Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a7u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 33.A O no hydrogen 2.838 N/A GLN 5.A N HIS 198.A O no hydrogen 3.225 N/A SER 6.A OG SER 8.A O no hydrogen 3.371 N/A SER 6.A OG ASN 14.A OD1 no hydrogen 2.667 N/A ILE 7.A N ILE 200.A O no hydrogen 3.018 N/A ASP 10.A N SER 8.A OG no hydrogen 2.798 N/A TYR 12.A OH LEU 66.A O no hydrogen 2.385 N/A HIS 13.A N ASP 10.A O no hydrogen 2.676 N/A ASN 14.A N ASP 10.A O no hydrogen 3.080 N/A ASN 14.A ND2 SER 8.A O no hydrogen 3.630 N/A LEU 15.A N VAL 11.A O no hydrogen 2.639 N/A ALA 16.A N TYR 12.A O no hydrogen 2.960 N/A VAL 17.A N HIS 13.A O no hydrogen 3.043 N/A ASP 19.A N LEU 15.A O no hydrogen 3.385 N/A TRP 20.A N ALA 16.A O no hydrogen 2.988 N/A ILE 21.A N VAL 17.A O no hydrogen 3.000 N/A HIS 22.A N GLU 18.A O no hydrogen 3.214 N/A HIS 22.A NE2 ALA 143.A O no hydrogen 3.197 N/A ASP 23.A N ASP 19.A O no hydrogen 2.605 N/A HIS 24.A N ILE 21.A O no hydrogen 3.156 N/A LYS 30.A N LEU 27.A O no hydrogen 2.870 N/A LYS 30.A NZ GLY 1.A O no hydrogen 3.154 N/A VAL 32.A N PHE 88.A O no hydrogen 2.939 N/A LEU 33.A N LEU 2.A O no hydrogen 2.950 N/A PHE 34.A N THR 86.A O no hydrogen 3.102 N/A LEU 35.A N LEU 4.A O no hydrogen 2.868 N/A TRP 36.A N ASN 84.A O no hydrogen 3.031 N/A ARG 37.A NH1 MET 80.A O no hydrogen 2.207 N/A SER 39.A N ASN 9.A O no hydrogen 2.838 N/A SER 39.A OG ASN 9.A O no hydrogen 3.411 N/A THR 41.A N HIS 78.A O no hydrogen 3.137 N/A THR 41.A OG1 SER 39.A O no hydrogen 3.268 N/A VAL 42.A N LYS 65.A O no hydrogen 2.659 N/A VAL 43.A N VAL 76.A O no hydrogen 3.224 N/A ILE 44.A N ALA 67.A O no hydrogen 2.890 N/A ARG 46.A N SER 71.A O no hydrogen 3.033 N/A GLN 52.A N ASN 49.A O no hydrogen 2.860 N/A GLN 52.A N ASN 49.A OD1 no hydrogen 2.791 N/A GLU 53.A N ASN 49.A O no hydrogen 3.268 N/A GLU 53.A N PRO 50.A O no hydrogen 3.160 N/A CYS 54.A N PRO 50.A O no hydrogen 3.360 N/A CYS 54.A SG PRO 50.A O no hydrogen 3.575 N/A ASN 55.A ND2 LYS 164.A O no hydrogen 2.932 N/A LEU 58.A N ASN 57.A OD1 no hydrogen 2.717 N/A MET 59.A N ASN 55.A O no hydrogen 2.888 N/A ARG 60.A N LEU 56.A O no hydrogen 2.546 N/A GLU 61.A N ASN 57.A O no hydrogen 3.164 N/A GLU 62.A N MET 59.A O no hydrogen 2.875 N/A VAL 64.A N MET 59.A O no hydrogen 3.368 N/A LYS 65.A N PRO 40.A O no hydrogen 3.440 N/A LYS 65.A NZ ASP 10.A OD1 no hydrogen 3.518 N/A ALA 67.A N VAL 42.A O no hydrogen 2.760 N/A ARG 68.A NE ILE 224.A O no hydrogen 2.919 N/A ARG 68.A NH1 ARG 46.A O no hydrogen 2.196 N/A ARG 68.A NH2 GLN 48.A O no hydrogen 3.232 N/A ARG 68.A NH2 ILE 224.A O no hydrogen 3.233 N/A ARG 69.A N ILE 44.A O no hydrogen 3.256 N/A ARG 69.A NE SER 71.A OG no hydrogen 2.805 N/A ARG 69.A NE GLY 72.A O no hydrogen 3.251 N/A ARG 69.A NH1 GLY 74.A O no hydrogen 3.125 N/A ARG 69.A NH2 GLY 72.A O no hydrogen 2.783 N/A ARG 69.A NH2 GLY 74.A O no hydrogen 2.949 N/A SER 71.A OG GLY 72.A O no hydrogen 3.172 N/A GLY 72.A N SER 137.A O no hydrogen 3.244 N/A THR 75.A OG1 GLN 48.A OE1 no hydrogen 2.546 N/A VAL 76.A N VAL 43.A O no hydrogen 3.281 N/A HIS 78.A N THR 41.A O no hydrogen 2.876 N/A GLY 81.A N ASP 79.A OD1 no hydrogen 2.365 N/A ASN 82.A N ASP 79.A O no hydrogen 2.903 N/A ILE 83.A N LEU 150.A O no hydrogen 2.651 N/A LEU 85.A N CYS 148.A O no hydrogen 2.787 N/A THR 86.A N PHE 34.A O no hydrogen 2.897 N/A THR 86.A OG1 GLU 18.A OE2 no hydrogen 2.640 N/A THR 86.A OG1 HIS 147.A ND1 no hydrogen 3.291 N/A PHE 87.A N HIS 146.A O no hydrogen 3.045 N/A PHE 88.A N VAL 32.A O no hydrogen 2.816 N/A THR 89.A N ALA 144.A O no hydrogen 3.128 N/A THR 89.A OG1 THR 90.A O no hydrogen 3.195 N/A THR 89.A OG1 LYS 93.A O no hydrogen 2.753 N/A THR 89.A OG1 ALA 144.A O no hydrogen 3.379 N/A LYS 91.A N ASN 142.A O no hydrogen 2.610 N/A LYS 91.A NZ ARG 141.A O no hydrogen 3.450 N/A LYS 93.A N THR 90.A OG1 no hydrogen 2.929 N/A TYR 94.A OH SER 137.A OG no hydrogen 3.061 N/A GLU 98.A N ASP 95.A OD1 no hydrogen 3.054 N/A ASN 99.A N ASP 95.A O no hydrogen 3.169 N/A ASN 99.A ND2 HIS 146.A ND1 no hydrogen 2.627 N/A LEU 100.A N ARG 96.A O no hydrogen 3.024 N/A LYS 101.A N MET 97.A O no hydrogen 2.847 N/A LEU 102.A N GLU 98.A O no hydrogen 2.959 N/A VAL 103.A N ASN 99.A O no hydrogen 3.012 N/A VAL 104.A N LEU 100.A O no hydrogen 3.084 N/A ARG 105.A N LYS 101.A O no hydrogen 3.051 N/A ARG 105.A NH2 GLU 186.A OE2 no hydrogen 3.282 N/A ALA 106.A N LEU 102.A O no hydrogen 3.041 N/A LEU 107.A N VAL 103.A O no hydrogen 2.734 N/A LYS 108.A N VAL 104.A O no hydrogen 2.795 N/A ALA 109.A N ARG 105.A O no hydrogen 2.816 N/A VAL 110.A N LEU 107.A O no hydrogen 2.972 N/A HIS 111.A N LEU 107.A O no hydrogen 3.083 N/A HIS 111.A ND1 ASP 171.A OD2 no hydrogen 2.879 N/A VAL 116.A N LEU 114.A O no hydrogen 2.789 N/A THR 119.A OG1 ASP 123.A O no hydrogen 2.800 N/A THR 119.A OG1 ASP 123.A OD2 no hydrogen 2.636 N/A ASP 123.A N THR 119.A OG1 no hydrogen 3.038 N/A LEU 126.A N PHE 130.A O no hydrogen 2.748 N/A ASP 127.A N ASP 115.A O no hydrogen 2.775 N/A GLN 129.A N LEU 126.A O no hydrogen 3.269 N/A ILE 132.A N LEU 124.A O no hydrogen 3.119 N/A SER 133.A OG THR 149.A O no hydrogen 3.297 N/A GLY 134.A N THR 149.A O no hydrogen 3.209 N/A ALA 136.A N HIS 147.A O no hydrogen 3.248 N/A SER 137.A OG TYR 94.A OH no hydrogen 3.061 N/A GLY 140.A N ALA 143.A O no hydrogen 2.851 N/A ALA 144.A N THR 89.A O no hydrogen 2.863 N/A TYR 145.A N LYS 138.A O no hydrogen 3.018 N/A HIS 146.A N PHE 87.A O no hydrogen 3.052 N/A HIS 147.A ND1 THR 86.A OG1 no hydrogen 3.291 N/A CYS 148.A SG GLY 134.A O no hydrogen 3.601 N/A CYS 148.A SG THR 149.A O no hydrogen 3.834 N/A THR 149.A N GLY 134.A O no hydrogen 3.056 N/A LEU 150.A N ILE 83.A O no hydrogen 2.685 N/A LEU 151.A N ILE 132.A O no hydrogen 2.943 N/A CYS 152.A N GLY 81.A O no hydrogen 2.936 N/A CYS 152.A SG LEU 174.A O no hydrogen 4.030 N/A GLY 153.A N GLY 81.A O no hydrogen 2.788 N/A THR 154.A OG1 ASP 79.A OD1 no hydrogen 2.935 N/A THR 157.A OG1 ASP 155.A OD1 no hydrogen 2.398 N/A THR 157.A OG1 ASP 155.A OD2 no hydrogen 3.364 N/A PHE 158.A N ASP 155.A OD1 no hydrogen 2.392 N/A LEU 159.A N ASP 155.A O no hydrogen 2.834 N/A SER 160.A N GLY 156.A O no hydrogen 2.449 N/A SER 161.A N THR 157.A O no hydrogen 3.392 N/A SER 161.A OG LEU 159.A O no hydrogen 3.476 N/A LEU 162.A N LEU 159.A O no hydrogen 2.572 N/A LYS 164.A NZ LEU 163.A O no hydrogen 2.967 N/A LYS 165.A NZ ASN 166.A O no hydrogen 3.223 N/A LYS 165.A NZ GLU 169.A O no hydrogen 2.377 N/A ASN 166.A N GLU 169.A OE1 no hydrogen 3.211 N/A MET 168.A N CYS 152.A O no hydrogen 2.923 N/A LYS 170.A NZ ASP 127.A OD1 no hydrogen 3.155 N/A LYS 170.A NZ ASP 127.A OD2 no hydrogen 2.793 N/A ASP 171.A N LEU 167.A O no hydrogen 3.183 N/A ASP 171.A N MET 168.A O no hydrogen 2.778 N/A THR 173.A OG1 ASP 171.A OD1 no hydrogen 3.205 N/A LEU 174.A N ASP 171.A O no hydrogen 2.668 N/A CYS 176.A SG MET 80.A O no hydrogen 3.930 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.374 N/A VAL 179.A N THR 175.A O no hydrogen 3.086 N/A ILE 180.A N CYS 176.A O no hydrogen 2.545 N/A ASN 181.A N GLU 177.A O no hydrogen 3.031 N/A ALA 182.A N VAL 178.A O no hydrogen 2.911 N/A VAL 183.A N VAL 179.A O no hydrogen 2.933 N/A ALA 184.A N ILE 180.A O no hydrogen 2.964 N/A THR 185.A N ASN 181.A O no hydrogen 2.590 N/A THR 185.A OG1 ASN 181.A O no hydrogen 3.181 N/A GLU 186.A N ALA 182.A O no hydrogen 2.984 N/A TYR 187.A N VAL 183.A O no hydrogen 2.801 N/A ALA 188.A N ALA 184.A O no hydrogen 2.661 N/A THR 189.A N THR 185.A O no hydrogen 3.038 N/A THR 189.A OG1 THR 185.A O no hydrogen 3.430 N/A SER 190.A N GLU 186.A O no hydrogen 2.996 N/A SER 190.A OG GLU 186.A O no hydrogen 2.731 N/A SER 190.A OG GLU 186.A OE2 no hydrogen 2.927 N/A HIS 191.A N ALA 188.A O no hydrogen 2.982 N/A HIS 191.A ND1 TYR 187.A O no hydrogen 3.051 N/A GLN 192.A N ALA 188.A O no hydrogen 2.560 N/A GLN 192.A NE2 HIS 191.A O no hydrogen 3.483 N/A ASN 195.A ND2 THR 185.A OG1 no hydrogen 3.178 N/A HIS 196.A N ASP 194.A O no hydrogen 1.973 N/A HIS 198.A N ILE 3.A O no hydrogen 2.704 N/A THR 206.A N ASP 204.A OD1 no hydrogen 3.220 N/A THR 206.A OG1 ASP 204.A OD1 no hydrogen 2.487 N/A PHE 208.A N ASP 204.A O no hydrogen 3.225 N/A SER 213.A OG GLY 210.A O no hydrogen 2.934 N/A SER 213.A OG ILE 211.A O no hydrogen 3.431 N/A LYS 214.A N SER 213.A OG no hydrogen 2.621 N/A ALA 215.A N ILE 211.A O no hydrogen 3.184 N/A ILE 216.A N ASN 212.A O no hydrogen 2.900 N/A GLU 217.A N SER 213.A O no hydrogen 2.940 N/A LEU 218.A N LYS 214.A O no hydrogen 2.848 N/A GLN 219.A N ILE 216.A O no hydrogen 2.887 N/A THR 220.A N GLU 217.A O no hydrogen 2.586 N/A THR 220.A OG1 GLU 217.A O no hydrogen 2.833 N/A TRP 223.A N THR 220.A O no hydrogen 2.714 N/A TRP 223.A N THR 220.A OG1 no hydrogen 3.186 N/A TRP 223.A NE1 ARG 68.A O no hydrogen 2.948 N/A ILE 224.A N THR 220.A O no hydrogen 2.878 N/A TYR 225.A N TRP 221.A O no hydrogen 2.869 N/A GLY 226.A N TRP 221.A O no hydrogen 2.840 N/A THR 228.A N TYR 225.A O no hydrogen 3.058 N/A THR 228.A OG1 TYR 225.A O no hydrogen 2.704 N/A PHE 231.A N VAL 254.A O no hydrogen 3.169 N/A VAL 233.A N ILE 252.A O no hydrogen 2.767 N/A THR 235.A N VAL 250.A O no hydrogen 3.027 N/A SER 236.A OG GLU 247.A OE2 no hydrogen 2.852 N/A SER 236.A OG ILE 248.A O no hydrogen 3.291 N/A PHE 237.A N ILE 248.A O no hydrogen 3.420 N/A VAL 239.A N VAL 246.A O no hydrogen 2.879 N/A HIS 241.A N SER 244.A O no hydrogen 3.050 N/A VAL 246.A N VAL 239.A O no hydrogen 2.931 N/A ILE 248.A N PHE 237.A O no hydrogen 3.102 N/A LYS 249.A N GLU 265.A O no hydrogen 2.870 N/A VAL 250.A N THR 235.A O no hydrogen 3.517 N/A PHE 251.A N ASN 263.A O no hydrogen 3.174 N/A ILE 252.A N VAL 233.A O no hydrogen 3.110 N/A ASP 253.A N VAL 261.A O no hydrogen 2.789 N/A VAL 254.A N PHE 231.A O no hydrogen 2.979 N/A LYS 255.A N ARG 258.A O no hydrogen 2.876 N/A ARG 258.A N LYS 255.A O no hydrogen 3.368 N/A ILE 259.A N SER 286.A O no hydrogen 2.852 N/A GLU 260.A N ASP 253.A O no hydrogen 2.487 N/A VAL 261.A N ASP 253.A O no hydrogen 3.310 N/A CYS 262.A SG ASN 280.A OD1 no hydrogen 3.276 N/A ASN 263.A N PHE 251.A O no hydrogen 2.965 N/A ILE 264.A N ASN 280.A OD1 no hydrogen 2.294 N/A GLU 265.A N LYS 249.A O no hydrogen 2.741 N/A TRP 270.A N PRO 267.A O no hydrogen 2.826 N/A LEU 271.A N PRO 267.A O no hydrogen 3.065 N/A GLU 274.A N GLU 274.A OE1 no hydrogen 2.572 N/A ILE 275.A N PRO 272.A O no hydrogen 3.135 N/A ASP 277.A N LEU 273.A O no hydrogen 2.991 N/A GLN 278.A N GLU 274.A O no hydrogen 3.413 N/A LEU 279.A N ILE 275.A O no hydrogen 2.895 N/A ASN 280.A N CYS 276.A O no hydrogen 3.097 N/A ASN 280.A ND2 ILE 264.A O no hydrogen 2.941 N/A ASN 280.A ND2 CYS 276.A O no hydrogen 2.155 N/A SER 281.A N ASP 277.A O no hydrogen 2.671 N/A SER 282.A N GLN 278.A O no hydrogen 2.885 N/A SER 282.A OG GLN 278.A O no hydrogen 2.926 N/A SER 282.A OG LEU 279.A O no hydrogen 3.108 N/A ILE 284.A N ASN 280.A O no hydrogen 3.021 N/A ILE 284.A N SER 281.A O no hydrogen 3.230 N/A GLY 285.A N ILE 259.A O no hydrogen 2.741 N/A SER 286.A N LEU 283.A O no hydrogen 3.073 N/A SER 286.A OG SER 282.A O no hydrogen 3.026 N/A PHE 288.A N GLY 257.A O no hydrogen 2.705 N/A SER 289.A OG PRO 290.A O no hydrogen 3.285 N/A LEU 296.A N GLU 292.A O no hydrogen 2.569 N/A THR 297.A N THR 293.A O no hydrogen 3.379 N/A THR 297.A OG1 THR 293.A O no hydrogen 3.361 N/A SER 298.A N THR 294.A O no hydrogen 2.704 N/A ILE 299.A N VAL 295.A O no hydrogen 2.837 N/A LEU 300.A N THR 297.A O no hydrogen 3.314 N/A HIS 301.A N THR 297.A O no hydrogen 2.826 N/A HIS 301.A ND1 HIS 301.A O no hydrogen 2.732 N/A THR 303.A OG1 ILE 299.A O no hydrogen 2.382 N/A TYR 304.A N LEU 300.A O no hydrogen 2.708 N/A HIS 311.A N ASP 307.A O no hydrogen 2.823 N/A SER 312.A N ASP 308.A O no hydrogen 2.795 N/A LYS 313.A N GLU 309.A O no hydrogen 3.066 N/A TRP 314.A N LEU 310.A O no hydrogen 2.830 N/A ASN 315.A N HIS 311.A O no hydrogen 3.017 N/A ILE 316.A N SER 312.A O no hydrogen 3.422 N/A LEU 317.A N TRP 314.A O no hydrogen 3.034 N/A CYS 318.A N TRP 314.A O no hydrogen 3.047 N/A CYS 318.A SG TRP 314.A O no hydrogen 3.223 N/A GLU 319.A N ASN 315.A O no hydrogen 2.544 N/A LYS 320.A N ILE 316.A O no hydrogen 3.358 N/A ILE 321.A N LEU 317.A O no hydrogen 2.837 N/A LYS 322.A N CYS 318.A O no hydrogen 2.659 N/A LYS 322.A NZ ILE 291.A O no hydrogen 3.521 N/A GLY 323.A N GLU 319.A O no hydrogen 3.023 N/A ILE 324.A N ILE 321.A O no hydrogen 2.958 N/A MET 325.A N LYS 322.A O no hydrogen 3.201 N/A