Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kxk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ TYR 25.A OH no hydrogen 3.246 N/A THR 3.A OG1 GLU 56.A O no hydrogen 2.804 N/A ALA 4.A N LYS 26.A O no hydrogen 3.264 N/A ALA 5.A N THR 59.A O no hydrogen 3.145 N/A LEU 6.A N SER 29.A O no hydrogen 2.955 N/A PHE 7.A N ILE 61.A O no hydrogen 2.953 N/A VAL 8.A N TYR 31.A O no hydrogen 2.838 N/A LYS 10.A NZ GLU 13.A OE1 no hydrogen 3.028 N/A GLU 13.A N LYS 10.A O no hydrogen 3.429 N/A ALA 16.A N PHE 12.A O no hydrogen 2.782 N/A ILE 17.A N GLU 13.A O no hydrogen 2.836 N/A ALA 18.A N GLU 14.A O no hydrogen 3.276 N/A LEU 19.A N GLU 15.A O no hydrogen 3.021 N/A VAL 20.A N ALA 16.A O no hydrogen 2.850 N/A GLU 21.A N ILE 17.A O no hydrogen 2.874 N/A GLY 22.A N ALA 18.A O no hydrogen 2.870 N/A ALA 23.A N VAL 20.A O no hydrogen 2.968 N/A ASN 24.A N GLU 21.A O no hydrogen 3.023 N/A TYR 25.A OH GLU 91.A OE2 no hydrogen 2.793 N/A LYS 26.A N LYS 2.A O no hydrogen 2.750 N/A THR 28.A N ALA 4.A O no hydrogen 3.210 N/A THR 28.A OG1 ALA 4.A O no hydrogen 3.511 N/A TYR 31.A N LEU 6.A O no hydrogen 2.710 N/A ASN 38.A N TYR 42.A O no hydrogen 2.648 N/A LYS 40.A N ASN 38.A OD1 no hydrogen 2.656 N/A PHE 41.A N ASN 38.A OD1 no hydrogen 3.359 N/A TYR 42.A N ASN 38.A O no hydrogen 2.723 N/A ILE 43.A N PHE 41.A O no hydrogen 2.676 N/A LYS 47.A N ASP 46.A OD1 no hydrogen 2.609 N/A LEU 48.A N GLN 44.A O no hydrogen 2.982 N/A GLN 49.A N TYR 45.A O no hydrogen 2.974 N/A GLN 50.A N ASP 46.A O no hydrogen 3.010 N/A ILE 51.A N LYS 47.A O no hydrogen 2.993 N/A LYS 52.A N LEU 48.A O no hydrogen 2.779 N/A ASN 53.A N GLN 49.A O no hydrogen 3.004 N/A ASP 54.A N ILE 51.A O no hydrogen 3.313 N/A GLU 56.A N ASP 54.A OD1 no hydrogen 2.930 N/A ILE 57.A N ASP 54.A O no hydrogen 2.993 N/A SER 58.A N THR 3.A OG1 no hydrogen 3.057 N/A SER 58.A OG THR 3.A O no hydrogen 2.740 N/A THR 59.A N THR 3.A O no hydrogen 3.180 N/A LEU 60.A N GLU 81.A O no hydrogen 2.932 N/A ILE 61.A N ALA 5.A O no hydrogen 3.005 N/A ILE 62.A N LEU 83.A O no hydrogen 2.760 N/A PHE 63.A N PHE 7.A O no hydrogen 2.857 N/A GLU 64.A N ILE 62.A O no hydrogen 2.816 N/A GLN 65.A N GLU 64.A OE2 no hydrogen 3.022 N/A LEU 66.A N ASP 84.A OD2 no hydrogen 3.389 N/A LYS 67.A N HIS 70.A ND1 no hydrogen 3.085 N/A ARG 69.A NH1 VAL 39.A O no hydrogen 3.061 N/A HIS 70.A N LYS 67.A O no hydrogen 2.815 N/A PHE 71.A N LYS 67.A O no hydrogen 3.334 N/A ILE 72.A N PRO 68.A O no hydrogen 3.126 N/A ASN 73.A N ARG 69.A O no hydrogen 3.123 N/A ILE 74.A N HIS 70.A O no hydrogen 2.817 N/A ARG 75.A N PHE 71.A O no hydrogen 2.904 N/A ARG 75.A NH1 GLU 114.A OE1 no hydrogen 2.989 N/A ARG 75.A NH2 GLU 114.A OE1 no hydrogen 3.552 N/A ARG 75.A NH2 GLU 114.A OE2 no hydrogen 2.815 N/A ARG 76.A N ILE 72.A O no hydrogen 3.155 N/A GLU 77.A N ILE 74.A O no hydrogen 3.223 N/A LEU 78.A N ILE 74.A O no hydrogen 3.124 N/A LYS 79.A N ARG 75.A O no hydrogen 3.280 N/A LYS 80.A NZ ILE 51.A O no hydrogen 2.780 N/A LYS 80.A NZ LYS 52.A O no hydrogen 3.022 N/A LYS 80.A NZ ASP 54.A O no hydrogen 2.834 N/A LYS 80.A NZ ILE 57.A O no hydrogen 3.193 N/A LEU 83.A N LEU 60.A O no hydrogen 2.787 N/A LYS 85.A N GLU 64.A O no hydrogen 3.244 N/A LEU 87.A N ASP 84.A OD1 no hydrogen 2.930 N/A LEU 88.A N ASP 84.A O no hydrogen 2.854 N/A LEU 89.A N LYS 85.A O no hydrogen 2.890 N/A LEU 90.A N ILE 86.A O no hydrogen 2.977 N/A GLU 91.A N LEU 87.A O no hydrogen 2.920 N/A ILE 92.A N LEU 88.A O no hydrogen 2.909 N/A PHE 93.A N LEU 89.A O no hydrogen 2.866 N/A ALA 94.A N LEU 90.A O no hydrogen 3.051 N/A LEU 95.A N ILE 92.A O no hydrogen 3.169 N/A HIS 96.A N ILE 92.A O no hydrogen 3.377 N/A HIS 96.A ND1 ILE 92.A O no hydrogen 2.952 N/A ALA 97.A N PHE 93.A O no hydrogen 2.720 N/A GLY 98.A N GLU 187.A OE1 no hydrogen 2.992 N/A GLY 98.A N GLU 187.A OE2 no hydrogen 2.991 N/A SER 99.A N GLU 187.A OE2 no hydrogen 2.896 N/A SER 99.A OG GLU 187.A OE2 no hydrogen 2.644 N/A ALA 102.A N SER 99.A OG no hydrogen 3.366 N/A LYS 103.A N SER 99.A O no hydrogen 3.079 N/A MET 104.A N LYS 100.A O no hydrogen 2.914 N/A GLN 105.A N GLU 101.A O no hydrogen 2.843 N/A ILE 106.A N ALA 102.A O no hydrogen 2.807 N/A GLU 107.A N LYS 103.A O no hydrogen 2.864 N/A LEU 108.A N MET 104.A O no hydrogen 2.698 N/A ALA 109.A N GLN 105.A O no hydrogen 2.907 N/A ARG 110.A N ILE 106.A O no hydrogen 2.826 N/A ARG 110.A NE GLU 107.A OE1 no hydrogen 2.884 N/A ARG 110.A NH2 GLU 107.A OE1 no hydrogen 2.778 N/A LEU 111.A N GLU 107.A O no hydrogen 2.776 N/A LYS 112.A N LEU 108.A O no hydrogen 2.674 N/A TYR 113.A N ALA 109.A O no hydrogen 2.746 N/A TYR 113.A OH ASP 84.A OD2 no hydrogen 2.628 N/A GLU 114.A N ARG 110.A O no hydrogen 2.695 N/A LEU 115.A N LYS 112.A O no hydrogen 2.978 N/A ILE 118.A N GLU 114.A O no hydrogen 2.818 N/A LYS 119.A N LEU 115.A O no hydrogen 2.618 N/A GLU 120.A N PRO 116.A O no hydrogen 2.790 N/A GLU 120.A N ILE 117.A O no hydrogen 3.273 N/A THR 121.A N ILE 118.A O no hydrogen 3.046 N/A SER 126.A N ASP 192.A OD2 no hydrogen 2.885 N/A ILE 127.A N MET 162.A O no hydrogen 2.923 N/A GLY 128.A N ALA 193.A O no hydrogen 3.006 N/A ILE 129.A N VAL 164.A O no hydrogen 2.876 N/A VAL 130.A N ILE 195.A O no hydrogen 3.077 N/A SER 135.A N TYR 132.A O no hydrogen 3.139 N/A SER 135.A OG TYR 132.A O no hydrogen 2.771 N/A LYS 137.A NZ ILE 129.A O no hydrogen 3.106 N/A LYS 137.A NZ THR 166.A O no hydrogen 2.513 N/A LEU 140.A N GLY 136.A O no hydrogen 3.039 N/A PHE 141.A N LYS 137.A O no hydrogen 2.934 N/A ASN 142.A N THR 138.A O no hydrogen 2.807 N/A SER 143.A N SER 139.A O no hydrogen 2.966 N/A SER 143.A N LEU 140.A O no hydrogen 3.141 N/A SER 143.A OG SER 139.A O no hydrogen 2.901 N/A SER 143.A OG ALA 267.A O no hydrogen 2.954 N/A LEU 144.A N LEU 140.A O no hydrogen 3.014 N/A THR 145.A N PHE 141.A O no hydrogen 2.971 N/A THR 145.A OG1 PHE 141.A O no hydrogen 2.902 N/A GLY 146.A N ASN 142.A O no hydrogen 2.735 N/A LEU 147.A N ASN 142.A O no hydrogen 3.053 N/A LYS 150.A NZ GLY 22.A O no hydrogen 3.261 N/A TYR 152.A N LEU 163.A O no hydrogen 2.970 N/A ILE 154.A N ILE 161.A O no hydrogen 2.796 N/A ILE 156.A N ARG 159.A O no hydrogen 2.733 N/A ARG 159.A N ILE 156.A O no hydrogen 2.996 N/A ILE 161.A N ILE 154.A O no hydrogen 2.883 N/A MET 162.A N PRO 125.A O no hydrogen 2.985 N/A LEU 163.A N TYR 152.A O no hydrogen 2.874 N/A VAL 164.A N ILE 127.A O no hydrogen 3.037 N/A ASP 165.A N LYS 150.A O no hydrogen 2.841 N/A THR 166.A OG1 ILE 129.A O no hydrogen 2.895 N/A PHE 169.A N GLY 131.A O no hydrogen 2.855 N/A ARG 171.A NE TYR 132.A OH no hydrogen 3.428 N/A ARG 171.A NH2 GLU 209.A OE2 no hydrogen 2.914 N/A ILE 177.A N PRO 174.A O no hydrogen 2.985 N/A VAL 178.A N PRO 175.A O no hydrogen 3.459 N/A PHE 181.A N ILE 177.A O no hydrogen 3.052 N/A PHE 182.A N VAL 178.A O no hydrogen 2.896 N/A VAL 183.A N ASP 179.A O no hydrogen 3.172 N/A THR 184.A N ALA 180.A O no hydrogen 3.174 N/A THR 184.A OG1 ALA 180.A O no hydrogen 2.780 N/A LEU 185.A N PHE 181.A O no hydrogen 2.852 N/A SER 186.A N PHE 182.A O no hydrogen 2.801 N/A SER 186.A OG PHE 182.A O no hydrogen 2.671 N/A GLU 187.A N THR 184.A O no hydrogen 3.412 N/A ALA 188.A N LEU 185.A O no hydrogen 3.016 N/A LYS 189.A N SER 186.A O no hydrogen 2.942 N/A LYS 189.A NZ SER 186.A O no hydrogen 3.345 N/A TYR 190.A N GLU 187.A O no hydrogen 3.229 N/A SER 191.A N ALA 188.A O no hydrogen 3.291 N/A SER 191.A OG ALA 188.A O no hydrogen 3.395 N/A ASP 192.A N SER 126.A O no hydrogen 2.893 N/A ALA 193.A N SER 126.A O no hydrogen 3.397 N/A LEU 194.A N PRO 227.A O no hydrogen 3.242 N/A ILE 195.A N GLY 128.A O no hydrogen 2.792 N/A LEU 196.A N LEU 229.A O no hydrogen 3.170 N/A VAL 197.A N VAL 130.A O no hydrogen 2.905 N/A ILE 198.A N THR 231.A O no hydrogen 2.960 N/A SER 200.A N ASN 233.A O no hydrogen 3.189 N/A SER 200.A OG ASN 233.A O no hydrogen 2.707 N/A THR 201.A N ASP 199.A OD1 no hydrogen 3.065 N/A THR 201.A OG1 ASP 199.A OD1 no hydrogen 2.686 N/A THR 201.A OG1 ASP 199.A OD2 no hydrogen 2.837 N/A LEU 207.A N SER 203.A O no hydrogen 2.860 N/A ILE 208.A N GLU 204.A O no hydrogen 3.109 N/A GLU 209.A N ASN 205.A O no hydrogen 2.857 N/A THR 210.A N LEU 206.A O no hydrogen 2.820 N/A THR 210.A OG1 LEU 206.A O no hydrogen 2.874 N/A LEU 211.A N LEU 207.A O no hydrogen 2.872 N/A GLN 212.A N ILE 208.A O no hydrogen 2.791 N/A SER 213.A N GLU 209.A O no hydrogen 2.786 N/A SER 213.A OG GLU 209.A O no hydrogen 2.691 N/A SER 213.A OG GLU 209.A OE1 no hydrogen 2.796 N/A SER 214.A N THR 210.A O no hydrogen 2.827 N/A SER 214.A OG THR 210.A O no hydrogen 2.758 N/A PHE 215.A N LEU 211.A O no hydrogen 3.058 N/A GLU 216.A N GLN 212.A O no hydrogen 2.858 N/A ILE 217.A N SER 213.A O no hydrogen 2.799 N/A LEU 218.A N SER 214.A O no hydrogen 2.972 N/A ARG 219.A N PHE 215.A O no hydrogen 2.857 N/A ARG 219.A NE GLU 216.A OE1 no hydrogen 3.087 N/A ARG 219.A NH2 GLU 216.A OE2 no hydrogen 2.827 N/A GLU 220.A N GLU 216.A O no hydrogen 2.894 N/A ILE 221.A N ILE 217.A O no hydrogen 3.049 N/A GLY 222.A N ARG 219.A O no hydrogen 3.054 N/A VAL 223.A N LEU 218.A O no hydrogen 2.980 N/A ILE 228.A N PRO 258.A O no hydrogen 3.038 N/A LEU 229.A N LEU 194.A O no hydrogen 2.903 N/A VAL 230.A N ASP 261.A O no hydrogen 2.933 N/A THR 231.A N LEU 196.A O no hydrogen 2.944 N/A LEU 232.A N ILE 263.A O no hydrogen 2.872 N/A ASN 233.A N ILE 198.A O no hydrogen 2.778 N/A ASN 233.A ND2 SER 135.A O no hydrogen 2.797 N/A LYS 234.A NZ ASN 134.A O no hydrogen 2.995 N/A ILE 235.A N ILE 265.A O no hydrogen 3.367 N/A LYS 244.A N ASP 240.A O no hydrogen 3.027 N/A LYS 244.A NZ SER 200.A O no hydrogen 2.926 N/A LYS 244.A NZ PHE 202.A O no hydrogen 3.014 N/A LEU 245.A N LEU 241.A O no hydrogen 2.747 N/A ASP 246.A N TYR 242.A O no hydrogen 2.913 N/A LEU 247.A N LYS 243.A O no hydrogen 3.402 N/A VAL 248.A N LYS 244.A O no hydrogen 2.889 N/A GLU 249.A N LEU 245.A O no hydrogen 2.782 N/A LYS 250.A N ASP 246.A O no hydrogen 2.851 N/A LYS 250.A NZ ASP 246.A OD1 no hydrogen 3.405 N/A LEU 251.A N LEU 247.A O no hydrogen 2.728 N/A SER 252.A N VAL 248.A O no hydrogen 2.712 N/A SER 252.A OG VAL 248.A O no hydrogen 2.724 N/A LYS 253.A N GLU 249.A O no hydrogen 3.233 N/A GLU 254.A N LEU 251.A O no hydrogen 2.986 N/A LEU 255.A N SER 252.A O no hydrogen 3.003 N/A TYR 256.A N SER 252.A O no hydrogen 3.036 N/A TYR 256.A OH LYS 226.A O no hydrogen 2.676 N/A PHE 260.A N ILE 228.A O no hydrogen 2.864 N/A VAL 262.A N ASP 261.A OD1 no hydrogen 2.718 N/A ILE 263.A N VAL 230.A O no hydrogen 2.974 N/A ILE 265.A N LEU 232.A O no hydrogen 2.859 N/A ALA 267.A N ASN 233.A OD1 no hydrogen 2.929 N/A THR 271.A N SER 266.A O no hydrogen 3.301 N/A ASN 272.A ND2 PRO 264.A O no hydrogen 3.323 N/A LEU 276.A N ASN 272.A O no hydrogen 3.102 N/A ARG 277.A N LEU 273.A O no hydrogen 2.796 N/A ASP 278.A N GLU 274.A O no hydrogen 2.940 N/A LYS 279.A N LEU 275.A O no hydrogen 2.902 N/A ILE 280.A N LEU 276.A O no hydrogen 2.805 N/A TYR 281.A N ARG 277.A O no hydrogen 2.893 N/A TYR 281.A OH ASN 158.A OD1 no hydrogen 2.919 N/A GLN 282.A N ASP 278.A O no hydrogen 2.842 N/A LEU 283.A N LYS 279.A O no hydrogen 2.808 N/A ALA 284.A N ILE 280.A O no hydrogen 2.800 N/A THR 285.A N TYR 281.A O no hydrogen 2.777 N/A THR 285.A OG1 TYR 281.A O no hydrogen 3.028 N/A GLN 286.A N GLN 282.A O no hydrogen 2.872 N/A LEU 287.A N LEU 283.A O no hydrogen 2.843 N/A SER 288.A N ALA 284.A O no hydrogen 2.981 N/A SER 288.A OG ALA 284.A O no hydrogen 3.174 N/A SER 288.A OG THR 285.A O no hydrogen 2.677 N/A LEU 289.A N THR 285.A O no hydrogen 2.983 N/A LEU 289.A N GLN 286.A O no hydrogen 3.021 N/A