Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q8m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 178.A OD1 no hydrogen 2.887 N/A GLY 1.A N ASP 178.A OD2 no hydrogen 3.386 N/A GLY 1.A N ASP 232.A OD2 no hydrogen 3.069 N/A GLN 3.A N GLY 230.A O no hydrogen 2.988 N/A LEU 5.A N ILE 2.A O no hydrogen 2.978 N/A LEU 8.A N GLY 4.A O no hydrogen 2.950 N/A ILE 9.A N LEU 5.A O no hydrogen 2.904 N/A ALA 10.A N ALA 6.A O no hydrogen 2.941 N/A ASP 11.A N LYS 7.A O no hydrogen 2.888 N/A VAL 12.A N LEU 8.A O no hydrogen 2.857 N/A ALA 13.A N ILE 9.A O no hydrogen 2.867 N/A ALA 16.A N ALA 13.A O no hydrogen 2.959 N/A ILE 17.A N PRO 14.A O no hydrogen 3.333 N/A ARG 18.A N GLU 205.A O no hydrogen 2.898 N/A ASN 20.A N ILE 203.A O no hydrogen 3.366 N/A ASN 20.A ND2 TYR 25.A OH no hydrogen 3.090 N/A ASP 21.A N ASP 21.A OD1 no hydrogen 2.604 N/A SER 24.A N ASP 21.A O no hydrogen 2.987 N/A SER 24.A OG ASP 21.A O no hydrogen 2.725 N/A SER 24.A OG ASP 21.A OD1 no hydrogen 3.564 N/A TYR 25.A N ILE 22.A O no hydrogen 2.907 N/A TYR 25.A OH GLU 205.A OE2 no hydrogen 2.667 N/A GLY 27.A N GLY 77.A O no hydrogen 2.793 N/A ARG 28.A N TYR 25.A O no hydrogen 3.000 N/A VAL 30.A N LYS 79.A O no hydrogen 2.970 N/A ALA 31.A N ALA 173.A O no hydrogen 3.063 N/A ILE 32.A N VAL 81.A O no hydrogen 2.907 N/A ALA 34.A N VAL 83.A O no hydrogen 2.993 N/A SER 37.A N ASP 33.A O no hydrogen 3.256 N/A SER 37.A OG ALA 34.A O no hydrogen 3.117 N/A ILE 38.A N ALA 34.A O no hydrogen 2.882 N/A TYR 39.A N SER 35.A O no hydrogen 2.973 N/A GLN 40.A N MET 36.A O no hydrogen 2.933 N/A PHE 41.A N SER 37.A O no hydrogen 2.965 N/A LEU 42.A N ILE 38.A O no hydrogen 2.942 N/A ILE 43.A N TYR 39.A O no hydrogen 2.959 N/A ALA 44.A N GLN 40.A O no hydrogen 2.911 N/A VAL 45.A N PHE 41.A O no hydrogen 2.848 N/A ARG 46.A N ALA 44.A O no hydrogen 2.676 N/A ARG 46.A NH1 GLY 49.A O no hydrogen 2.691 N/A GLN 47.A N ASP 50.A O no hydrogen 2.694 N/A LEU 52.A N SER 61.A OG no hydrogen 3.110 N/A GLN 53.A NE2 VAL 51.A O no hydrogen 3.202 N/A ASN 54.A N GLU 58.A O no hydrogen 3.221 N/A ASN 54.A ND2 GLU 58.A OE1 no hydrogen 3.103 N/A ASN 54.A ND2 GLU 312.A O no hydrogen 2.750 N/A GLU 55.A N GLN 314.A OE1 no hydrogen 2.502 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 3.037 N/A GLY 57.A N ASN 54.A O no hydrogen 2.968 N/A GLU 58.A N ASN 54.A OD1 no hydrogen 3.093 N/A THR 60.A N LEU 52.A O no hydrogen 2.969 N/A SER 61.A OG VAL 45.A O no hydrogen 2.622 N/A HIS 62.A NE2 GLU 139.A OE1 no hydrogen 2.716 N/A MET 64.A N THR 60.A O no hydrogen 2.949 N/A GLY 65.A N SER 61.A O no hydrogen 2.938 N/A MET 66.A N HIS 62.A O no hydrogen 2.939 N/A PHE 67.A N LEU 63.A O no hydrogen 2.947 N/A TYR 68.A N MET 64.A O no hydrogen 3.026 N/A ARG 69.A N GLY 65.A O no hydrogen 2.959 N/A THR 70.A N MET 66.A O no hydrogen 2.930 N/A THR 70.A OG1 MET 66.A O no hydrogen 2.508 N/A THR 70.A OG1 TYR 82.A OH no hydrogen 2.982 N/A ILE 71.A N PHE 67.A O no hydrogen 3.035 N/A ARG 72.A N TYR 68.A O no hydrogen 2.916 N/A MET 73.A N ARG 69.A O no hydrogen 2.934 N/A MET 74.A N THR 70.A O no hydrogen 2.944 N/A GLU 75.A N ILE 71.A O no hydrogen 2.915 N/A ASN 76.A N ARG 72.A O no hydrogen 3.088 N/A ASN 76.A ND2 ARG 72.A O no hydrogen 2.742 N/A GLY 77.A N MET 74.A O no hydrogen 2.962 N/A ILE 78.A N MET 73.A O no hydrogen 3.047 N/A LYS 79.A N ARG 28.A O no hydrogen 3.011 N/A VAL 81.A N VAL 30.A O no hydrogen 2.880 N/A TYR 82.A N PRO 150.A O no hydrogen 3.190 N/A TYR 82.A OH THR 70.A OG1 no hydrogen 2.982 N/A VAL 83.A N ILE 32.A O no hydrogen 2.882 N/A PHE 84.A N LEU 152.A O no hydrogen 2.878 N/A GLY 86.A N SER 156.A O no hydrogen 2.542 N/A LYS 87.A N PRO 155.A O no hydrogen 3.111 N/A LYS 92.A N PRO 89.A O no hydrogen 2.919 N/A LYS 92.A NZ GLU 157.A OE1 no hydrogen 3.087 N/A SER 93.A N GLN 90.A O no hydrogen 2.885 N/A SER 93.A OG GLN 90.A O no hydrogen 2.794 N/A LEU 96.A N LYS 92.A O no hydrogen 2.834 N/A ALA 97.A N SER 93.A O no hydrogen 2.689 N/A LYS 98.A N GLY 94.A O no hydrogen 3.109 N/A LYS 98.A NZ GLU 95.A OE1 no hydrogen 3.413 N/A ARG 99.A N GLU 95.A O no hydrogen 3.139 N/A ARG 99.A NE GLU 95.A OE2 no hydrogen 2.921 N/A ARG 99.A NH2 GLU 95.A OE2 no hydrogen 3.437 N/A SER 100.A N LEU 96.A O no hydrogen 3.108 N/A SER 100.A OG LEU 96.A O no hydrogen 3.542 N/A GLU 101.A N ALA 97.A O no hydrogen 3.006 N/A ARG 102.A N LYS 98.A O no hydrogen 3.046 N/A ARG 103.A N ARG 99.A O no hydrogen 3.258 N/A ALA 104.A N SER 100.A O no hydrogen 2.839 N/A GLU 105.A N GLU 101.A O no hydrogen 2.755 N/A ALA 106.A N ARG 102.A O no hydrogen 2.763 N/A GLU 107.A N ARG 103.A O no hydrogen 2.793 N/A LYS 108.A N ALA 104.A O no hydrogen 3.145 N/A LYS 108.A NZ GLU 105.A OE1 no hydrogen 3.320 N/A GLN 109.A N GLU 105.A O no hydrogen 3.072 N/A LEU 110.A N GLU 107.A O no hydrogen 2.938 N/A GLN 111.A N GLU 107.A O no hydrogen 3.279 N/A GLN 112.A N LYS 108.A O no hydrogen 3.233 N/A ALA 113.A N LEU 110.A O no hydrogen 2.930 N/A GLN 114.A N LEU 110.A O no hydrogen 2.808 N/A ALA 115.A N GLN 111.A O no hydrogen 2.833 N/A ALA 116.A N ALA 113.A O no hydrogen 2.914 N/A GLU 121.A N ALA 118.A O no hydrogen 3.260 N/A GLU 123.A N GLU 119.A O no hydrogen 2.907 N/A LYS 124.A N GLN 120.A O no hydrogen 2.977 N/A LYS 124.A NZ GLU 121.A OE1 no hydrogen 3.319 N/A PHE 125.A N GLU 121.A O no hydrogen 2.878 N/A THR 126.A N VAL 122.A O no hydrogen 2.935 N/A THR 126.A OG1 VAL 122.A O no hydrogen 2.673 N/A LYS 127.A N GLU 123.A O no hydrogen 2.942 N/A ARG 128.A N LYS 124.A O no hydrogen 2.960 N/A LEU 129.A N THR 126.A O no hydrogen 3.095 N/A VAL 130.A N LYS 127.A O no hydrogen 3.002 N/A THR 133.A N HIS 136.A ND1 no hydrogen 2.912 N/A THR 133.A OG1 HIS 136.A ND1 no hydrogen 2.925 N/A GLN 135.A N THR 133.A OG1 no hydrogen 3.137 N/A GLN 135.A NE2 GLU 139.A OE2 no hydrogen 2.885 N/A HIS 136.A N THR 133.A OG1 no hydrogen 3.327 N/A HIS 136.A ND1 THR 133.A OG1 no hydrogen 2.925 N/A ASN 137.A N THR 133.A O no hydrogen 3.078 N/A ASN 137.A ND2 THR 133.A O no hydrogen 3.631 N/A ASP 138.A N LYS 134.A O no hydrogen 2.922 N/A GLU 139.A N GLN 135.A O no hydrogen 2.892 N/A CYS 140.A N HIS 136.A O no hydrogen 2.949 N/A CYS 140.A SG HIS 136.A O no hydrogen 3.717 N/A LYS 141.A N ASN 137.A O no hydrogen 2.940 N/A LYS 141.A NZ ASP 153.A OD1 no hydrogen 3.441 N/A LYS 141.A NZ ASP 153.A OD2 no hydrogen 2.713 N/A HIS 142.A N ASP 138.A O no hydrogen 2.981 N/A LEU 143.A N GLU 139.A O no hydrogen 2.915 N/A LEU 144.A N CYS 140.A O no hydrogen 2.934 N/A SER 145.A N LYS 141.A O no hydrogen 2.937 N/A LEU 146.A N HIS 142.A O no hydrogen 2.940 N/A MET 147.A N LEU 144.A O no hydrogen 3.140 N/A GLY 148.A N SER 145.A O no hydrogen 3.155 N/A ILE 149.A N LEU 144.A O no hydrogen 2.997 N/A LEU 152.A N TYR 82.A O no hydrogen 2.783 N/A ALA 154.A N PHE 84.A O no hydrogen 2.899 N/A SER 156.A OG LYS 87.A O no hydrogen 2.561 N/A ALA 158.A N ASP 85.A OD1 no hydrogen 2.761 N/A SER 161.A N GLU 157.A O no hydrogen 3.198 N/A CYS 162.A N ALA 158.A O no hydrogen 2.856 N/A CYS 162.A SG ALA 158.A O no hydrogen 3.422 N/A ALA 163.A N GLU 159.A O no hydrogen 2.982 N/A ALA 164.A N ALA 160.A O no hydrogen 2.927 N/A LEU 165.A N SER 161.A O no hydrogen 2.934 N/A VAL 166.A N CYS 162.A O no hydrogen 2.972 N/A LYS 167.A N ALA 163.A O no hydrogen 2.952 N/A LYS 167.A NZ PHE 184.A O no hydrogen 3.306 N/A ALA 168.A N ALA 164.A O no hydrogen 3.074 N/A GLY 169.A N VAL 166.A O no hydrogen 3.083 N/A LYS 170.A N LEU 165.A O no hydrogen 3.082 N/A LYS 170.A NZ GLU 291.A OE1 no hydrogen 2.685 N/A LYS 170.A NZ GLU 291.A OE2 no hydrogen 3.088 N/A TYR 172.A N LYS 29.A O no hydrogen 2.869 N/A TYR 172.A OH GLU 205.A OE1 no hydrogen 2.572 N/A ALA 174.A N VAL 188.A O no hydrogen 3.200 N/A ALA 175.A N ALA 31.A O no hydrogen 2.821 N/A THR 176.A N MET 190.A O no hydrogen 3.091 N/A THR 176.A OG1 GLU 159.A OE2 no hydrogen 2.973 N/A ASP 178.A N THR 176.A OG1 no hydrogen 2.946 N/A ALA 180.A N ASP 178.A OD1 no hydrogen 2.940 N/A CYS 181.A N ASP 178.A O no hydrogen 3.089 N/A CYS 181.A SG GLU 159.A O no hydrogen 3.633 N/A CYS 181.A SG GLU 159.A OE1 no hydrogen 3.360 N/A LEU 182.A N MET 179.A O no hydrogen 2.904 N/A PHE 184.A N ALA 180.A O no hydrogen 2.946 N/A GLY 185.A N LEU 182.A O no hydrogen 2.623 N/A SER 186.A N CYS 181.A O no hydrogen 3.034 N/A SER 186.A OG VAL 188.A O no hydrogen 3.106 N/A LEU 189.A N PHE 206.A O no hydrogen 2.957 N/A MET 190.A N ALA 174.A O no hydrogen 2.715 N/A ARG 191.A N GLN 204.A O no hydrogen 2.843 N/A HIS 192.A N GLU 177.A OE2 no hydrogen 2.860 N/A THR 194.A OG1 SER 196.A OG no hydrogen 2.830 N/A SER 196.A OG THR 194.A OG1 no hydrogen 2.830 N/A LYS 199.A N SER 196.A O no hydrogen 3.462 N/A GLN 204.A N ARG 191.A O no hydrogen 2.951 N/A GLU 205.A N ARG 18.A O no hydrogen 2.868 N/A PHE 206.A N LEU 189.A O no hydrogen 2.812 N/A HIS 207.A N ALA 16.A O no hydrogen 3.137 N/A LEU 208.A N PRO 187.A O no hydrogen 2.880 N/A ILE 211.A N HIS 207.A O no hydrogen 3.149 N/A LEU 212.A N LEU 208.A O no hydrogen 2.921 N/A GLN 213.A N SER 209.A O no hydrogen 2.953 N/A GLU 214.A N ARG 210.A O no hydrogen 2.851 N/A LEU 215.A N ILE 211.A O no hydrogen 2.927 N/A GLY 216.A N GLN 213.A O no hydrogen 3.013 N/A LEU 217.A N LEU 212.A O no hydrogen 3.105 N/A ASN 218.A N GLN 221.A OE1 no hydrogen 3.472 N/A GLN 219.A NE2 LEU 182.A O no hydrogen 3.476 N/A GLN 221.A N ASN 218.A OD1 no hydrogen 3.004 N/A PHE 222.A N ASN 218.A O no hydrogen 3.042 N/A VAL 223.A N GLN 219.A O no hydrogen 2.892 N/A ASP 224.A N GLU 220.A O no hydrogen 3.053 N/A LEU 225.A N GLN 221.A O no hydrogen 2.932 N/A CYS 226.A N PHE 222.A O no hydrogen 2.938 N/A CYS 226.A SG THR 183.A OG1 no hydrogen 3.246 N/A CYS 226.A SG PHE 222.A O no hydrogen 3.256 N/A ILE 227.A N VAL 223.A O no hydrogen 2.934 N/A LEU 228.A N ASP 224.A O no hydrogen 2.939 N/A LEU 229.A N LEU 225.A O no hydrogen 2.897 N/A GLY 230.A N CYS 226.A O no hydrogen 2.954 N/A TYR 233.A N SER 231.A OG no hydrogen 2.998 N/A TYR 233.A OH GLU 157.A OE1 no hydrogen 2.501 N/A CYS 234.A SG GLU 235.A O no hydrogen 3.524 N/A ILE 240.A N ILE 237.A O no hydrogen 3.067 N/A ARG 244.A NH1 GLY 239.A O no hydrogen 2.959 N/A ALA 245.A N GLY 241.A O no hydrogen 2.678 N/A VAL 246.A N PRO 242.A O no hydrogen 2.953 N/A ASP 247.A N LYS 243.A O no hydrogen 2.991 N/A LEU 248.A N ARG 244.A O no hydrogen 2.836 N/A ILE 249.A N ALA 245.A O no hydrogen 2.920 N/A GLN 250.A N VAL 246.A O no hydrogen 2.927 N/A LYS 251.A N ASP 247.A O no hydrogen 2.925 N/A LYS 251.A NZ HIS 252.A NE2 no hydrogen 2.755 N/A HIS 252.A N LEU 248.A O no hydrogen 2.805 N/A LYS 253.A N ILE 249.A O no hydrogen 2.766 N/A LYS 253.A NZ GLN 250.A O no hydrogen 2.841 N/A SER 254.A N HIS 252.A O no hydrogen 2.688 N/A ILE 255.A N ASP 224.A OD2 no hydrogen 3.231 N/A GLU 257.A N SER 254.A OG no hydrogen 3.331 N/A ILE 258.A N SER 254.A O no hydrogen 3.101 N/A VAL 259.A N ILE 255.A O no hydrogen 2.870 N/A VAL 259.A N GLU 256.A O no hydrogen 3.123 N/A ARG 260.A N GLU 256.A O no hydrogen 3.002 N/A ARG 260.A NE GLU 257.A OE2 no hydrogen 3.118 N/A ARG 260.A NH2 GLU 257.A OE2 no hydrogen 2.635 N/A ARG 261.A N GLU 257.A O no hydrogen 2.965 N/A LYS 266.A N ASP 263.A O no hydrogen 3.018 N/A LYS 266.A N ASP 263.A OD2 no hydrogen 2.639 N/A TYR 267.A N ASP 263.A O no hydrogen 2.866 N/A TRP 273.A NE1 GLU 235.A O no hydrogen 2.973 N/A GLU 277.A N GLU 277.A OE2 no hydrogen 2.949 N/A ALA 278.A N LEU 274.A O no hydrogen 2.858 N/A HIS 279.A N HIS 275.A O no hydrogen 2.935 N/A HIS 279.A ND1 ASP 224.A OD1 no hydrogen 2.731 N/A GLN 280.A N LYS 276.A O no hydrogen 2.954 N/A LEU 281.A N GLU 277.A O no hydrogen 2.969 N/A PHE 282.A N ALA 278.A O no hydrogen 2.924 N/A LEU 283.A N HIS 279.A O no hydrogen 2.964 N/A GLU 284.A N GLN 280.A O no hydrogen 3.050 N/A LEU 288.A N SER 161.A OG no hydrogen 3.010 N/A GLU 291.A N ASP 289.A OD1 no hydrogen 3.329 N/A SER 292.A N ASP 289.A O no hydrogen 2.944 N/A LYS 296.A NZ GLU 294.A OE2 no hydrogen 3.170 N/A TRP 297.A NE1 PRO 80.A O no hydrogen 3.007 N/A ASN 301.A N LEU 146.A O no hydrogen 3.197 N/A GLU 304.A N ASN 301.A OD1 no hydrogen 2.894 N/A LEU 305.A N ASN 301.A O no hydrogen 2.847 N/A ILE 306.A N GLU 302.A O no hydrogen 2.968 N/A LYS 307.A N GLU 303.A O no hydrogen 2.924 N/A PHE 308.A N GLU 304.A O no hydrogen 2.903 N/A MET 309.A N LEU 305.A O no hydrogen 2.917 N/A CYS 310.A SG PHE 315.A O no hydrogen 3.173 N/A GLY 311.A N ILE 306.A O no hydrogen 2.934 N/A GLU 312.A N LYS 307.A O no hydrogen 3.090 N/A GLU 312.A N PHE 308.A O no hydrogen 2.934 N/A LYS 313.A N MET 309.A O no hydrogen 2.933 N/A LYS 313.A NZ GLU 58.A OE1 no hydrogen 3.404 N/A LYS 313.A NZ GLU 139.A OE2 no hydrogen 3.245 N/A PHE 315.A N MET 309.A O no hydrogen 3.152 N/A ARG 319.A N SER 316.A OG no hydrogen 3.352 N/A ILE 320.A N SER 316.A O no hydrogen 3.062 N/A ARG 321.A N GLU 317.A O no hydrogen 2.917 N/A ARG 321.A NH1 GLU 302.A OE2 no hydrogen 2.993 N/A ARG 321.A NH2 GLU 317.A OE2 no hydrogen 2.952 N/A SER 322.A N GLU 318.A O no hydrogen 2.923 N/A GLY 323.A N ARG 319.A O no hydrogen 2.933 N/A VAL 324.A N ILE 320.A O no hydrogen 2.846 N/A LYS 325.A N ARG 321.A O no hydrogen 3.034 N/A ARG 326.A N SER 322.A O no hydrogen 2.942 N/A ARG 326.A NE GLU 75.A OE2 no hydrogen 2.847 N/A ARG 326.A NH2 GLU 75.A OE1 no hydrogen 3.378 N/A ARG 326.A NH2 GLU 75.A OE2 no hydrogen 3.323 N/A LEU 327.A N GLY 323.A O no hydrogen 2.980 N/A SER 328.A N VAL 324.A O no hydrogen 2.880 N/A SER 328.A OG GLU 299.A OE1 no hydrogen 2.583 N/A LYS 329.A N LYS 325.A O no hydrogen 2.867 N/A SER 330.A N ARG 326.A O no hydrogen 2.930 N/A SER 330.A OG ARG 326.A O no hydrogen 3.485 N/A SER 330.A OG LEU 327.A O no hydrogen 2.777 N/A ARG 331.A N LEU 327.A O no hydrogen 3.072 N/A ARG 331.A N SER 328.A O no hydrogen 3.298 N/A ARG 331.A NE TRP 297.A O no hydrogen 3.043 N/A ARG 331.A NH1 GLU 299.A OE2 no hydrogen 2.665 N/A ARG 331.A NH2 TRP 297.A O no hydrogen 3.288 N/A GLN 332.A N LYS 329.A O no hydrogen 3.076 N/A GLY 333.A N LYS 329.A O no hydrogen 3.383 N/A