Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a5i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 7.A N ASP 10.A OD1 no hydrogen 3.378 N/A ASP 10.A N THR 7.A O no hydrogen 3.035 N/A VAL 11.A N TRP 8.A O no hydrogen 2.955 N/A GLY 18.A N LEU 75.A O no hydrogen 2.817 N/A MET 19.A N HIS 60.A O no hydrogen 2.809 N/A GLU 20.A N ARG 73.A O no hydrogen 2.967 N/A VAL 21.A N ARG 62.A O no hydrogen 3.161 N/A GLY 22.A N ARG 71.A O no hydrogen 2.758 N/A ARG 24.A N PRO 69.A O no hydrogen 2.848 N/A LEU 25.A N GLY 22.A O no hydrogen 3.203 N/A ILE 26.A N TYR 23.A O no hydrogen 3.254 N/A VAL 29.A N LEU 25.A O no hydrogen 3.494 N/A ASP 30.A N PRO 27.A O no hydrogen 3.069 N/A LEU 37.A N MET 28.A O no hydrogen 3.330 N/A GLY 39.A N GLY 35.A O no hydrogen 3.245 N/A ARG 40.A NE SER 139.A OG no hydrogen 2.724 N/A ILE 41.A N LEU 37.A O no hydrogen 2.874 N/A ARG 42.A N LEU 38.A O no hydrogen 3.019 N/A SER 43.A N GLY 39.A O no hydrogen 2.967 N/A SER 43.A OG GLY 39.A O no hydrogen 3.084 N/A ILE 44.A N ARG 40.A O no hydrogen 2.898 N/A ARG 45.A N ILE 41.A O no hydrogen 2.913 N/A LYS 46.A N ARG 42.A O no hydrogen 3.014 N/A LYS 47.A N SER 43.A O no hydrogen 2.952 N/A PHE 48.A N ILE 44.A O no hydrogen 3.041 N/A ALA 49.A N ARG 45.A O no hydrogen 2.955 N/A GLN 50.A N LYS 46.A O no hydrogen 3.001 N/A GLN 50.A N LYS 47.A O no hydrogen 3.362 N/A ASP 51.A N LYS 47.A O no hydrogen 2.960 N/A MET 52.A N PHE 48.A O no hydrogen 2.907 N/A HIS 60.A N LEU 17.A O no hydrogen 3.022 N/A ARG 62.A N MET 19.A O no hydrogen 3.019 N/A ASN 64.A N VAL 21.A O no hydrogen 3.202 N/A ASP 66.A N ASN 64.A OD1 no hydrogen 3.037 N/A LEU 67.A N ASN 64.A O no hydrogen 2.993 N/A ARG 71.A N GLN 68.A O no hydrogen 2.828 N/A ARG 71.A NE ASP 85.A OD2 no hydrogen 3.195 N/A ARG 71.A NH2 ASP 85.A OD1 no hydrogen 2.589 N/A TYR 72.A N GLY 84.A O no hydrogen 3.114 N/A TYR 72.A OH HIS 145.A ND1 no hydrogen 2.670 N/A ARG 73.A N GLU 20.A O no hydrogen 2.745 N/A ARG 73.A NE GLU 20.A OE1 no hydrogen 3.164 N/A ARG 73.A NH1 GLU 80.A OE1 no hydrogen 2.776 N/A ARG 73.A NH2 GLU 20.A OE1 no hydrogen 2.555 N/A ILE 74.A N GLY 82.A O no hydrogen 2.736 N/A LEU 75.A N GLY 18.A O no hydrogen 2.603 N/A MET 76.A N VAL 79.A O no hydrogen 2.824 N/A LYS 77.A N SER 16.A O no hydrogen 2.892 N/A VAL 79.A N MET 76.A O no hydrogen 2.898 N/A ILE 81.A N ILE 74.A O no hydrogen 2.869 N/A GLY 82.A N ILE 74.A O no hydrogen 3.278 N/A SER 83.A OG GLU 80.A OE2 no hydrogen 3.216 N/A GLY 84.A N TYR 72.A O no hydrogen 3.265 N/A ALA 86.A N ALA 70.A O no hydrogen 3.155 N/A ARG 90.A N TYR 87.A O no hydrogen 2.721 N/A ARG 90.A NH2 GLU 106.A OE2 no hydrogen 2.718 N/A TRP 91.A N ILE 120.A O no hydrogen 3.119 N/A LEU 92.A N VAL 136.A O no hydrogen 2.755 N/A ALA 93.A N ILE 118.A O no hydrogen 2.532 N/A ILE 94.A N THR 134.A O no hydrogen 2.806 N/A ASN 95.A N ASP 116.A O no hydrogen 3.081 N/A ASN 95.A ND2 ALA 99.A O no hydrogen 3.195 N/A ALA 99.A N THR 98.A OG1 no hydrogen 2.421 N/A ALA 100.A N GLN 131.A O no hydrogen 3.338 N/A GLU 106.A N TRP 119.A O no hydrogen 3.002 N/A LYS 107.A NZ PRO 104.A O no hydrogen 3.092 N/A LYS 107.A NZ GLY 105.A O no hydrogen 3.052 N/A THR 108.A N ALA 117.A O no hydrogen 2.923 N/A VAL 109.A N THR 108.A OG1 no hydrogen 2.519 N/A ASP 110.A N LEU 115.A O no hydrogen 2.715 N/A GLY 114.A N ASP 110.A OD2 no hydrogen 2.978 N/A ALA 117.A N THR 108.A O no hydrogen 2.932 N/A ILE 118.A N ALA 93.A O no hydrogen 2.588 N/A TRP 119.A N GLU 106.A O no hydrogen 2.713 N/A ILE 120.A N TRP 91.A O no hydrogen 2.889 N/A LYS 125.A N SER 122.A O no hydrogen 3.364 N/A ALA 128.A N LEU 124.A O no hydrogen 3.106 N/A GLN 129.A N LYS 125.A O no hydrogen 3.294 N/A GLN 129.A N GLU 126.A O no hydrogen 2.920 N/A GLN 129.A NE2 LYS 125.A O no hydrogen 3.062 N/A ILE 130.A N GLU 126.A O no hydrogen 2.976 N/A GLN 131.A N GLN 127.A O no hydrogen 2.725 N/A GLY 132.A N GLN 129.A O no hydrogen 3.072 N/A THR 134.A N ILE 94.A O no hydrogen 2.817 N/A VAL 136.A N LEU 92.A O no hydrogen 3.014 N/A SER 139.A OG GLU 36.A OE2 no hydrogen 2.553 N/A VAL 141.A N GLU 137.A O no hydrogen 3.098 N/A VAL 142.A N ALA 138.A O no hydrogen 3.423 N/A ALA 143.A N SER 139.A O no hydrogen 3.072 N/A THR 144.A N THR 140.A O no hydrogen 2.869 N/A THR 144.A OG1 THR 140.A O no hydrogen 3.234 N/A HIS 145.A N VAL 141.A O no hydrogen 2.823 N/A HIS 145.A ND1 TYR 72.A OH no hydrogen 2.670 N/A LEU 146.A N VAL 142.A O no hydrogen 2.756 N/A ASN 147.A N ALA 143.A O no hydrogen 2.721 N/A HIS 148.A N THR 144.A O no hydrogen 2.903 N/A LEU 149.A N HIS 145.A O no hydrogen 3.037 N/A ILE 150.A N LEU 146.A O no hydrogen 2.876 N/A GLY 151.A N ASN 147.A O no hydrogen 3.153 N/A GLN 152.A N HIS 148.A O no hydrogen 2.985 N/A PHE 153.A N LEU 149.A O no hydrogen 2.887 N/A SER 154.A N GLY 151.A O no hydrogen 3.207 N/A GLU 156.A N GLU 156.A OE2 no hydrogen 2.342 N/A LEU 157.A N PHE 153.A O no hydrogen 2.949 N/A PHE 158.A N ALA 155.A O no hydrogen 3.189 N/A GLY 159.A N GLU 162.A OE2 no hydrogen 3.091 N/A ARG 160.A NH1 THR 189.A OG1 no hydrogen 2.868 N/A ARG 160.A NH2 THR 189.A OG1 no hydrogen 3.276 N/A GLU 162.A N GLU 162.A OE2 no hydrogen 2.555 N/A ALA 163.A N GLY 159.A O no hydrogen 2.832 N/A GLN 164.A N ARG 160.A O no hydrogen 3.029 N/A GLN 165.A N GLN 161.A O no hydrogen 2.953 N/A LEU 166.A N GLU 162.A O no hydrogen 2.858 N/A LEU 167.A N ALA 163.A O no hydrogen 2.929 N/A ASP 168.A N GLN 164.A O no hydrogen 2.890 N/A ARG 169.A N GLN 165.A O no hydrogen 3.034 N/A ARG 169.A NH1 ARG 169.A O no hydrogen 2.994 N/A ARG 169.A NH1 GLU 173.A OE2 no hydrogen 3.353 N/A ARG 169.A NH2 GLU 173.A OE2 no hydrogen 3.284 N/A VAL 170.A N LEU 166.A O no hydrogen 2.881 N/A SER 171.A N LEU 167.A O no hydrogen 3.038 N/A SER 171.A OG LEU 167.A O no hydrogen 3.034 N/A SER 171.A OG THR 178.A OG1 no hydrogen 2.831 N/A GLN 172.A N ASP 168.A O no hydrogen 3.225 N/A GLU 173.A N VAL 170.A O no hydrogen 3.021 N/A MET 174.A N VAL 170.A O no hydrogen 2.816 N/A THR 178.A OG1 SER 171.A OG no hydrogen 2.831 N/A THR 178.A OG1 PRO 175.A O no hydrogen 3.201 N/A GLU 179.A N THR 178.A OG1 no hydrogen 2.464 N/A LEU 181.A N THR 178.A O no hydrogen 2.438 N/A VAL 186.A N LEU 181.A O no hydrogen 2.552 N/A LEU 191.A N THR 187.A O no hydrogen 2.903 N/A HIS 192.A N LEU 188.A O no hydrogen 2.752 N/A HIS 192.A NE2 PHE 158.A O no hydrogen 2.860 N/A LYS 193.A N THR 189.A O no hydrogen 2.896 N/A VAL 194.A N THR 190.A O no hydrogen 3.005 N/A LEU 195.A N LEU 191.A O no hydrogen 2.975 N/A GLN 196.A N HIS 192.A O no hydrogen 2.965 N/A GLN 196.A NE2 PHE 158.A O no hydrogen 2.894 N/A ASN 197.A N LYS 193.A O no hydrogen 2.933 N/A LEU 198.A N VAL 194.A O no hydrogen 3.055 N/A LEU 199.A N LEU 195.A O no hydrogen 3.082 N/A ALA 200.A N GLN 196.A O no hydrogen 2.681 N/A GLU 201.A N ASN 197.A O no hydrogen 3.388 N/A GLU 201.A N LEU 198.A O no hydrogen 3.255 N/A LYS 202.A N LEU 199.A O no hydrogen 2.902 N/A LYS 202.A NZ GLY 151.A O no hydrogen 3.566 N/A VAL 203.A N LEU 198.A O no hydrogen 2.838 N/A ILE 205.A N MET 52.A O no hydrogen 3.204 N/A THR 210.A N ASP 207.A OD1 no hydrogen 3.133 N/A THR 210.A OG1 ASP 207.A OD1 no hydrogen 2.804 N/A THR 210.A OG1 ASP 207.A OD2 no hydrogen 2.733 N/A ILE 211.A N ASP 207.A O no hydrogen 3.198 N/A LEU 212.A N MET 208.A O no hydrogen 2.752 N/A GLU 213.A N ARG 209.A O no hydrogen 3.032 N/A THR 214.A N THR 210.A O no hydrogen 2.918 N/A THR 214.A OG1 THR 210.A O no hydrogen 2.753 N/A LEU 215.A N ILE 211.A O no hydrogen 2.990 N/A ALA 216.A N LEU 212.A O no hydrogen 2.929 N/A GLU 217.A N GLU 213.A O no hydrogen 2.975 N/A GLU 217.A N THR 214.A O no hydrogen 3.258 N/A HIS 218.A N THR 214.A O no hydrogen 3.095 N/A HIS 218.A ND1 THR 214.A O no hydrogen 2.951 N/A ALA 219.A N LEU 215.A O no hydrogen 2.701 N/A LEU 221.A N HIS 218.A O no hydrogen 2.987 N/A GLN 222.A N ALA 219.A O no hydrogen 3.065 N/A ASP 224.A N GLN 222.A OE1 no hydrogen 3.085 N/A HIS 226.A N ASP 224.A OD2 no hydrogen 2.773 N/A LEU 228.A N ASP 224.A O no hydrogen 2.990 N/A THR 229.A N PRO 225.A O no hydrogen 3.015 N/A THR 229.A OG1 ASN 197.A OD1 no hydrogen 3.272 N/A THR 229.A OG1 PRO 225.A O no hydrogen 2.766 N/A ALA 230.A N HIS 226.A O no hydrogen 3.371 N/A VAL 231.A N GLU 227.A O no hydrogen 3.259 N/A VAL 232.A N LEU 228.A O no hydrogen 2.892 N/A ARG 233.A N THR 229.A O no hydrogen 3.068 N/A VAL 234.A N ALA 230.A O no hydrogen 3.397 N/A ALA 235.A N VAL 231.A O no hydrogen 3.016 N/A LEU 236.A N ARG 233.A O no hydrogen 2.568 N/A GLY 237.A N VAL 234.A O no hydrogen 2.716 N/A ILE 240.A N LEU 236.A O no hydrogen 2.957 N/A THR 241.A N GLY 237.A O no hydrogen 2.740 N/A THR 241.A OG1 GLY 237.A O no hydrogen 2.927 N/A THR 241.A OG1 GLU 330.A O no hydrogen 3.335 N/A GLN 242.A N ARG 238.A O no hydrogen 3.076 N/A GLN 243.A N ALA 239.A O no hydrogen 2.850 N/A GLN 243.A N ILE 240.A O no hydrogen 3.201 N/A GLN 243.A NE2 LYS 202.A O no hydrogen 3.203 N/A TRP 244.A N ILE 240.A O no hydrogen 3.424 N/A PHE 245.A N THR 241.A O no hydrogen 2.841 N/A GLY 247.A N GLN 242.A OE1 no hydrogen 2.846 N/A VAL 251.A N HIS 336.A O no hydrogen 2.724 N/A VAL 253.A N ARG 338.A O no hydrogen 3.325 N/A ILE 254.A N VAL 301.A O no hydrogen 2.940 N/A GLY 255.A N ALA 341.A O no hydrogen 2.658 N/A ALA 259.A N ASP 257.A OD2 no hydrogen 2.749 N/A LEU 260.A N ASP 257.A OD2 no hydrogen 3.167 N/A GLU 261.A N ASP 257.A O no hydrogen 2.998 N/A ARG 262.A N ALA 259.A O no hydrogen 3.311 N/A LEU 263.A N ALA 259.A O no hydrogen 3.144 N/A LEU 264.A N LEU 260.A O no hydrogen 2.976 N/A LEU 265.A N GLU 261.A O no hydrogen 2.897 N/A GLN 266.A N ARG 262.A O no hydrogen 2.949 N/A GLN 266.A NE2 ARG 262.A O no hydrogen 3.101 N/A ALA 267.A N LEU 263.A O no hydrogen 3.409 N/A LEU 268.A N LEU 264.A O no hydrogen 2.967 N/A GLN 269.A N GLN 266.A O no hydrogen 3.012 N/A LEU 278.A N PRO 276.A O no hydrogen 2.470 N/A ARG 281.A N GLY 277.A O no hydrogen 3.184 N/A LEU 282.A N LEU 278.A O no hydrogen 3.005 N/A LEU 283.A N ALA 279.A O no hydrogen 3.300 N/A ALA 284.A N ASP 280.A O no hydrogen 3.008 N/A GLN 285.A N ARG 281.A O no hydrogen 2.968 N/A GLN 285.A NE2 GLY 344.A O no hydrogen 3.421 N/A THR 286.A N LEU 282.A O no hydrogen 2.758 N/A THR 286.A OG1 LEU 282.A O no hydrogen 2.810 N/A GLN 287.A N LEU 283.A O no hydrogen 3.376 N/A GLU 288.A N ALA 284.A O no hydrogen 3.407 N/A GLU 288.A N GLN 285.A O no hydrogen 2.519 N/A ALA 289.A N GLN 285.A O no hydrogen 3.064 N/A LEU 290.A N THR 286.A O no hydrogen 3.032 N/A SER 291.A OG GLN 287.A O no hydrogen 3.360 N/A ARG 292.A N GLU 288.A O no hydrogen 3.187 N/A ARG 292.A NH1 THR 342.A O no hydrogen 2.818 N/A ARG 292.A NH2 GLU 288.A OE2 no hydrogen 2.862 N/A GLN 293.A N ALA 289.A O no hydrogen 3.072 N/A GLU 294.A N LEU 290.A O no hydrogen 2.507 N/A MET 295.A N SER 291.A O no hydrogen 2.673 N/A LEU 296.A N ARG 292.A O no hydrogen 2.935 N/A GLY 297.A N GLN 293.A O no hydrogen 2.689 N/A ALA 298.A N GLN 293.A O no hydrogen 3.248 N/A LEU 302.A N VAL 324.A O no hydrogen 2.977 N/A LEU 303.A N ILE 254.A O no hydrogen 2.998 N/A VAL 304.A N LEU 326.A O no hydrogen 3.096 N/A HIS 306.A N ASN 328.A OD1 no hydrogen 3.247 N/A HIS 306.A ND1 SER 327.A OG no hydrogen 2.964 N/A LEU 308.A N ASN 305.A O no hydrogen 2.955 N/A ARG 309.A N ASN 305.A O no hydrogen 3.188 N/A LEU 312.A N LEU 308.A O no hydrogen 3.451 N/A SER 313.A N ARG 309.A O no hydrogen 2.882 N/A SER 313.A OG GLU 201.A OE2 no hydrogen 2.689 N/A ARG 314.A N PRO 310.A O no hydrogen 3.150 N/A ARG 314.A NE PRO 310.A O no hydrogen 3.515 N/A LEU 316.A N LEU 312.A O no hydrogen 3.311 N/A ARG 317.A N SER 313.A O no hydrogen 2.997 N/A ARG 317.A NE LEU 323.A O no hydrogen 2.931 N/A ARG 317.A NH1 ALA 200.A O no hydrogen 3.518 N/A ARG 317.A NH2 PRO 321.A O no hydrogen 3.249 N/A LEU 320.A N LEU 316.A O no hydrogen 2.782 N/A LEU 323.A N LEU 320.A O no hydrogen 3.003 N/A VAL 324.A N PRO 300.A O no hydrogen 3.191 N/A LEU 326.A N LEU 302.A O no hydrogen 3.108 N/A SER 327.A N GLU 330.A OE1 no hydrogen 2.980 N/A SER 327.A OG HIS 306.A ND1 no hydrogen 2.964 N/A ASN 328.A N VAL 304.A O no hydrogen 3.017 N/A LEU 329.A N SER 327.A OG no hydrogen 3.006 N/A GLU 330.A N SER 327.A O no hydrogen 2.825 N/A LEU 331.A N SER 327.A O no hydrogen 3.248 N/A SER 332.A N THR 241.A OG1 no hydrogen 3.168 N/A ARG 335.A NH1 GLY 247.A O no hydrogen 2.440 N/A ARG 335.A NH2 GLY 247.A O no hydrogen 3.308 N/A ARG 338.A N VAL 251.A O no hydrogen 3.054 N/A THR 340.A N ARG 338.A O no hydrogen 2.424 N/A THR 340.A OG1 VAL 253.A O no hydrogen 3.547 N/A THR 340.A OG1 GLN 293.A OE1 no hydrogen 3.482 N/A ALA 341.A N MET 339.A O no hydrogen 2.753 N/A