 238.A N HIS 234.A O no hydrogen 3.101 N/A ILE 239.A N ASP 235.A O no hydrogen 3.315 N/A ILE 240.A N SER 236.A O no hydrogen 2.894 N/A GLU 241.A N ASN 237.A O no hydrogen 2.818 N/A THR 242.A N ASP 238.A O no hydrogen 3.075 N/A THR 242.A OG1 ASP 238.A O no hydrogen 2.793 N/A VAL 243.A N ILE 239.A O no hydrogen 2.917 N/A LEU 244.A N ILE 240.A O no hydrogen 2.913 N/A SER 245.A N GLU 241.A O no hydrogen 3.131 N/A SER 245.A OG THR 242.A O no hydrogen 2.625 N/A MET 246.A N THR 242.A O no hydrogen 3.270 N/A MET 246.A N VAL 243.A O no hydrogen 3.212 N/A GLY 247.A N LEU 244.A O no hydrogen 3.387 N/A THR 251.A N GLY 247.A O no hydrogen 3.079 N/A THR 251.A OG1 GLY 247.A O no hydrogen 2.763 N/A LEU 252.A N ILE 248.A O no hydrogen 2.844 N/A LYS 253.A N TYR 249.A O no hydrogen 3.076 N/A LYS 253.A NZ VAL 12.A O no hydrogen 2.859 N/A LYS 253.A NZ GLU 49.A OE2 no hydrogen 2.797 N/A LYS 253.A NZ LEU 265.A O no hydrogen 3.339 N/A GLU 254.A N PRO 250.A O no hydrogen 2.841 N/A ILE 255.A N THR 251.A O no hydrogen 3.017 N/A LEU 256.A N LEU 252.A O no hydrogen 3.057 N/A ARG 257.A N LYS 253.A O no hydrogen 2.852 N/A ARG 257.A NE GLU 254.A OE1 no hydrogen 3.198 N/A ARG 257.A NE GLU 254.A OE2 no hydrogen 3.148 N/A ARG 257.A NH2 GLU 254.A OE2 no hydrogen 2.968 N/A ARG 257.A NH2 GLY 264.A O no hydrogen 2.666 N/A HIS 258.A N GLU 254.A O no hydrogen 3.172 N/A ARG 259.A N LEU 256.A O no hydrogen 2.924 N/A ARG 259.A NE LEU 290.A O no hydrogen 2.827 N/A ARG 259.A NH1 ASN 31.A OD1 no hydrogen 3.033 N/A ARG 259.A NH1 GLU 36.A OE2 no hydrogen 2.648 N/A ARG 259.A NH2 GLU 36.A OE2 no hydrogen 3.255 N/A ARG 259.A NH2 VAL 209.A O no hydrogen 3.119 N/A ARG 259.A NH2 LEU 290.A O no hydrogen 2.703 N/A GLY 260.A N ARG 257.A O no hydrogen 2.870 N/A ILE 261.A N LEU 256.A O no hydrogen 3.431 N/A ASP 262.A N GLN 27.A OE1 no hydrogen 2.756 N/A LEU 265.A N PHE 14.A O no hydrogen 2.854 N/A LYS 267.A N GLU 49.A OE1 no hydrogen 2.770 N/A LYS 267.A NZ LEU 52.A O no hydrogen 2.757 N/A ARG 268.A NH2 GLU 16.A O no hydrogen 2.896 N/A PHE 270.A N LYS 267.A O no hydrogen 3.058 N/A ALA 276.A N ASN 274.A OD1 no hydrogen 2.640 N/A HIS 277.A N ASN 274.A O no hydrogen 2.997 N/A ARG 278.A N GLU 275.A O no hydrogen 3.000 N/A ARG 278.A NE GLU 275.A OE1 no hydrogen 2.668 N/A ARG 278.A NH2 GLU 254.A OE1 no hydrogen 3.060 N/A ARG 278.A NH2 GLU 275.A OE1 no hydrogen 3.379 N/A ARG 278.A NH2 GLU 275.A OE2 no hydrogen 2.622 N/A LEU 281.A N HIS 277.A O no hydrogen 2.981 N/A ASP 282.A N ARG 278.A O no hydrogen 2.831 N/A GLN 283.A N GLN 279.A O no hydrogen 3.005 N/A LEU 284.A N THR 280.A O no hydrogen 3.129 N/A ILE 285.A N LEU 281.A O no hydrogen 2.976 N/A ALA 286.A N ASP 282.A O no hydrogen 3.013 N/A LYS 287.A N GLN 283.A O no hydrogen 2.874 N/A LYS 287.A NZ TYR 288.A OH no hydrogen 3.509 N/A TYR 288.A N LEU 284.A O no hydrogen 3.081 N/A TYR 288.A OH ASP 238.A OD2 no hydrogen 2.414 N/A ASP 289.A N ALA 286.A O no hydrogen 3.462 N/A LEU 290.A N ILE 285.A O no hydrogen 2.984 N/A