Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dqb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE SER 35.A O no hydrogen 2.746 N/A ALA 6.A N SER 3.A OG no hydrogen 3.249 N/A LEU 7.A N SER 3.A O no hydrogen 2.826 N/A LEU 8.A N ARG 4.A O no hydrogen 2.694 N/A GLU 9.A N GLU 5.A O no hydrogen 2.972 N/A LEU 10.A N ALA 6.A O no hydrogen 2.812 N/A GLU 11.A N LEU 7.A O no hydrogen 2.664 N/A ALA 12.A N LEU 8.A O no hydrogen 3.257 N/A SER 13.A OG ALA 12.A O no hydrogen 2.704 N/A ARG 14.A N GLU 11.A O no hydrogen 3.098 N/A LEU 15.A N GLU 11.A O no hydrogen 3.056 N/A ALA 16.A N GLY 92.A O no hydrogen 2.807 N/A TYR 18.A OH LEU 91.A O no hydrogen 2.748 N/A ALA 19.A N ALA 16.A O no hydrogen 3.039 N/A GLN 20.A N GLU 173.A OE1 no hydrogen 2.818 N/A GLN 20.A NE2 LYS 21.A O no hydrogen 3.073 N/A LYS 21.A NZ ALA 16.A O no hydrogen 2.846 N/A LYS 21.A NZ PRO 17.A O no hydrogen 2.746 N/A LYS 21.A NZ ALA 19.A O no hydrogen 2.674 N/A ALA 22.A N GLU 11.A OE1 no hydrogen 2.617 N/A ASP 24.A N LYS 21.A O no hydrogen 3.069 N/A THR 25.A N ALA 22.A O no hydrogen 3.224 N/A THR 25.A OG1 GLU 157.A OE2 no hydrogen 2.429 N/A ARG 26.A N GLU 157.A OE1 no hydrogen 3.146 N/A GLY 27.A N THR 25.A OG1 no hydrogen 2.976 N/A ARG 28.A NH1 ASP 44.A OD1 no hydrogen 2.871 N/A ARG 28.A NH1 ASN 153.A O no hydrogen 2.687 N/A ARG 28.A NH2 PRO 40.A O no hydrogen 3.179 N/A ARG 28.A NH2 ASP 44.A OD1 no hydrogen 3.393 N/A SER 35.A OG ARG 38.A O no hydrogen 3.223 N/A ARG 38.A NH2 ASP 46.A OD2 no hydrogen 2.713 N/A TYR 41.A OH GLU 157.A OE2 no hydrogen 3.172 N/A LYS 43.A N THR 39.A O no hydrogen 2.897 N/A LYS 43.A NZ GLU 32.A OE2 no hydrogen 2.834 N/A ASP 44.A N PRO 40.A O no hydrogen 3.112 N/A ARG 45.A N TYR 41.A O no hydrogen 2.826 N/A ASP 46.A N GLN 42.A O no hydrogen 3.137 N/A ARG 47.A N LYS 43.A O no hydrogen 2.995 N/A ARG 47.A NH1 GLU 32.A OE1 no hydrogen 3.218 N/A ARG 47.A NH1 LEU 152.A O no hydrogen 2.618 N/A ARG 47.A NH2 GLU 32.A OE1 no hydrogen 2.810 N/A ILE 48.A N ASP 44.A O no hydrogen 2.885 N/A LEU 49.A N ARG 45.A O no hydrogen 3.054 N/A HIS 50.A N ARG 47.A O no hydrogen 3.044 N/A THR 51.A N ILE 48.A O no hydrogen 3.049 N/A THR 51.A OG1 ILE 48.A O no hydrogen 2.748 N/A THR 52.A N GLU 143.A OE1 no hydrogen 3.132 N/A ALA 53.A N GLU 143.A OE2 no hydrogen 2.768 N/A PHE 54.A N THR 51.A OG1 no hydrogen 3.061 N/A ARG 55.A N THR 51.A O no hydrogen 3.382 N/A ARG 56.A N THR 52.A O no hydrogen 2.878 N/A LEU 57.A N PHE 54.A O no hydrogen 3.243 N/A GLU 58.A N ARG 55.A O no hydrogen 3.129 N/A TYR 59.A N ARG 56.A O no hydrogen 2.633 N/A LYS 60.A NZ HIS 109.A O no hydrogen 2.790 N/A LYS 60.A NZ ALA 344.A O no hydrogen 2.921 N/A THR 61.A N ASP 347.A OD2 no hydrogen 2.980 N/A THR 61.A OG1 GLN 62.A O no hydrogen 3.188 N/A THR 61.A OG1 LEU 64.A O no hydrogen 3.111 N/A THR 61.A OG1 TYR 70.A O no hydrogen 3.160 N/A GLY 66.A N ASP 347.A OD2 no hydrogen 3.353 N/A TRP 67.A NE1 GLU 300.A OE1 no hydrogen 2.613 N/A ARG 71.A NH2 HIS 188.A ND1 no hydrogen 3.167 N/A ARG 73.A N LYS 60.A O no hydrogen 2.780 N/A LEU 74.A N LEU 57.A O no hydrogen 3.026 N/A THR 75.A OG1 ARG 71.A O no hydrogen 3.361 N/A HIS 76.A N THR 72.A O no hydrogen 3.129 N/A HIS 76.A NE2 ASP 181.A OD1 no hydrogen 2.813 N/A THR 77.A N ARG 73.A O no hydrogen 3.047 N/A THR 77.A OG1 ARG 73.A O no hydrogen 3.088 N/A LEU 78.A N LEU 74.A O no hydrogen 2.971 N/A GLU 79.A N THR 75.A O no hydrogen 2.958 N/A VAL 80.A N HIS 76.A O no hydrogen 2.731 N/A ALA 81.A N THR 77.A O no hydrogen 2.682 N/A GLN 82.A N LEU 78.A O no hydrogen 2.913 N/A VAL 83.A N GLU 79.A O no hydrogen 3.069 N/A SER 84.A N VAL 80.A O no hydrogen 2.953 N/A SER 84.A OG VAL 80.A O no hydrogen 2.771 N/A SER 84.A OG ALA 81.A O no hydrogen 3.200 N/A ARG 85.A N ALA 81.A O no hydrogen 3.016 N/A ARG 85.A NE GLU 95.A OE2 no hydrogen 2.833 N/A ARG 85.A NH2 GLU 95.A OE2 no hydrogen 3.024 N/A SER 86.A N GLN 82.A O no hydrogen 3.078 N/A ILE 87.A N VAL 83.A O no hydrogen 2.937 N/A ALA 88.A N SER 84.A O no hydrogen 2.664 N/A ARG 89.A N ARG 85.A O no hydrogen 2.867 N/A ARG 89.A NE GLU 95.A OE1 no hydrogen 2.932 N/A ARG 89.A NH2 GLU 95.A OE1 no hydrogen 3.243 N/A ALA 90.A N SER 86.A O no hydrogen 3.260 N/A LEU 91.A N ILE 87.A O no hydrogen 3.106 N/A LEU 91.A N ALA 88.A O no hydrogen 2.879 N/A GLY 92.A N ARG 89.A O no hydrogen 3.058 N/A LEU 93.A N ALA 88.A O no hydrogen 2.966 N/A ASN 94.A N GLU 173.A OE1 no hydrogen 2.891 N/A ASN 94.A ND2 GLU 11.A OE1 no hydrogen 3.001 N/A ASN 94.A ND2 GLN 20.A O no hydrogen 2.473 N/A LEU 97.A N ASN 94.A OD1 no hydrogen 3.250 N/A THR 98.A N ASN 94.A O no hydrogen 3.060 N/A THR 98.A OG1 ASN 94.A O no hydrogen 2.606 N/A GLU 99.A N GLU 95.A O no hydrogen 2.849 N/A ALA 100.A N ASP 96.A O no hydrogen 3.015 N/A ILE 101.A N LEU 97.A O no hydrogen 3.024 N/A ALA 102.A N THR 98.A O no hydrogen 2.985 N/A LEU 103.A N GLU 99.A O no hydrogen 2.869 N/A SER 104.A N ALA 100.A O no hydrogen 3.162 N/A SER 104.A N ILE 101.A O no hydrogen 3.118 N/A SER 104.A OG ALA 100.A O no hydrogen 2.841 N/A SER 104.A OG ILE 101.A O no hydrogen 3.270 N/A HIS 105.A N ILE 101.A O no hydrogen 2.838 N/A LEU 107.A N SER 104.A O no hydrogen 3.120 N/A PHE 112.A N ASP 347.A OD1 no hydrogen 2.794 N/A THR 115.A N GLY 113.A O no hydrogen 2.405 N/A THR 115.A OG1 GLY 113.A O no hydrogen 3.279 N/A GLY 116.A N PHE 112.A O no hydrogen 2.789 N/A HIS 118.A N HIS 114.A O no hydrogen 3.322 N/A VAL 119.A N THR 115.A O no hydrogen 3.179 N/A LEU 120.A N GLY 116.A O no hydrogen 2.907 N/A ASN 121.A N GLU 117.A O no hydrogen 2.976 N/A ALA 122.A N HIS 118.A O no hydrogen 3.181 N/A LEU 123.A N VAL 119.A O no hydrogen 2.844 N/A HIS 131.A N GLU 117.A OE2 no hydrogen 3.134 N/A ASN 132.A N GLU 130.A OE1 no hydrogen 3.290 N/A ALA 133.A N GLU 130.A OE2 no hydrogen 2.844 N/A GLN 134.A N GLU 130.A O no hydrogen 2.851 N/A GLN 134.A NE2 ASP 341.A OD1 no hydrogen 2.969 N/A ALA 135.A N HIS 131.A O no hydrogen 3.111 N/A LEU 136.A N ASN 132.A O no hydrogen 3.192 N/A ARG 137.A N ALA 133.A O no hydrogen 2.858 N/A ARG 137.A NE ASP 341.A OD1 no hydrogen 2.905 N/A ARG 137.A NH2 GLU 333.A OE1 no hydrogen 2.985 N/A ARG 137.A NH2 ASP 341.A OD2 no hydrogen 2.841 N/A ILE 138.A N GLN 134.A O no hydrogen 2.950 N/A LEU 139.A N ALA 135.A O no hydrogen 3.070 N/A THR 140.A N LEU 136.A O no hydrogen 2.840 N/A THR 140.A OG1 LEU 136.A O no hydrogen 2.848 N/A HIS 141.A NE2 GLU 333.A OE2 no hydrogen 3.002 N/A LEU 142.A N ARG 137.A O no hydrogen 2.974 N/A GLU 143.A N ILE 138.A O no hydrogen 2.974 N/A PHE 149.A N TYR 146.A O no hydrogen 3.461 N/A ARG 150.A NH1 HIS 141.A NE2 no hydrogen 2.730 N/A GLY 151.A N GLU 143.A O no hydrogen 2.579 N/A LEU 152.A N LEU 139.A O no hydrogen 2.764 N/A THR 155.A N ASP 44.A OD2 no hydrogen 2.836 N/A THR 155.A OG1 ASP 44.A OD2 no hydrogen 2.625 N/A TYR 156.A N GLY 27.A O no hydrogen 2.952 N/A VAL 158.A N THR 155.A O no hydrogen 3.102 N/A VAL 158.A N THR 155.A OG1 no hydrogen 3.401 N/A LEU 159.A N THR 155.A O no hydrogen 3.264 N/A GLU 160.A N TYR 156.A O no hydrogen 2.606 N/A GLY 161.A N GLU 157.A O no hydrogen 2.962 N/A ILE 162.A N VAL 158.A O no hydrogen 3.024 N/A ALA 163.A N LEU 159.A O no hydrogen 3.023 N/A THR 164.A N GLU 160.A O no hydrogen 2.838 N/A THR 164.A OG1 GLU 160.A O no hydrogen 2.523 N/A HIS 165.A N GLY 161.A O no hydrogen 2.915 N/A THR 171.A OG1 GLU 173.A OE2 no hydrogen 3.419 N/A GLU 173.A N GLU 173.A OE2 no hydrogen 2.608 N/A ALA 174.A N THR 171.A OG1 no hydrogen 3.100 N/A GLN 175.A N THR 171.A O no hydrogen 3.053 N/A GLN 175.A NE2 GLN 169.A O no hydrogen 3.259 N/A GLN 175.A NE2 GLY 170.A O no hydrogen 3.337 N/A GLN 175.A NE2 THR 171.A O no hydrogen 3.509 N/A VAL 176.A N LEU 172.A O no hydrogen 2.829 N/A VAL 177.A N GLU 173.A O no hydrogen 3.032 N/A ASP 178.A N ALA 174.A O no hydrogen 3.235 N/A LEU 179.A N GLN 175.A O no hydrogen 3.188 N/A SER 180.A N VAL 176.A O no hydrogen 2.922 N/A SER 180.A OG VAL 176.A O no hydrogen 2.858 N/A ASP 181.A N VAL 177.A O no hydrogen 2.830 N/A ALA 182.A N ASP 178.A O no hydrogen 3.213 N/A ILE 183.A N LEU 179.A O no hydrogen 3.053 N/A ALA 184.A N SER 180.A O no hydrogen 2.747 N/A TYR 185.A N ASP 181.A O no hydrogen 2.895 N/A ALA 186.A N ALA 182.A O no hydrogen 3.170 N/A ALA 187.A N ILE 183.A O no hydrogen 3.122 N/A HIS 188.A N ALA 184.A O no hydrogen 2.988 N/A ASP 189.A N TYR 185.A O no hydrogen 2.771 N/A LEU 190.A N ALA 186.A O no hydrogen 3.134 N/A ASP 191.A N ALA 187.A O no hydrogen 3.174 N/A ASP 192.A N HIS 188.A O no hydrogen 2.865 N/A GLY 193.A N ASP 189.A O no hydrogen 2.583 N/A PHE 194.A N LEU 190.A O no hydrogen 3.043 N/A ARG 195.A N ASP 191.A O no hydrogen 2.909 N/A ARG 195.A NH2 ASP 191.A OD1 no hydrogen 2.503 N/A ALA 196.A N ASP 192.A O no hydrogen 2.862 N/A GLY 197.A N PHE 194.A O no hydrogen 2.825 N/A LEU 198.A N GLY 193.A O no hydrogen 2.973 N/A LEU 199.A N GLY 193.A O no hydrogen 2.976 N/A HIS 200.A N GLU 203.A OE1 no hydrogen 2.968 N/A GLU 203.A N HIS 200.A O no hydrogen 2.852 N/A LEU 204.A N PRO 201.A O no hydrogen 3.128 N/A LYS 205.A NZ GLU 202.A O no hydrogen 3.213 N/A GLU 206.A N GLU 203.A O no hydrogen 2.916 N/A VAL 207.A N LEU 204.A O no hydrogen 3.377 N/A GLN 211.A N VAL 207.A O no hydrogen 3.142 N/A ALA 212.A N GLU 208.A O no hydrogen 2.953 N/A LEU 213.A N LEU 209.A O no hydrogen 2.957 N/A ALA 214.A N LEU 210.A O no hydrogen 2.780 N/A LEU 215.A N GLN 211.A O no hydrogen 2.785 N/A GLU 216.A N ALA 212.A O no hydrogen 3.084 N/A GLU 217.A N LEU 213.A O no hydrogen 3.355 N/A GLY 218.A N LEU 215.A O no hydrogen 3.388 N/A LEU 219.A N ALA 214.A O no hydrogen 2.932 N/A ASP 220.A N ASP 228.A OD2 no hydrogen 2.693 N/A ARG 223.A N LEU 221.A O no hydrogen 2.338 N/A ARG 229.A N PRO 225.A O no hydrogen 2.844 N/A ARG 229.A NE ASP 191.A OD2 no hydrogen 3.271 N/A ARG 230.A N GLU 226.A O no hydrogen 2.831 N/A VAL 231.A N LEU 227.A O no hydrogen 3.025 N/A LEU 232.A N ASP 228.A O no hydrogen 2.974 N/A VAL 233.A N ARG 229.A O no hydrogen 2.966 N/A ARG 234.A N ARG 230.A O no hydrogen 3.247 N/A GLN 235.A N VAL 231.A O no hydrogen 3.127 N/A LEU 236.A N LEU 232.A O no hydrogen 2.955 N/A LEU 237.A N VAL 233.A O no hydrogen 2.891 N/A GLY 238.A N ARG 234.A O no hydrogen 2.874 N/A TYR 239.A N GLN 235.A O no hydrogen 2.948 N/A PHE 240.A N LEU 236.A O no hydrogen 3.165 N/A ILE 241.A N LEU 237.A O no hydrogen 3.062 N/A THR 242.A N GLY 238.A O no hydrogen 2.890 N/A THR 242.A OG1 GLY 238.A O no hydrogen 3.165 N/A ALA 243.A N TYR 239.A O no hydrogen 2.974 N/A ALA 244.A N PHE 240.A O no hydrogen 2.750 N/A ILE 245.A N ILE 241.A O no hydrogen 3.109 N/A GLU 246.A N THR 242.A O no hydrogen 3.127 N/A ALA 247.A N ALA 243.A O no hydrogen 2.983 N/A THR 248.A N ALA 244.A O no hydrogen 2.860 N/A THR 248.A OG1 ALA 244.A O no hydrogen 2.696 N/A THR 248.A OG1 ALA 272.A O no hydrogen 3.207 N/A HIS 249.A N ILE 245.A O no hydrogen 2.986 N/A ARG 250.A N GLU 246.A O no hydrogen 3.181 N/A ARG 251.A N ALA 247.A O no hydrogen 2.976 N/A VAL 252.A N THR 248.A O no hydrogen 2.896 N/A GLU 253.A N HIS 249.A O no hydrogen 3.051 N/A GLU 254.A N ARG 250.A O no hydrogen 2.859 N/A ALA 255.A N ARG 251.A O no hydrogen 2.851 N/A GLY 256.A N VAL 252.A O no hydrogen 3.140 N/A GLU 261.A N SER 259.A OG no hydrogen 2.923 N/A ALA 262.A N SER 259.A O no hydrogen 2.987 N/A VAL 263.A N SER 259.A O no hydrogen 3.178 N/A ARG 264.A N ALA 260.A O no hydrogen 2.956 N/A ARG 264.A NE GLU 160.A OE1 no hydrogen 3.199 N/A ARG 264.A NE GLU 160.A OE2 no hydrogen 2.666 N/A ARG 264.A NH1 GLN 20.A OE1 no hydrogen 2.902 N/A ARG 264.A NH2 GLN 20.A OE1 no hydrogen 2.868 N/A ARG 264.A NH2 GLU 160.A OE1 no hydrogen 2.939 N/A ARG 265.A N GLU 261.A O no hydrogen 2.998 N/A ARG 265.A NE GLU 261.A OE2 no hydrogen 3.415 N/A HIS 266.A N VAL 263.A O no hydrogen 2.947 N/A LEU 270.A N GLN 175.A OE1 no hydrogen 3.012 N/A ALA 272.A N THR 248.A OG1 no hydrogen 2.947 N/A GLU 278.A N GLY 274.A O no hydrogen 3.026 N/A LYS 279.A N GLU 275.A O no hydrogen 3.255 N/A ALA 280.A N GLU 276.A O no hydrogen 3.010 N/A LEU 281.A N ALA 277.A O no hydrogen 2.888 N/A LYS 282.A N GLU 278.A O no hydrogen 3.027 N/A ALA 283.A N LYS 279.A O no hydrogen 2.919 N/A LEU 284.A N ALA 280.A O no hydrogen 2.698 N/A LYS 285.A N LEU 281.A O no hydrogen 2.700 N/A ALA 286.A N LYS 282.A O no hydrogen 3.075 N/A PHE 287.A N ALA 283.A O no hydrogen 3.043 N/A LEU 288.A N LEU 284.A O no hydrogen 2.978 N/A ARG 290.A N PHE 287.A O no hydrogen 2.860 N/A ARG 290.A NE GLU 203.A OE1 no hydrogen 3.201 N/A PHE 291.A N LEU 288.A O no hydrogen 2.772 N/A TYR 292.A N LEU 288.A O no hydrogen 3.107 N/A TYR 292.A OH ASP 189.A OD2 no hydrogen 2.171 N/A HIS 294.A N PHE 291.A O no hydrogen 2.970 N/A GLU 296.A N HIS 294.A ND1 no hydrogen 2.983 N/A LEU 298.A N HIS 294.A O no hydrogen 2.943 N/A ARG 299.A N PRO 295.A O no hydrogen 3.026 N/A GLU 300.A N VAL 297.A O no hydrogen 3.025 N/A ARG 301.A N VAL 297.A O no hydrogen 2.987 N/A ARG 302.A N LEU 298.A O no hydrogen 2.943 N/A LYS 303.A N ARG 299.A O no hydrogen 3.468 N/A ALA 304.A N GLU 300.A O no hydrogen 2.976 N/A GLU 305.A N ARG 301.A O no hydrogen 3.174 N/A ALA 306.A N ARG 302.A O no hydrogen 3.232 N/A VAL 307.A N LYS 303.A O no hydrogen 3.103 N/A LEU 308.A N ALA 304.A O no hydrogen 3.154 N/A GLU 309.A N GLU 305.A O no hydrogen 2.757 N/A GLY 310.A N ALA 306.A O no hydrogen 2.935 N/A LEU 311.A N VAL 307.A O no hydrogen 2.899 N/A PHE 312.A N LEU 308.A O no hydrogen 2.957 N/A ALA 313.A N GLU 309.A O no hydrogen 3.068 N/A ALA 314.A N GLY 310.A O no hydrogen 3.275 N/A TYR 315.A N LEU 311.A O no hydrogen 2.999 N/A THR 316.A N PHE 312.A O no hydrogen 2.976 N/A ARG 317.A N ALA 313.A O no hydrogen 3.028 N/A TYR 318.A N ALA 314.A O no hydrogen 2.795 N/A GLU 320.A N GLU 320.A OE2 no hydrogen 2.878 N/A LEU 321.A N TYR 318.A O no hydrogen 2.786 N/A LEU 322.A N PRO 319.A O no hydrogen 2.981 N/A VAL 326.A N PRO 323.A O no hydrogen 2.872 N/A GLN 327.A N PRO 323.A O no hydrogen 2.976 N/A ALA 328.A N ARG 324.A O no hydrogen 2.861 N/A LYS 329.A N VAL 326.A O no hydrogen 3.105 N/A ILE 330.A N GLN 327.A O no hydrogen 3.284 N/A GLU 333.A N LYS 329.A O no hydrogen 2.833 N/A GLY 334.A N ILE 330.A O no hydrogen 2.393 N/A GLU 336.A N GLU 336.A OE1 no hydrogen 2.758 N/A ARG 337.A NH1 GLY 128.A O no hydrogen 3.157 N/A ARG 337.A NH2 GLY 128.A O no hydrogen 2.522 N/A ALA 338.A N GLY 334.A O no hydrogen 3.150 N/A VAL 339.A N LEU 335.A O no hydrogen 2.880 N/A CYS 340.A N GLU 336.A O no hydrogen 2.767 N/A ASP 341.A N ARG 337.A O no hydrogen 2.716 N/A TYR 342.A N ALA 338.A O no hydrogen 3.185 N/A ILE 343.A N VAL 339.A O no hydrogen 2.950 N/A ALA 344.A N CYS 340.A O no hydrogen 2.965 N/A GLY 345.A N ASP 341.A O no hydrogen 2.986 N/A GLY 345.A N TYR 342.A O no hydrogen 3.275 N/A ASP 347.A N TYR 59.A O no hydrogen 3.316 N/A PHE 349.A N THR 346.A OG1 no hydrogen 3.219 N/A ALA 350.A N THR 346.A O no hydrogen 2.898 N/A LEU 351.A N ASP 347.A O no hydrogen 3.066 N/A GLU 352.A N ARG 348.A O no hydrogen 3.170 N/A ALA 353.A N PHE 349.A O no hydrogen 2.769 N/A TYR 354.A N ALA 350.A O no hydrogen 2.820 N/A ARG 355.A N LEU 351.A O no hydrogen 2.871 N/A ARG 355.A NH1 GLU 352.A OE2 no hydrogen 3.355 N/A ARG 356.A N GLU 352.A O no hydrogen 2.869 N/A LEU 357.A N ALA 353.A O no hydrogen 3.281 N/A LEU 357.A N TYR 354.A O no hydrogen 3.117 N/A SER 358.A N ARG 355.A O no hydrogen 3.266 N/A