Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a0k_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 15.A N GLU 273.A OE2 no hydrogen 2.851 N/A THR 17.A N ASP 15.A OD1 no hydrogen 3.151 N/A THR 17.A OG1 ASP 15.A OD1 no hydrogen 2.828 N/A THR 17.A OG1 ASP 15.A OD2 no hydrogen 2.892 N/A THR 19.A N PHE 16.A O no hydrogen 3.190 N/A THR 19.A OG1 PHE 16.A O no hydrogen 3.538 N/A PHE 20.A N PHE 16.A O no hydrogen 2.648 N/A GLY 27.A N SER 65.A O no hydrogen 2.867 N/A SER 30.A OG SER 65.A OG no hydrogen 2.739 N/A THR 33.A N HIS 29.A O no hydrogen 3.374 N/A THR 33.A OG1 HIS 29.A O no hydrogen 2.668 N/A GLU 34.A N SER 30.A O no hydrogen 3.181 N/A HIS 35.A N GLU 31.A O no hydrogen 3.164 N/A ARG 36.A N ARG 32.A O no hydrogen 2.623 N/A ARG 36.A NH1 ASP 74.A OD1 no hydrogen 2.823 N/A ARG 36.A NH2 ASP 74.A OD1 no hydrogen 2.543 N/A LEU 37.A N THR 33.A O no hydrogen 2.916 N/A LEU 38.A N HIS 35.A O no hydrogen 2.735 N/A ASP 39.A N HIS 35.A O no hydrogen 3.255 N/A TRP 40.A N LEU 37.A O no hydrogen 3.276 N/A ALA 52.A N SER 49.A OG no hydrogen 3.305 N/A ALA 54.A N ALA 50.A O no hydrogen 3.037 N/A VAL 55.A N LYS 51.A O no hydrogen 3.298 N/A LEU 56.A N ALA 52.A O no hydrogen 3.244 N/A VAL 57.A N LYS 53.A O no hydrogen 2.960 N/A ASN 58.A N ALA 54.A O no hydrogen 3.103 N/A ASN 58.A ND2 GLU 34.A OE2 no hydrogen 3.408 N/A ILE 59.A N VAL 55.A O no hydrogen 3.068 N/A THR 60.A N LEU 56.A O no hydrogen 3.090 N/A THR 60.A OG1 LEU 56.A O no hydrogen 2.570 N/A SER 61.A N VAL 57.A O no hydrogen 2.938 N/A SER 61.A OG VAL 57.A O no hydrogen 2.573 N/A HIS 62.A N ASN 58.A O no hydrogen 3.085 N/A GLY 63.A N ILE 59.A O no hydrogen 2.983 N/A ALA 64.A N THR 60.A O no hydrogen 2.812 N/A SER 65.A N SER 61.A O no hydrogen 3.184 N/A SER 65.A OG SER 30.A OG no hydrogen 2.739 N/A SER 65.A OG SER 61.A O no hydrogen 3.289 N/A ARG 66.A N GLY 63.A O no hydrogen 3.350 N/A ARG 66.A NH1 HIS 62.A O no hydrogen 2.665 N/A THR 67.A N GLY 63.A O no hydrogen 3.123 N/A THR 67.A OG1 GLY 63.A O no hydrogen 2.784 N/A THR 67.A OG1 SER 307.A OG no hydrogen 2.831 N/A PHE 68.A N ALA 64.A O no hydrogen 2.961 N/A LEU 76.A N ASP 72.A O no hydrogen 2.960 N/A LEU 77.A N ALA 73.A O no hydrogen 3.292 N/A LEU 78.A N ASP 74.A O no hydrogen 3.064 N/A PHE 79.A N ASP 75.A O no hydrogen 3.247 N/A ALA 80.A N LEU 76.A O no hydrogen 2.871 N/A GLU 81.A N LEU 77.A O no hydrogen 2.812 N/A LEU 82.A N LEU 78.A O no hydrogen 3.062 N/A LEU 83.A N PHE 79.A O no hydrogen 2.925 N/A LEU 84.A N ALA 80.A O no hydrogen 3.029 N/A TRP 85.A N GLU 81.A O no hydrogen 2.961 N/A TRP 85.A NE1 PHE 128.A O no hydrogen 2.992 N/A LEU 86.A N LEU 82.A O no hydrogen 2.982 N/A THR 87.A N LEU 83.A O no hydrogen 2.899 N/A THR 87.A OG1 LEU 83.A O no hydrogen 2.656 N/A ALA 88.A N LEU 84.A O no hydrogen 2.770 N/A PHE 89.A N TRP 85.A O no hydrogen 3.021 N/A ASP 90.A N LEU 86.A O no hydrogen 3.183 N/A ASP 91.A N THR 87.A O no hydrogen 2.972 N/A VAL 92.A N ALA 88.A O no hydrogen 2.894 N/A HIS 93.A N PHE 89.A O no hydrogen 2.865 N/A ALA 94.A N PHE 89.A O no hydrogen 3.387 N/A GLU 95.A N ASP 90.A O no hydrogen 2.787 N/A GLY 96.A N HIS 93.A O no hydrogen 3.425 N/A GLY 98.A N ASN 97.A OD1 no hydrogen 2.173 N/A LEU 105.A N GLY 101.A O no hydrogen 3.300 N/A VAL 106.A N PRO 102.A O no hydrogen 2.893 N/A ASP 107.A N ALA 103.A O no hydrogen 3.067 N/A ARG 108.A N ALA 104.A O no hydrogen 3.078 N/A ARG 108.A NE GLU 111.A OE1 no hydrogen 3.246 N/A ARG 108.A NH2 GLU 111.A OE2 no hydrogen 2.780 N/A ALA 109.A N LEU 105.A O no hydrogen 2.699 N/A SER 110.A N VAL 106.A O no hydrogen 2.762 N/A SER 110.A OG VAL 106.A O no hydrogen 2.736 N/A GLU 111.A N ASP 107.A O no hydrogen 3.238 N/A LEU 112.A N ARG 108.A O no hydrogen 3.270 N/A MET 113.A N ALA 109.A O no hydrogen 2.885 N/A LEU 114.A N SER 110.A O no hydrogen 3.147 N/A VAL 115.A N GLU 111.A O no hydrogen 3.290 N/A LEU 116.A N LEU 112.A O no hydrogen 2.940 N/A ALA 117.A N MET 113.A O no hydrogen 2.690 N/A GLY 118.A N VAL 115.A O no hydrogen 3.024 N/A VAL 131.A N PRO 127.A O no hydrogen 3.335 N/A LEU 132.A N PHE 128.A O no hydrogen 3.069 N/A HIS 133.A N PRO 129.A O no hydrogen 3.083 N/A ASP 134.A N ALA 130.A O no hydrogen 3.312 N/A LEU 135.A N VAL 131.A O no hydrogen 3.076 N/A LEU 136.A N LEU 132.A O no hydrogen 2.877 N/A ALA 137.A N HIS 133.A O no hydrogen 3.254 N/A ARG 138.A N ASP 134.A O no hydrogen 3.117 N/A ARG 138.A NH1 GLU 81.A OE1 no hydrogen 2.786 N/A PHE 139.A N LEU 135.A O no hydrogen 3.083 N/A ARG 140.A N LEU 136.A O no hydrogen 2.919 N/A ALA 141.A N ALA 137.A O no hydrogen 3.214 N/A ARG 142.A N PHE 139.A O no hydrogen 3.258 N/A ARG 142.A NH1 ASP 75.A OD1 no hydrogen 2.409 N/A ARG 142.A NH1 ASP 75.A OD2 no hydrogen 3.204 N/A ARG 142.A NH2 ASP 75.A OD2 no hydrogen 2.687 N/A ALA 143.A N PHE 139.A O no hydrogen 2.775 N/A SER 144.A OG GLU 204.A OE1 no hydrogen 2.968 N/A ALA 147.A N SER 144.A OG no hydrogen 3.240 N/A TYR 148.A N SER 144.A O no hydrogen 3.006 N/A HIS 149.A N ALA 145.A O no hydrogen 3.240 N/A ARG 150.A N ALA 146.A O no hydrogen 3.204 N/A LEU 151.A N ALA 147.A O no hydrogen 3.183 N/A ALA 152.A N TYR 148.A O no hydrogen 2.888 N/A ALA 153.A N HIS 149.A O no hydrogen 2.889 N/A SER 154.A N ARG 150.A O no hydrogen 3.173 N/A SER 154.A OG LEU 151.A O no hydrogen 2.643 N/A SER 154.A OG THR 192.A OG1 no hydrogen 2.975 N/A LEU 155.A N LEU 151.A O no hydrogen 3.255 N/A ARG 156.A N ALA 152.A O no hydrogen 3.015 N/A ARG 156.A NH2 LEU 116.A O no hydrogen 2.973 N/A ASP 157.A N ALA 153.A O no hydrogen 2.916 N/A THR 158.A N SER 154.A O no hydrogen 2.998 N/A THR 158.A OG1 SER 154.A O no hydrogen 2.977 N/A THR 158.A OG1 HIS 186.A O no hydrogen 2.795 N/A LEU 159.A N LEU 155.A O no hydrogen 3.032 N/A MET 160.A N ARG 156.A O no hydrogen 3.268 N/A ALA 161.A N ASP 157.A O no hydrogen 3.084 N/A LEU 162.A N THR 158.A O no hydrogen 2.845 N/A VAL 163.A N LEU 159.A O no hydrogen 3.144 N/A TRP 164.A N MET 160.A O no hydrogen 3.013 N/A GLU 165.A N ALA 161.A O no hydrogen 2.975 N/A ALA 166.A N LEU 162.A O no hydrogen 3.072 N/A HIS 167.A N VAL 163.A O no hydrogen 3.295 N/A HIS 167.A N TRP 164.A O no hydrogen 3.159 N/A HIS 167.A ND1 VAL 163.A O no hydrogen 2.842 N/A HIS 168.A N GLU 165.A O no hydrogen 3.098 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.664 N/A GLY 174.A N LYS 171.A O no hydrogen 2.968 N/A VAL 175.A N PRO 172.A O no hydrogen 3.250 N/A TYR 180.A N ALA 176.A O no hydrogen 3.200 N/A TYR 180.A OH ASP 231.A OD2 no hydrogen 2.398 N/A LEU 181.A N LEU 177.A O no hydrogen 2.977 N/A ALA 182.A N ALA 178.A O no hydrogen 3.324 N/A MET 183.A N THR 179.A O no hydrogen 3.018 N/A ARG 184.A N TYR 180.A O no hydrogen 2.791 N/A ARG 184.A NE ASP 231.A OD1 no hydrogen 2.979 N/A ARG 184.A NH1 THR 187.A OG1 no hydrogen 2.801 N/A ARG 184.A NH2 ASP 231.A OD1 no hydrogen 3.029 N/A HIS 186.A N MET 183.A O no hydrogen 3.057 N/A THR 187.A N ARG 184.A O no hydrogen 2.964 N/A THR 187.A OG1 ARG 184.A O no hydrogen 2.957 N/A VAL 188.A N ARG 184.A O no hydrogen 2.961 N/A THR 192.A OG1 SER 154.A OG no hydrogen 2.975 N/A ILE 193.A N PHE 189.A O no hydrogen 3.236 N/A THR 194.A N ILE 190.A O no hydrogen 3.111 N/A THR 194.A OG1 ILE 190.A O no hydrogen 2.818 N/A ALA 195.A N LYS 191.A O no hydrogen 2.933 N/A ALA 196.A N THR 192.A O no hydrogen 2.862 N/A GLU 198.A N THR 194.A O no hydrogen 3.081 N/A LEU 200.A N ALA 196.A O no hydrogen 3.151 N/A LEU 201.A N GLY 197.A O no hydrogen 2.820 N/A GLY 202.A N ILE 199.A O no hydrogen 3.388 N/A TYR 203.A N GLU 198.A O no hydrogen 3.000 N/A TYR 203.A OH HIS 297.A ND1 no hydrogen 2.679 N/A THR 206.A N GLN 209.A OE1 no hydrogen 2.756 N/A GLN 209.A N THR 206.A OG1 no hydrogen 2.992 N/A ARG 210.A N THR 206.A O no hydrogen 2.891 N/A ARG 210.A NH1 GLU 198.A OE2 no hydrogen 2.956 N/A ARG 210.A NH2 GLU 198.A OE1 no hydrogen 2.567 N/A ARG 210.A NH2 GLU 198.A OE2 no hydrogen 3.127 N/A ALA 211.A N THR 208.A O no hydrogen 3.160 N/A ARG 216.A N LEU 212.A O no hydrogen 3.256 N/A ARG 216.A NH1 ARG 210.A O no hydrogen 3.355 N/A ASN 217.A N ALA 213.A O no hydrogen 2.779 N/A GLU 219.A N VAL 215.A O no hydrogen 3.162 N/A THR 220.A N ARG 216.A O no hydrogen 2.826 N/A THR 220.A OG1 ARG 216.A O no hydrogen 2.939 N/A ALA 221.A N ASN 217.A O no hydrogen 3.083 N/A VAL 222.A N LEU 218.A O no hydrogen 2.924 N/A ALA 223.A N GLU 219.A O no hydrogen 2.963 N/A ASN 224.A N THR 220.A O no hydrogen 2.974 N/A ASN 224.A ND2 GLU 275.A OE2 no hydrogen 2.611 N/A LEU 225.A N ALA 221.A O no hydrogen 2.992 N/A ALA 226.A N VAL 222.A O no hydrogen 2.894 N/A GLY 227.A N ALA 223.A O no hydrogen 3.242 N/A TRP 228.A N ASN 224.A O no hydrogen 2.866 N/A ILE 229.A N LEU 225.A O no hydrogen 3.022 N/A ASP 231.A N GLY 227.A O no hydrogen 3.027 N/A LEU 232.A N TRP 228.A O no hydrogen 3.021 N/A ALA 233.A N ILE 229.A O no hydrogen 2.861 N/A SER 234.A N ASN 230.A O no hydrogen 3.094 N/A SER 234.A OG ASN 230.A O no hydrogen 2.954 N/A TYR 235.A N LEU 232.A O no hydrogen 3.456 N/A ARG 237.A NE ARG 316.A O no hydrogen 3.005 N/A GLU 238.A N SER 234.A O no hydrogen 2.929 N/A GLN 240.A N GLU 238.A O no hydrogen 2.216 N/A GLN 245.A NE2 TYR 235.A OH no hydrogen 3.264 N/A GLN 245.A NE2 HIS 254.A ND1 no hydrogen 3.475 N/A LEU 249.A N ASP 231.A OD2 no hydrogen 3.173 N/A THR 251.A OG1 PRO 246.A O no hydrogen 2.725 N/A LEU 252.A N SER 248.A O no hydrogen 3.285 N/A LEU 253.A N LEU 249.A O no hydrogen 3.025 N/A HIS 254.A N PRO 250.A O no hydrogen 3.036 N/A HIS 254.A NE2 GLY 259.A O no hydrogen 2.853 N/A ALA 255.A N THR 251.A O no hydrogen 3.104 N/A ARG 256.A N LEU 252.A O no hydrogen 2.876 N/A HIS 257.A N LEU 253.A O no hydrogen 3.015 N/A THR 260.A N GLU 263.A OE1 no hydrogen 2.965 N/A THR 260.A OG1 GLU 262.A OE1 no hydrogen 3.430 N/A GLU 262.A N GLU 262.A OE1 no hydrogen 2.829 N/A ALA 264.A N THR 260.A O no hydrogen 3.170 N/A PHE 265.A N ILE 261.A O no hydrogen 3.020 N/A THR 266.A N GLU 262.A O no hydrogen 3.021 N/A THR 266.A OG1 GLU 262.A O no hydrogen 2.923 N/A ARG 267.A N GLU 263.A O no hydrogen 3.058 N/A ALA 268.A N ALA 264.A O no hydrogen 2.915 N/A SER 269.A N PHE 265.A O no hydrogen 2.779 N/A SER 269.A OG PRO 12.A O no hydrogen 2.884 N/A SER 269.A OG PHE 265.A O no hydrogen 2.698 N/A SER 270.A N THR 266.A O no hydrogen 3.013 N/A MET 271.A N ARG 267.A O no hydrogen 2.983 N/A CYS 272.A N ALA 268.A O no hydrogen 2.942 N/A CYS 272.A SG ALA 268.A O no hydrogen 3.228 N/A GLU 273.A N SER 269.A O no hydrogen 2.993 N/A ASN 274.A N SER 270.A O no hydrogen 3.060 N/A GLU 275.A N MET 271.A O no hydrogen 2.913 N/A ALA 276.A N CYS 272.A O no hydrogen 2.786 N/A ALA 277.A N GLU 273.A O no hydrogen 3.053 N/A VAL 278.A N ASN 274.A O no hydrogen 3.033 N/A ALA 279.A N GLU 275.A O no hydrogen 2.960 N/A ARG 280.A N ALA 276.A O no hydrogen 2.954 N/A ARG 280.A NE THR 19.A O no hydrogen 2.877 N/A ARG 280.A NH1 GLU 302.A OE2 no hydrogen 2.591 N/A ARG 280.A NH2 THR 19.A O no hydrogen 2.802 N/A ARG 280.A NH2 GLU 302.A OE2 no hydrogen 3.236 N/A ARG 281.A N ALA 277.A O no hydrogen 3.055 N/A GLY 282.A N VAL 278.A O no hydrogen 3.004 N/A ILE 283.A N ALA 279.A O no hydrogen 2.877 N/A THR 284.A N ARG 280.A O no hydrogen 3.008 N/A THR 284.A OG1 ARG 280.A O no hydrogen 3.243 N/A THR 284.A OG1 ARG 281.A O no hydrogen 2.743 N/A HIS 285.A N ARG 281.A O no hydrogen 2.905 N/A LEU 286.A N GLY 282.A O no hydrogen 2.999 N/A HIS 288.A N HIS 285.A O no hydrogen 3.317 N/A THR 295.A OG1 ASN 292.A O no hydrogen 2.341 N/A HIS 297.A N THR 295.A O no hydrogen 2.222 N/A HIS 297.A ND1 TYR 203.A OH no hydrogen 2.679 N/A HIS 297.A NE2 GLU 219.A OE2 no hydrogen 3.076 N/A ALA 300.A N ALA 296.A O no hydrogen 2.390 N/A LEU 301.A N HIS 297.A O no hydrogen 2.838 N/A GLU 302.A N ALA 298.A O no hydrogen 3.171 N/A ASP 303.A N ARG 299.A O no hydrogen 3.200 N/A ILE 304.A N ALA 300.A O no hydrogen 2.994 N/A THR 305.A N LEU 301.A O no hydrogen 3.036 N/A THR 305.A OG1 LEU 301.A O no hydrogen 2.534 N/A ARG 306.A N GLU 302.A O no hydrogen 2.789 N/A ARG 306.A NE ASP 303.A OD1 no hydrogen 3.410 N/A ARG 306.A NH2 ASP 303.A OD1 no hydrogen 3.252 N/A SER 307.A N ASP 303.A O no hydrogen 2.861 N/A SER 307.A OG GLY 63.A O no hydrogen 2.628 N/A SER 307.A OG THR 67.A OG1 no hydrogen 2.831 N/A PHE 308.A N ILE 304.A O no hydrogen 3.092 N/A ILE 309.A N THR 305.A O no hydrogen 3.131 N/A TRP 310.A N ARG 306.A O no hydrogen 3.061 N/A HIS 311.A N.A SER 307.A O no hydrogen 3.065 N/A HIS 311.A N.B SER 307.A O no hydrogen 3.005 N/A THR 312.A OG1 ILE 309.A O no hydrogen 2.632 N/A SER 313.A N TRP 310.A O no hydrogen 3.209 N/A HIS 314.A N HIS 311.A O.A no hydrogen 3.295 N/A HIS 314.A N HIS 311.A O.B no hydrogen 2.875 N/A HIS 314.A NE2 ASN 58.A OD1 no hydrogen 2.714 N/A ARG 316.A N HIS 314.A ND1 no hydrogen 3.116 N/A ARG 316.A NH1 ASP 91.A OD2 no hydrogen 3.233 N/A ARG 316.A NH2 ASP 91.A OD1 no hydrogen 3.229 N/A ARG 316.A NH2 ASP 91.A OD2 no hydrogen 3.085 N/A TYR 317.A N HIS 314.A O no hydrogen 3.316 N/A GLY 319.A N ALA 315.A O no hydrogen 2.887 N/A