Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a0j_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 15.A N GLU 273.A OE2 no hydrogen 2.945 N/A THR 17.A N ASP 15.A OD1 no hydrogen 2.786 N/A THR 17.A OG1 ASP 15.A OD1 no hydrogen 2.615 N/A THR 17.A OG1 ASP 15.A OD2 no hydrogen 3.146 N/A THR 19.A N PHE 16.A O no hydrogen 3.003 N/A THR 19.A OG1 PHE 16.A O no hydrogen 3.200 N/A PHE 20.A N PHE 16.A O no hydrogen 2.632 N/A GLY 27.A N SER 65.A O no hydrogen 3.215 N/A SER 30.A OG SER 65.A OG no hydrogen 2.628 N/A THR 33.A N HIS 29.A O no hydrogen 2.927 N/A THR 33.A OG1 HIS 29.A O no hydrogen 2.772 N/A GLU 34.A N SER 30.A O no hydrogen 2.849 N/A HIS 35.A N GLU 31.A O no hydrogen 3.188 N/A HIS 35.A N ARG 32.A O no hydrogen 3.023 N/A ARG 36.A N ARG 32.A O no hydrogen 2.805 N/A ARG 36.A NH2 ALA 73.A O no hydrogen 3.429 N/A ARG 36.A NH2 ASP 74.A OD1 no hydrogen 2.482 N/A LEU 37.A N THR 33.A O no hydrogen 2.974 N/A LEU 38.A N HIS 35.A O no hydrogen 3.187 N/A ASP 39.A N HIS 35.A O no hydrogen 3.296 N/A TRP 40.A N ARG 36.A O no hydrogen 3.156 N/A LEU 41.A N LEU 37.A O no hydrogen 2.871 N/A GLU 42.A N ASP 39.A O no hydrogen 2.985 N/A GLU 43.A N ASP 39.A O no hydrogen 3.401 N/A HIS 44.A N TRP 40.A O no hydrogen 3.108 N/A LYS 53.A N SER 49.A O no hydrogen 3.437 N/A ALA 54.A N ALA 50.A O no hydrogen 3.072 N/A ALA 54.A N LYS 51.A O no hydrogen 2.995 N/A VAL 55.A N LYS 51.A O no hydrogen 3.116 N/A LEU 56.A N ALA 52.A O no hydrogen 3.165 N/A VAL 57.A N LYS 53.A O no hydrogen 3.010 N/A ASN 58.A N ALA 54.A O no hydrogen 3.121 N/A ASN 58.A ND2 GLU 34.A OE1 no hydrogen 3.417 N/A ASN 58.A ND2 GLU 34.A OE2 no hydrogen 3.107 N/A ILE 59.A N VAL 55.A O no hydrogen 3.083 N/A THR 60.A N LEU 56.A O no hydrogen 3.098 N/A THR 60.A OG1 LEU 56.A O no hydrogen 2.581 N/A SER 61.A N VAL 57.A O no hydrogen 2.900 N/A SER 61.A OG VAL 57.A O no hydrogen 2.548 N/A SER 61.A OG ASN 58.A O no hydrogen 3.221 N/A HIS 62.A N ASN 58.A O no hydrogen 2.862 N/A HIS 62.A ND1 ASN 58.A O no hydrogen 3.209 N/A GLY 63.A N ILE 59.A O no hydrogen 2.727 N/A ALA 64.A N THR 60.A O no hydrogen 2.836 N/A SER 65.A N SER 61.A O no hydrogen 3.125 N/A SER 65.A OG SER 30.A OG no hydrogen 2.628 N/A ARG 66.A N GLY 63.A O no hydrogen 3.223 N/A ARG 66.A NH1 HIS 62.A O no hydrogen 3.126 N/A THR 67.A N GLY 63.A O no hydrogen 3.005 N/A THR 67.A OG1 GLY 63.A O no hydrogen 2.852 N/A THR 67.A OG1 SER 307.A OG no hydrogen 2.567 N/A PHE 68.A N ALA 64.A O no hydrogen 2.967 N/A ASP 74.A N ASP 72.A OD1 no hydrogen 3.155 N/A ASP 75.A N ASP 72.A OD1 no hydrogen 3.495 N/A LEU 76.A N ASP 72.A O no hydrogen 2.798 N/A LEU 78.A N ASP 74.A O no hydrogen 3.105 N/A PHE 79.A N ASP 75.A O no hydrogen 3.220 N/A ALA 80.A N LEU 76.A O no hydrogen 2.851 N/A GLU 81.A N LEU 77.A O no hydrogen 2.874 N/A LEU 82.A N LEU 78.A O no hydrogen 2.943 N/A LEU 83.A N PHE 79.A O no hydrogen 2.885 N/A LEU 84.A N ALA 80.A O no hydrogen 2.851 N/A TRP 85.A N GLU 81.A O no hydrogen 2.925 N/A TRP 85.A NE1 PHE 128.A O no hydrogen 3.007 N/A LEU 86.A N LEU 82.A O no hydrogen 2.930 N/A THR 87.A N LEU 83.A O no hydrogen 2.966 N/A THR 87.A OG1 LEU 83.A O no hydrogen 2.686 N/A ALA 88.A N LEU 84.A O no hydrogen 2.780 N/A PHE 89.A N TRP 85.A O no hydrogen 2.886 N/A ASP 90.A N LEU 86.A O no hydrogen 2.987 N/A ASP 91.A N THR 87.A O no hydrogen 2.799 N/A VAL 92.A N ALA 88.A O no hydrogen 2.837 N/A HIS 93.A N PHE 89.A O no hydrogen 2.948 N/A ALA 94.A N ASP 90.A O no hydrogen 3.128 N/A ASN 97.A N ALA 94.A O no hydrogen 2.752 N/A ASN 97.A ND2 ASP 90.A O no hydrogen 3.062 N/A ALA 104.A N GLY 101.A O no hydrogen 3.256 N/A VAL 106.A N PRO 102.A O no hydrogen 2.841 N/A ASP 107.A N ALA 103.A O no hydrogen 2.957 N/A ARG 108.A N ALA 104.A O no hydrogen 2.967 N/A ARG 108.A NE GLU 111.A OE1 no hydrogen 3.071 N/A ARG 108.A NH2 GLU 111.A OE2 no hydrogen 2.739 N/A ALA 109.A N LEU 105.A O no hydrogen 2.685 N/A SER 110.A N VAL 106.A O no hydrogen 2.770 N/A SER 110.A OG VAL 106.A O no hydrogen 2.796 N/A GLU 111.A N ASP 107.A O no hydrogen 3.224 N/A LEU 112.A N ARG 108.A O no hydrogen 3.255 N/A MET 113.A N ALA 109.A O no hydrogen 2.935 N/A LEU 114.A N SER 110.A O no hydrogen 3.050 N/A VAL 115.A N GLU 111.A O no hydrogen 3.244 N/A LEU 116.A N LEU 112.A O no hydrogen 2.977 N/A ALA 117.A N MET 113.A O no hydrogen 2.689 N/A GLY 118.A N VAL 115.A O no hydrogen 3.134 N/A PHE 128.A N SER 126.A OG no hydrogen 3.348 N/A VAL 131.A N PRO 127.A O no hydrogen 3.328 N/A LEU 132.A N PHE 128.A O no hydrogen 2.969 N/A HIS 133.A N PRO 129.A O no hydrogen 2.936 N/A ASP 134.A N ALA 130.A O no hydrogen 3.150 N/A LEU 135.A N VAL 131.A O no hydrogen 2.930 N/A LEU 136.A N LEU 132.A O no hydrogen 2.892 N/A ALA 137.A N HIS 133.A O no hydrogen 3.179 N/A ARG 138.A N ASP 134.A O no hydrogen 3.323 N/A ARG 138.A NH2 GLU 81.A OE1 no hydrogen 2.915 N/A PHE 139.A N LEU 135.A O no hydrogen 3.218 N/A ARG 140.A N LEU 136.A O no hydrogen 2.862 N/A ALA 141.A N ALA 137.A O no hydrogen 3.044 N/A ARG 142.A N PHE 139.A O no hydrogen 3.210 N/A ARG 142.A NH1 ASP 75.A OD1 no hydrogen 2.271 N/A ARG 142.A NH2 ASP 75.A OD2 no hydrogen 3.179 N/A ALA 143.A N PHE 139.A O no hydrogen 2.923 N/A SER 144.A OG GLU 204.A OE1 no hydrogen 2.849 N/A SER 144.A OG GLU 204.A OE2 no hydrogen 3.516 N/A ALA 147.A N SER 144.A OG no hydrogen 3.163 N/A TYR 148.A N SER 144.A O no hydrogen 3.030 N/A HIS 149.A N ALA 145.A O no hydrogen 3.083 N/A ARG 150.A N ALA 146.A O no hydrogen 3.044 N/A LEU 151.A N ALA 147.A O no hydrogen 3.152 N/A ALA 152.A N TYR 148.A O no hydrogen 2.818 N/A ALA 153.A N HIS 149.A O no hydrogen 2.805 N/A SER 154.A N ARG 150.A O no hydrogen 3.106 N/A SER 154.A OG LEU 151.A O no hydrogen 2.879 N/A SER 154.A OG THR 192.A OG1 no hydrogen 2.633 N/A LEU 155.A N LEU 151.A O no hydrogen 3.243 N/A ARG 156.A N ALA 152.A O no hydrogen 3.059 N/A ASP 157.A N ALA 153.A O no hydrogen 2.846 N/A THR 158.A N SER 154.A O no hydrogen 2.967 N/A THR 158.A OG1 SER 154.A O no hydrogen 3.353 N/A THR 158.A OG1 HIS 186.A O no hydrogen 2.598 N/A LEU 159.A N LEU 155.A O no hydrogen 3.022 N/A MET 160.A N ARG 156.A O no hydrogen 3.250 N/A ALA 161.A N ASP 157.A O no hydrogen 3.049 N/A LEU 162.A N THR 158.A O no hydrogen 2.857 N/A VAL 163.A N LEU 159.A O no hydrogen 3.025 N/A TRP 164.A N MET 160.A O no hydrogen 2.888 N/A GLU 165.A N ALA 161.A O no hydrogen 2.959 N/A ALA 166.A N LEU 162.A O no hydrogen 3.045 N/A HIS 167.A N VAL 163.A O no hydrogen 3.235 N/A HIS 167.A N TRP 164.A O no hydrogen 3.083 N/A HIS 167.A ND1 VAL 163.A O no hydrogen 3.128 N/A HIS 168.A N GLU 165.A O no hydrogen 2.914 N/A LYS 171.A N HIS 168.A O no hydrogen 3.244 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.833 N/A GLY 174.A N LYS 171.A O no hydrogen 2.727 N/A VAL 175.A N PRO 172.A O no hydrogen 2.982 N/A THR 179.A N ALA 176.A O no hydrogen 3.001 N/A TYR 180.A N ALA 176.A O no hydrogen 3.100 N/A TYR 180.A OH ASP 231.A OD2 no hydrogen 2.394 N/A LEU 181.A N LEU 177.A O no hydrogen 2.917 N/A ALA 182.A N ALA 178.A O no hydrogen 3.219 N/A MET 183.A N THR 179.A O no hydrogen 2.815 N/A ARG 184.A N TYR 180.A O no hydrogen 2.710 N/A ARG 184.A NE ASP 231.A OD1 no hydrogen 2.988 N/A ARG 184.A NH1 THR 187.A OG1 no hydrogen 2.867 N/A ARG 184.A NH2 ASN 230.A OD1 no hydrogen 3.363 N/A ARG 184.A NH2 ASP 231.A OD1 no hydrogen 2.822 N/A HIS 186.A N MET 183.A O no hydrogen 2.984 N/A THR 187.A N ARG 184.A O no hydrogen 3.003 N/A THR 187.A OG1 ARG 184.A O no hydrogen 3.217 N/A VAL 188.A N ARG 184.A O no hydrogen 3.052 N/A THR 192.A OG1 SER 154.A OG no hydrogen 2.633 N/A ILE 193.A N PHE 189.A O no hydrogen 3.137 N/A THR 194.A N ILE 190.A O no hydrogen 2.992 N/A THR 194.A OG1 ILE 190.A O no hydrogen 2.906 N/A ALA 195.A N LYS 191.A O no hydrogen 3.026 N/A ALA 196.A N THR 192.A O no hydrogen 2.855 N/A GLY 197.A N ILE 193.A O no hydrogen 2.951 N/A GLU 198.A N THR 194.A O no hydrogen 2.855 N/A ILE 199.A N ALA 195.A O no hydrogen 3.398 N/A LEU 200.A N ALA 196.A O no hydrogen 3.000 N/A LEU 201.A N GLY 197.A O no hydrogen 2.791 N/A GLY 202.A N ILE 199.A O no hydrogen 3.139 N/A TYR 203.A N GLU 198.A O no hydrogen 3.075 N/A TYR 203.A OH HIS 297.A ND1 no hydrogen 2.604 N/A THR 206.A N GLN 209.A OE1 no hydrogen 2.426 N/A THR 206.A OG1 THR 206.A O no hydrogen 2.385 N/A THR 206.A OG1 GLN 209.A OE1 no hydrogen 2.959 N/A GLN 209.A N THR 206.A O no hydrogen 2.612 N/A ARG 210.A NH1 GLU 198.A OE2 no hydrogen 2.790 N/A ARG 210.A NH2 GLU 198.A OE1 no hydrogen 2.566 N/A ARG 210.A NH2 GLU 198.A OE2 no hydrogen 3.390 N/A ALA 211.A N THR 208.A O no hydrogen 3.084 N/A LEU 212.A N GLN 209.A O no hydrogen 3.282 N/A VAL 215.A N LEU 212.A O no hydrogen 2.931 N/A ARG 216.A N LEU 212.A O no hydrogen 2.999 N/A ARG 216.A NE ALA 211.A O no hydrogen 3.232 N/A ASN 217.A N ALA 213.A O no hydrogen 2.731 N/A LEU 218.A N ALA 214.A O no hydrogen 3.399 N/A GLU 219.A N VAL 215.A O no hydrogen 3.060 N/A THR 220.A N ARG 216.A O no hydrogen 2.865 N/A THR 220.A OG1 ARG 216.A O no hydrogen 3.073 N/A ALA 221.A N ASN 217.A O no hydrogen 3.036 N/A VAL 222.A N LEU 218.A O no hydrogen 2.940 N/A ALA 223.A N GLU 219.A O no hydrogen 2.961 N/A ASN 224.A N THR 220.A O no hydrogen 2.968 N/A ASN 224.A ND2 GLU 275.A OE2 no hydrogen 2.925 N/A LEU 225.A N ALA 221.A O no hydrogen 2.991 N/A ALA 226.A N VAL 222.A O no hydrogen 2.857 N/A GLY 227.A N ALA 223.A O no hydrogen 3.123 N/A TRP 228.A N ASN 224.A O no hydrogen 2.877 N/A ILE 229.A N LEU 225.A O no hydrogen 3.015 N/A ASN 230.A N ALA 226.A O no hydrogen 3.322 N/A ASP 231.A N GLY 227.A O no hydrogen 2.944 N/A LEU 232.A N TRP 228.A O no hydrogen 2.922 N/A ALA 233.A N ILE 229.A O no hydrogen 2.810 N/A SER 234.A N ASN 230.A O no hydrogen 3.169 N/A SER 234.A OG ASN 230.A O no hydrogen 2.863 N/A SER 234.A OG GLU 238.A OE2.B no hydrogen 3.162 N/A GLU 238.A N.A SER 234.A O no hydrogen 2.927 N/A GLU 238.A N.B SER 234.A O no hydrogen 2.916 N/A MET 239.A N TYR 235.A O no hydrogen 2.941 N/A GLN 240.A N GLU 236.A O no hydrogen 3.161 N/A ARG 241.A N GLU 238.A O.A no hydrogen 3.455 N/A GLN 245.A NE2 HIS 254.A ND1 no hydrogen 3.237 N/A LEU 249.A N ASP 231.A OD2 no hydrogen 2.944 N/A THR 251.A OG1 PRO 246.A O no hydrogen 2.721 N/A LEU 252.A N SER 248.A O no hydrogen 3.243 N/A LEU 252.A N LEU 249.A O no hydrogen 2.925 N/A LEU 253.A N LEU 249.A O no hydrogen 3.007 N/A HIS 254.A N PRO 250.A O no hydrogen 2.982 N/A HIS 254.A NE2 GLY 259.A O no hydrogen 3.019 N/A ALA 255.A N THR 251.A O no hydrogen 3.061 N/A ARG 256.A N LEU 252.A O no hydrogen 2.794 N/A HIS 257.A N LEU 253.A O no hydrogen 2.901 N/A THR 260.A N GLU 263.A OE1 no hydrogen 2.743 N/A GLU 262.A N GLU 262.A OE1 no hydrogen 2.972 N/A GLU 263.A N THR 260.A OG1 no hydrogen 3.336 N/A ALA 264.A N THR 260.A O no hydrogen 2.959 N/A PHE 265.A N ILE 261.A O no hydrogen 2.966 N/A THR 266.A N GLU 262.A O no hydrogen 3.058 N/A THR 266.A OG1 GLU 262.A O no hydrogen 3.087 N/A ARG 267.A N GLU 263.A O no hydrogen 2.958 N/A ALA 268.A N ALA 264.A O no hydrogen 2.897 N/A SER 269.A N PHE 265.A O no hydrogen 2.750 N/A SER 269.A OG PRO 12.A O no hydrogen 2.900 N/A SER 269.A OG PHE 265.A O no hydrogen 2.592 N/A SER 270.A N THR 266.A O no hydrogen 2.923 N/A MET 271.A N ARG 267.A O no hydrogen 2.848 N/A CYS 272.A N ALA 268.A O no hydrogen 2.823 N/A CYS 272.A SG ALA 268.A O no hydrogen 3.307 N/A GLU 273.A N SER 269.A O no hydrogen 2.997 N/A ASN 274.A N SER 270.A O no hydrogen 3.109 N/A GLU 275.A N MET 271.A O no hydrogen 3.063 N/A ALA 276.A N CYS 272.A O no hydrogen 2.751 N/A ALA 277.A N GLU 273.A O no hydrogen 2.930 N/A VAL 278.A N ASN 274.A O no hydrogen 2.914 N/A ALA 279.A N GLU 275.A O no hydrogen 2.896 N/A ARG 280.A N ALA 276.A O no hydrogen 2.891 N/A ARG 280.A NE THR 19.A O no hydrogen 2.994 N/A ARG 280.A NH1 GLU 302.A OE2 no hydrogen 2.422 N/A ARG 280.A NH2 THR 19.A O no hydrogen 2.971 N/A ARG 280.A NH2 GLU 302.A OE2 no hydrogen 2.857 N/A ARG 281.A N ALA 277.A O no hydrogen 2.977 N/A GLY 282.A N VAL 278.A O no hydrogen 2.843 N/A ILE 283.A N ALA 279.A O no hydrogen 2.858 N/A THR 284.A N ARG 280.A O no hydrogen 2.922 N/A THR 284.A OG1 ARG 280.A O no hydrogen 3.005 N/A HIS 285.A N ARG 281.A O no hydrogen 2.988 N/A LEU 286.A N GLY 282.A O no hydrogen 3.042 N/A ALA 287.A N THR 284.A O no hydrogen 3.027 N/A LEU 294.A N PRO 291.A O no hydrogen 3.244 N/A THR 295.A N PRO 291.A O no hydrogen 3.466 N/A THR 295.A OG1 ASN 292.A O no hydrogen 2.555 N/A HIS 297.A N THR 295.A O no hydrogen 2.253 N/A HIS 297.A ND1 TYR 203.A OH no hydrogen 2.604 N/A HIS 297.A NE2 GLU 219.A OE2 no hydrogen 3.024 N/A ALA 298.A N LEU 294.A O no hydrogen 3.375 N/A ALA 300.A N ALA 296.A O no hydrogen 2.543 N/A LEU 301.A N HIS 297.A O no hydrogen 2.731 N/A GLU 302.A N ALA 298.A O no hydrogen 3.035 N/A ASP 303.A N ARG 299.A O no hydrogen 3.157 N/A ILE 304.A N ALA 300.A O no hydrogen 3.101 N/A THR 305.A N LEU 301.A O no hydrogen 3.021 N/A THR 305.A OG1 LEU 301.A O no hydrogen 2.727 N/A ARG 306.A N GLU 302.A O no hydrogen 2.963 N/A ARG 306.A NH2 ASP 303.A OD1 no hydrogen 3.402 N/A SER 307.A N ASP 303.A O no hydrogen 2.804 N/A SER 307.A OG GLY 63.A O no hydrogen 2.613 N/A SER 307.A OG THR 67.A OG1 no hydrogen 2.567 N/A PHE 308.A N ILE 304.A O no hydrogen 3.089 N/A ILE 309.A N THR 305.A O no hydrogen 3.032 N/A TRP 310.A N ARG 306.A O no hydrogen 2.922 N/A HIS 311.A N.A SER 307.A O no hydrogen 2.914 N/A HIS 311.A N.B SER 307.A O no hydrogen 2.845 N/A HIS 311.A ND1.B SER 307.A O no hydrogen 2.443 N/A THR 312.A OG1 ILE 309.A O no hydrogen 2.816 N/A SER 313.A N TRP 310.A O no hydrogen 3.141 N/A HIS 314.A N HIS 311.A O.A no hydrogen 3.167 N/A HIS 314.A N HIS 311.A O.B no hydrogen 2.948 N/A HIS 314.A NE2 ASN 58.A OD1 no hydrogen 2.856 N/A ARG 316.A N HIS 314.A ND1 no hydrogen 3.073 N/A ARG 316.A NH1 ASP 91.A OD2 no hydrogen 2.831 N/A ARG 316.A NH2 ASP 91.A OD1 no hydrogen 2.959 N/A ARG 316.A NH2 ASP 91.A OD2 no hydrogen 3.026 N/A TYR 317.A N HIS 314.A O no hydrogen 3.004 N/A GLN 318.A N HIS 314.A O no hydrogen 3.201 N/A GLN 318.A NE2 THR 312.A O no hydrogen 2.586 N/A GLY 319.A N ALA 315.A O no hydrogen 3.271 N/A