Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aik_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 5.A OE1 no hydrogen 2.916 N/A GLU 5.A N SER 2.A OG no hydrogen 2.877 N/A ILE 6.A N SER 2.A O no hydrogen 2.949 N/A ARG 7.A N VAL 3.A O no hydrogen 2.858 N/A ARG 7.A NE VAL 62.A O no hydrogen 2.870 N/A ARG 7.A NH1 GLU 4.A OE2 no hydrogen 3.013 N/A ARG 7.A NH1 GLU 94.A OE1 no hydrogen 3.538 N/A ARG 7.A NH1 GLU 94.A OE2 no hydrogen 3.150 N/A ARG 7.A NH2 VAL 62.A O no hydrogen 3.075 N/A ARG 7.A NH2 GLU 94.A OE1 no hydrogen 2.868 N/A SER 8.A N GLU 4.A O no hydrogen 3.015 N/A LEU 9.A N GLU 5.A O no hydrogen 2.841 N/A PHE 10.A N ILE 6.A O no hydrogen 3.002 N/A LYS 11.A N ARG 7.A O no hydrogen 3.476 N/A GLN 12.A N SER 8.A O no hydrogen 2.856 N/A GLN 12.A NE2 SER 8.A OG no hydrogen 2.871 N/A PHE 13.A N LEU 9.A O no hydrogen 2.800 N/A SER 14.A N PHE 10.A O no hydrogen 3.133 N/A SER 14.A OG LYS 11.A O no hydrogen 2.601 N/A SER 15.A N GLN 12.A O no hydrogen 3.198 N/A SER 15.A OG GLN 12.A O no hydrogen 2.851 N/A LEU 16.A N PHE 13.A O no hydrogen 3.037 N/A THR 17.A N SER 14.A O no hydrogen 3.077 N/A ARG 19.A NE ASP 70.A OD2 no hydrogen 3.036 N/A ARG 19.A NH1 SER 14.A O no hydrogen 2.965 N/A ARG 19.A NH2 SER 14.A OG no hydrogen 3.036 N/A GLY 23.A N TYR 43.A O no hydrogen 2.751 N/A GLU 26.A N VAL 41.A O no hydrogen 2.963 N/A ILE 28.A N ALA 39.A O no hydrogen 2.869 N/A ILE 30.A N ILE 37.A O no hydrogen 2.764 N/A SER 33.A N ASP 106.A OD2 no hydrogen 2.835 N/A SER 33.A OG ASP 106.A OD2 no hydrogen 2.718 N/A ILE 37.A N ILE 30.A O no hydrogen 2.803 N/A LYS 38.A NZ ASP 27.A OD2 no hydrogen 3.560 N/A ALA 39.A N ILE 28.A O no hydrogen 3.039 N/A ARG 40.A N SER 86.A O no hydrogen 2.895 N/A ARG 40.A NE ASP 27.A OD1 no hydrogen 2.682 N/A ARG 40.A NH1 GLU 67.A OE2 no hydrogen 2.987 N/A ARG 40.A NH1 ASP 70.A OD1 no hydrogen 3.111 N/A ARG 40.A NH2 ASP 27.A OD1 no hydrogen 3.503 N/A ARG 40.A NH2 ASP 27.A OD2 no hydrogen 2.956 N/A ARG 40.A NH2 GLU 67.A OE1 no hydrogen 2.928 N/A VAL 41.A N GLU 26.A O no hydrogen 2.803 N/A TYR 42.A N THR 84.A O no hydrogen 2.754 N/A TYR 42.A OH ASP 70.A OD1 no hydrogen 2.637 N/A TYR 43.A N LYS 24.A O no hydrogen 2.799 N/A TYR 50.A N ASN 119.A O no hydrogen 2.819 N/A TYR 50.A OH THR 46.A O no hydrogen 2.755 N/A GLY 51.A N TYR 281.A OH no hydrogen 3.061 N/A VAL 52.A N GLY 123.A O no hydrogen 2.969 N/A LEU 53.A N VAL 83.A O no hydrogen 2.793 N/A VAL 54.A N ALA 125.A O no hydrogen 2.844 N/A TYR 55.A N ILE 85.A O no hydrogen 2.814 N/A TYR 55.A OH ASP 129.A OD1 no hydrogen 2.722 N/A TYR 56.A N GLY 127.A O no hydrogen 2.877 N/A TYR 56.A OH SER 104.A O no hydrogen 2.731 N/A HIS 57.A ND1 GLY 58.A O no hydrogen 2.777 N/A GLY 58.A N ASP 129.A OD1 no hydrogen 3.007 N/A VAL 62.A N GLY 59.A O no hydrogen 3.088 N/A LEU 63.A N GLY 59.A O no hydrogen 2.785 N/A ILE 66.A N ASP 88.A OD1 no hydrogen 3.133 N/A GLU 67.A N ASP 65.A OD2 no hydrogen 3.038 N/A SER 68.A N ASP 65.A OD1 no hydrogen 3.284 N/A SER 68.A OG ASP 65.A O no hydrogen 3.357 N/A SER 68.A OG ASP 65.A OD1 no hydrogen 2.718 N/A TYR 69.A N ASP 65.A O no hydrogen 3.136 N/A TYR 69.A OH ASP 129.A OD2 no hydrogen 2.809 N/A ASP 70.A N GLU 67.A O no hydrogen 3.115 N/A CYS 73.A N TYR 69.A O no hydrogen 2.937 N/A CYS 73.A SG TYR 69.A O no hydrogen 3.588 N/A CYS 73.A SG SER 86.A OG no hydrogen 3.712 N/A ARG 74.A N ASP 70.A O no hydrogen 2.987 N/A ARG 74.A NE ASP 70.A OD2 no hydrogen 2.682 N/A ARG 74.A NH1 GLU 20.A O no hydrogen 2.856 N/A ALA 75.A N PRO 71.A O no hydrogen 3.095 N/A ILE 76.A N LEU 72.A O no hydrogen 2.834 N/A THR 77.A N CYS 73.A O no hydrogen 2.880 N/A THR 77.A OG1 CYS 73.A O no hydrogen 2.797 N/A THR 77.A OG1 THR 84.A OG1 no hydrogen 2.963 N/A ASN 78.A N ARG 74.A O no hydrogen 3.106 N/A ASN 78.A ND2 GLU 20.A OE1 no hydrogen 2.912 N/A ASN 78.A ND2 GLU 21.A O no hydrogen 2.935 N/A SER 79.A N ALA 75.A O no hydrogen 2.942 N/A SER 79.A OG ILE 269.A O no hydrogen 2.804 N/A CYS 80.A N ILE 76.A O no hydrogen 2.815 N/A CYS 80.A SG ILE 76.A O no hydrogen 3.142 N/A CYS 80.A SG THR 77.A O no hydrogen 3.823 N/A CYS 82.A SG VAL 83.A O no hydrogen 3.671 N/A VAL 83.A N GLY 51.A O no hydrogen 2.967 N/A THR 84.A N TYR 42.A O no hydrogen 2.934 N/A THR 84.A OG1 THR 77.A OG1 no hydrogen 2.963 N/A ILE 85.A N LEU 53.A O no hydrogen 2.826 N/A SER 86.A N ARG 40.A O no hydrogen 2.847 N/A VAL 87.A N TYR 55.A O no hydrogen 3.067 N/A ASP 88.A N LYS 38.A O no hydrogen 2.876 N/A TYR 89.A OH HIS 57.A O no hydrogen 2.638 N/A ARG 90.A N ASP 103.A OD2 no hydrogen 2.899 N/A ARG 90.A NE ASP 103.A OD1 no hydrogen 3.157 N/A ARG 90.A NE ASP 103.A OD2 no hydrogen 2.793 N/A ARG 90.A NH1 GLU 34.A OE1 no hydrogen 3.329 N/A ARG 90.A NH2 GLU 34.A OE1 no hydrogen 2.833 N/A ARG 90.A NH2 ASP 103.A OD1 no hydrogen 2.761 N/A ALA 92.A N PHE 61.A O no hydrogen 2.852 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.804 N/A ASN 95.A N LEU 91.A O no hydrogen 2.914 N/A ASN 95.A ND2 LEU 91.A O no hydrogen 3.034 N/A LYS 96.A NZ GLN 189.A O no hydrogen 2.769 N/A LYS 96.A NZ LEU 191.A O no hydrogen 3.112 N/A PHE 97.A N TYR 190.A O no hydrogen 2.789 N/A ALA 99.A N LYS 96.A O no hydrogen 2.939 N/A VAL 102.A N PRO 98.A O no hydrogen 2.882 N/A ASP 103.A N ALA 99.A O no hydrogen 2.946 N/A SER 104.A N ALA 100.A O no hydrogen 2.909 N/A SER 104.A OG ALA 100.A O no hydrogen 2.725 N/A PHE 105.A N VAL 101.A O no hydrogen 2.852 N/A ASP 106.A N VAL 102.A O no hydrogen 2.789 N/A ALA 107.A N ASP 103.A O no hydrogen 2.951 N/A LEU 108.A N SER 104.A O no hydrogen 3.159 N/A LYS 109.A N PHE 105.A O no hydrogen 2.944 N/A TRP 110.A N ASP 106.A O no hydrogen 3.043 N/A VAL 111.A N ALA 107.A O no hydrogen 2.912 N/A TYR 112.A N LEU 108.A O no hydrogen 2.806 N/A ASN 113.A N LYS 109.A O no hydrogen 2.872 N/A ASN 114.A N VAL 111.A O no hydrogen 3.114 N/A ASN 114.A ND2 TRP 110.A O no hydrogen 2.840 N/A LYS 117.A N ASN 114.A O no hydrogen 2.892 N/A PHE 118.A N SER 115.A O no hydrogen 2.848 N/A ASN 119.A N GLU 116.A O no hydrogen 3.026 N/A GLY 120.A N SER 115.A O no hydrogen 2.890 N/A LYS 121.A N ASN 119.A O no hydrogen 3.002 N/A LYS 121.A NZ GLU 116.A OE2 no hydrogen 2.449 N/A TYR 122.A N TYR 50.A O no hydrogen 2.957 N/A GLY 123.A N GLY 120.A O no hydrogen 3.319 N/A ALA 125.A N VAL 52.A O no hydrogen 2.761 N/A VAL 126.A N TYR 152.A O no hydrogen 3.053 N/A GLY 127.A N VAL 54.A O no hydrogen 2.865 N/A GLY 128.A N VAL 154.A O no hydrogen 3.066 N/A SER 130.A N ILE 156.A O no hydrogen 2.838 N/A SER 130.A OG HIS 253.A NE2 no hydrogen 2.736 N/A ASN 134.A N SER 130.A O no hydrogen 2.954 N/A LEU 135.A N ALA 131.A O no hydrogen 3.059 N/A ALA 136.A N GLY 132.A O no hydrogen 2.944 N/A ALA 137.A N GLY 133.A O no hydrogen 2.949 N/A VAL 138.A N ASN 134.A O no hydrogen 2.921 N/A THR 139.A N LEU 135.A O no hydrogen 2.795 N/A THR 139.A OG1 LEU 135.A O no hydrogen 2.790 N/A ALA 140.A N ALA 136.A O no hydrogen 2.910 N/A ILE 141.A N ALA 137.A O no hydrogen 3.114 N/A LEU 142.A N VAL 138.A O no hydrogen 2.862 N/A SER 143.A N THR 139.A O no hydrogen 2.949 N/A SER 143.A OG THR 139.A O no hydrogen 2.898 N/A LYS 144.A N ALA 140.A O no hydrogen 3.369 N/A LYS 144.A NZ ASP 208.A O no hydrogen 2.650 N/A LYS 144.A NZ ASN 210.A O no hydrogen 2.796 N/A GLU 146.A N SER 143.A O no hydrogen 3.131 N/A ASN 147.A N LYS 144.A O no hydrogen 3.011 N/A ILE 148.A N SER 143.A O no hydrogen 2.810 N/A LYS 149.A N TYR 112.A OH no hydrogen 3.290 N/A LYS 151.A N ILE 124.A O no hydrogen 2.717 N/A GLN 153.A N PRO 214.A O no hydrogen 2.945 N/A GLN 153.A NE2 PRO 213.A O no hydrogen 2.978 N/A VAL 154.A N VAL 126.A O no hydrogen 2.855 N/A LEU 155.A N LEU 216.A O no hydrogen 2.905 N/A ILE 156.A N GLY 128.A O no hydrogen 2.950 N/A TYR 157.A N ILE 218.A O no hydrogen 2.735 N/A ALA 159.A N SER 130.A O no hydrogen 3.412 N/A VAL 160.A N GLN 228.A OE1 no hydrogen 2.827 N/A SER 161.A N GLN 228.A OE1 no hydrogen 3.183 N/A SER 161.A OG PHE 162.A O no hydrogen 2.705 N/A PHE 162.A N SER 203.A OG no hydrogen 3.220 N/A ILE 165.A N ASP 163.A OD1 no hydrogen 2.797 N/A THR 166.A N ASP 163.A OD1 no hydrogen 2.887 N/A THR 166.A OG1 ASP 163.A OD2 no hydrogen 2.524 N/A SER 168.A N ASP 227.A OD2 no hydrogen 3.016 N/A SER 168.A OG PRO 224.A O no hydrogen 2.881 N/A LEU 169.A N THR 166.A OG1 no hydrogen 3.348 N/A TYR 170.A OH LEU 164.A O no hydrogen 2.759 N/A ASP 171.A N LYS 167.A O no hydrogen 2.861 N/A ASN 172.A N SER 168.A O no hydrogen 2.797 N/A LEU 178.A N PHE 176.A O no hydrogen 2.797 N/A THR 179.A N HIS 182.A ND1 no hydrogen 3.327 N/A ARG 180.A N GLY 173.A O no hydrogen 2.942 N/A HIS 182.A N THR 179.A OG1 no hydrogen 3.194 N/A ILE 183.A N THR 179.A O no hydrogen 2.996 N/A ASP 184.A N ARG 180.A O no hydrogen 2.899 N/A TRP 185.A N GLU 181.A O no hydrogen 2.980 N/A PHE 186.A N HIS 182.A O no hydrogen 2.854 N/A GLY 187.A N ILE 183.A O no hydrogen 3.037 N/A GLN 188.A N ASP 184.A O no hydrogen 3.006 N/A GLN 189.A N TRP 185.A O no hydrogen 3.000 N/A GLN 189.A NE2 TRP 185.A O no hydrogen 3.573 N/A TYR 190.A N PHE 186.A O no hydrogen 2.979 N/A LEU 191.A N GLY 187.A O no hydrogen 3.026 N/A ARG 192.A N ASP 196.A OD2 no hydrogen 2.913 N/A ARG 192.A NE ASP 196.A OD2 no hydrogen 3.263 N/A ARG 192.A NH2 ASP 196.A OD1 no hydrogen 2.837 N/A SER 193.A N ASP 196.A OD2 no hydrogen 3.290 N/A ASP 196.A N SER 193.A O no hydrogen 2.923 N/A LEU 197.A N PHE 194.A O no hydrogen 2.977 N/A LEU 198.A N ALA 195.A O no hydrogen 2.971 N/A ASP 199.A N ASP 196.A O no hydrogen 2.905 N/A ARG 201.A N ASP 199.A OD1 no hydrogen 2.919 N/A ARG 201.A NE ASP 199.A OD1 no hydrogen 3.052 N/A ARG 201.A NE ASP 199.A OD2 no hydrogen 3.452 N/A ARG 201.A NH2 ASP 199.A OD2 no hydrogen 2.824 N/A PHE 202.A N ASP 199.A O no hydrogen 2.903 N/A SER 203.A N ASP 199.A O no hydrogen 2.908 N/A ILE 205.A N VAL 160.A O no hydrogen 3.177 N/A LEU 206.A N SER 203.A O no hydrogen 2.994 N/A ALA 207.A N PRO 204.A O no hydrogen 2.935 N/A ASN 210.A N ASP 208.A OD1 no hydrogen 3.004 N/A ASN 210.A ND2 ASP 208.A OD2 no hydrogen 3.064 N/A ALA 215.A N GLN 242.A O no hydrogen 3.062 N/A LEU 216.A N GLN 153.A O no hydrogen 3.043 N/A ILE 217.A N THR 244.A O no hydrogen 2.926 N/A ILE 218.A N LEU 155.A O no hydrogen 3.009 N/A THR 219.A N VAL 246.A O no hydrogen 3.036 N/A THR 219.A OG1 GLU 230.A OE2 no hydrogen 2.874 N/A GLU 221.A N PHE 248.A O no hydrogen 2.913 N/A HIS 222.A N VAL 251.A O no hydrogen 3.001 N/A ASP 223.A N ALA 220.A O no hydrogen 3.275 N/A LEU 225.A N ASP 223.A OD1 no hydrogen 2.779 N/A ARG 226.A N ASP 223.A O no hydrogen 3.057 N/A ARG 226.A NE ASP 227.A OD1 no hydrogen 2.970 N/A ARG 226.A NH1 GLU 221.A O no hydrogen 2.940 N/A ARG 226.A NH2 ASP 227.A OD1 no hydrogen 3.059 N/A ASP 227.A N SER 168.A OG no hydrogen 3.020 N/A GLN 228.A NE2 SER 161.A O no hydrogen 3.362 N/A GLN 228.A NE2 ASP 163.A OD2 no hydrogen 3.382 N/A GLY 229.A N LEU 225.A O no hydrogen 3.090 N/A GLU 230.A N ARG 226.A O no hydrogen 3.132 N/A ALA 231.A N ASP 227.A O no hydrogen 2.835 N/A TYR 232.A N GLN 228.A O no hydrogen 2.996 N/A ALA 233.A N GLY 229.A O no hydrogen 3.217 N/A ASN 234.A N GLU 230.A O no hydrogen 3.017 N/A LYS 235.A N ALA 231.A O no hydrogen 2.983 N/A LYS 235.A NZ ILE 205.A O no hydrogen 2.957 N/A LEU 236.A N TYR 232.A O no hydrogen 2.976 N/A LEU 237.A N ALA 233.A O no hydrogen 2.973 N/A GLN 238.A N ASN 234.A O no hydrogen 2.886 N/A SER 239.A N LYS 235.A O no hydrogen 2.954 N/A SER 239.A N LEU 236.A O no hydrogen 2.912 N/A SER 239.A OG LYS 235.A O no hydrogen 2.862 N/A GLY 240.A N LEU 237.A O no hydrogen 2.939 N/A VAL 241.A N LEU 236.A O no hydrogen 3.010 N/A THR 244.A N ALA 215.A O no hydrogen 2.967 N/A VAL 246.A N ILE 217.A O no hydrogen 2.852 N/A ARG 247.A NE GLU 230.A OE2 no hydrogen 2.804 N/A ARG 247.A NH2 GLU 230.A OE1 no hydrogen 2.904 N/A ARG 247.A NH2 GLU 230.A OE2 no hydrogen 3.510 N/A PHE 248.A N THR 219.A O no hydrogen 2.839 N/A ASN 250.A N GLU 221.A OE1 no hydrogen 2.723 N/A HIS 253.A ND1 ASP 223.A OD2 no hydrogen 2.819 N/A HIS 253.A NE2 SER 130.A OG no hydrogen 2.736 N/A PHE 255.A N ILE 252.A O no hydrogen 3.215 N/A VAL 256.A N TYR 157.A OH no hydrogen 3.002 N/A SER 257.A N GLY 254.A O no hydrogen 3.029 N/A PHE 258.A N PHE 255.A O no hydrogen 3.028 N/A PHE 259.A N VAL 256.A O no hydrogen 3.194 N/A PHE 261.A N PHE 258.A O no hydrogen 3.004 N/A ILE 262.A N PHE 258.A O no hydrogen 2.869 N/A GLN 264.A N GLN 264.A OE1 no hydrogen 2.927 N/A GLY 265.A N ILE 262.A O no hydrogen 2.893 N/A ARG 266.A N ILE 262.A O no hydrogen 3.448 N/A ARG 266.A NH2 GLU 20.A OE2 no hydrogen 2.686 N/A ASP 267.A N GLU 263.A O no hydrogen 2.961 N/A ALA 268.A N GLN 264.A O no hydrogen 2.852 N/A ILE 269.A N GLY 265.A O no hydrogen 3.003 N/A GLY 270.A N ARG 266.A O no hydrogen 2.923 N/A LEU 271.A N ASP 267.A O no hydrogen 2.876 N/A ILE 272.A N ALA 268.A O no hydrogen 2.901 N/A GLY 273.A N ILE 269.A O no hydrogen 2.961 N/A TYR 274.A N GLY 270.A O no hydrogen 2.914 N/A VAL 275.A N LEU 271.A O no hydrogen 3.047 N/A LEU 276.A N ILE 272.A O no hydrogen 3.180 N/A ARG 277.A N GLY 273.A O no hydrogen 2.910 N/A ARG 277.A NE SER 79.A O no hydrogen 3.340 N/A LYS 278.A N TYR 274.A O no hydrogen 2.905 N/A VAL 279.A N VAL 275.A O no hydrogen 2.950 N/A PHE 280.A N LEU 276.A O no hydrogen 2.880 N/A TYR 281.A N ARG 277.A O no hydrogen 2.834 N/A TYR 281.A OH GLN 81.A O no hydrogen 2.698 N/A GLY 282.A N LYS 278.A O no hydrogen 2.859 N/A LYS 283.A N ARG 277.A O no hydrogen 3.342 N/A