Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ako_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PHE 266.A O no hydrogen 2.707 N/A LYS 2.A N ASP 28.A OD2 no hydrogen 2.877 N/A LYS 2.A NZ HIS 25.A O no hydrogen 3.531 N/A PHE 3.A N ALA 264.A O no hydrogen 2.952 N/A VAL 4.A N VAL 29.A O no hydrogen 3.000 N/A SER 5.A N VAL 262.A O no hydrogen 2.842 N/A PHE 6.A N GLY 31.A O no hydrogen 2.889 N/A ASN 7.A ND2 GLU 34.A OE1 no hydrogen 3.052 N/A ASN 7.A ND2 ASP 151.A OD2 no hydrogen 2.946 N/A ILE 8.A N GLN 33.A O no hydrogen 3.102 N/A ASN 9.A ND2 TYR 215.A OH no hydrogen 3.278 N/A GLY 10.A N GLU 34.A O no hydrogen 2.813 N/A LEU 11.A N THR 35.A O no hydrogen 2.937 N/A ALA 13.A N GLY 10.A O no hydrogen 3.136 N/A ARG 14.A N LEU 11.A O no hydrogen 3.274 N/A ARG 14.A NE ILE 8.A O no hydrogen 2.948 N/A ARG 14.A NE ASN 9.A O no hydrogen 3.119 N/A ARG 14.A NH1 LYS 255.A O no hydrogen 2.884 N/A ARG 14.A NH2 ASN 9.A O no hydrogen 3.057 N/A GLN 17.A N ARG 14.A O no hydrogen 3.099 N/A GLN 17.A NE2 ILE 250.A O no hydrogen 3.035 N/A GLU 19.A N PRO 15.A O no hydrogen 3.056 N/A ALA 20.A N HIS 16.A O no hydrogen 3.111 N/A ILE 21.A N GLN 17.A O no hydrogen 2.966 N/A VAL 22.A N LEU 18.A O no hydrogen 3.085 N/A GLU 23.A N GLU 19.A O no hydrogen 2.839 N/A LYS 24.A N ALA 20.A O no hydrogen 2.860 N/A LYS 24.A NZ ASP 247.A OD1 no hydrogen 2.987 N/A LYS 24.A NZ ASP 247.A OD2 no hydrogen 2.821 N/A LYS 24.A NZ GLU 249.A OE1 no hydrogen 2.742 N/A HIS 25.A N ILE 21.A O no hydrogen 2.806 N/A GLN 26.A N VAL 22.A O no hydrogen 2.839 N/A GLN 26.A NE2 GLU 23.A O no hydrogen 3.687 N/A ASP 28.A N LYS 2.A O no hydrogen 2.958 N/A VAL 29.A N LYS 2.A O no hydrogen 3.202 N/A ILE 30.A N LEU 68.A O no hydrogen 2.844 N/A GLY 31.A N VAL 4.A O no hydrogen 2.858 N/A LEU 32.A N ALA 66.A O no hydrogen 2.931 N/A GLN 33.A N PHE 6.A O no hydrogen 3.048 N/A GLN 33.A NE2 SER 5.A OG no hydrogen 3.067 N/A GLN 33.A NE2 ASN 107.A OD1 no hydrogen 2.789 N/A THR 35.A N GLY 64.A O no hydrogen 3.283 N/A LYS 36.A N TYR 63.A O no hydrogen 2.941 N/A LYS 36.A NZ ASN 9.A OD1 no hydrogen 2.758 N/A MET 41.A N HIS 38.A O no hydrogen 2.842 N/A PHE 42.A N ASP 39.A O no hydrogen 3.191 N/A LEU 44.A N PHE 42.A O no hydrogen 2.806 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.687 N/A VAL 47.A N PRO 43.A O no hydrogen 2.920 N/A ALA 48.A N LEU 44.A O no hydrogen 2.927 N/A LYS 49.A N GLU 45.A O no hydrogen 2.850 N/A LEU 50.A N GLU 46.A O no hydrogen 3.156 N/A LEU 50.A N VAL 47.A O no hydrogen 3.073 N/A GLY 51.A N ALA 48.A O no hydrogen 2.873 N/A TYR 52.A N VAL 47.A O no hydrogen 3.378 N/A TYR 52.A OH PRO 27.A O no hydrogen 2.692 N/A ASN 53.A N THR 69.A O no hydrogen 2.886 N/A ASN 53.A ND2 THR 69.A O no hydrogen 3.309 N/A PHE 55.A N LEU 67.A O no hydrogen 3.015 N/A HIS 57.A N VAL 65.A O no hydrogen 3.101 N/A HIS 57.A ND1 GLN 88.A O no hydrogen 3.331 N/A GLY 58.A N ASP 39.A OD1 no hydrogen 3.008 N/A GLY 61.A N LYS 36.A O no hydrogen 3.131 N/A HIS 62.A N GLN 59.A O no hydrogen 3.438 N/A GLY 64.A N ARG 89.A O no hydrogen 3.002 N/A VAL 65.A N HIS 57.A O no hydrogen 3.004 N/A ALA 66.A N LEU 32.A O no hydrogen 3.223 N/A LEU 67.A N PHE 55.A O no hydrogen 2.770 N/A LEU 68.A N ILE 30.A O no hydrogen 2.812 N/A THR 69.A N ASN 53.A O no hydrogen 2.961 N/A THR 69.A OG1 GLU 71.A O no hydrogen 2.779 N/A LYS 70.A N ASP 28.A O no hydrogen 2.981 N/A ILE 74.A N GLU 95.A O no hydrogen 2.846 N/A ARG 77.A N MET 93.A O no hydrogen 2.963 N/A ARG 77.A NE GLY 79.A O no hydrogen 2.821 N/A ARG 77.A NH2 ARG 78.A O no hydrogen 3.376 N/A ARG 78.A NE GLN 88.A OE1 no hydrogen 3.071 N/A GLY 79.A N ILE 91.A O no hydrogen 2.768 N/A PHE 80.A N ASP 83.A OD2 no hydrogen 2.846 N/A ASP 83.A N PHE 80.A O no hydrogen 2.981 N/A ALA 87.A N ASP 84.A OD1 no hydrogen 2.979 N/A GLN 88.A N ASP 84.A O no hydrogen 3.094 N/A GLN 88.A NE2 ASP 83.A O no hydrogen 3.029 N/A ARG 89.A N GLU 86.A O no hydrogen 2.942 N/A ARG 90.A N ALA 87.A O no hydrogen 2.927 N/A ARG 90.A NH1 TYR 109.A O no hydrogen 3.128 N/A ILE 92.A N ASN 107.A O no hydrogen 3.009 N/A MET 93.A N ARG 77.A O no hydrogen 2.906 N/A ALA 94.A N VAL 105.A O no hydrogen 2.791 N/A GLU 95.A N ALA 75.A O no hydrogen 2.913 N/A ILE 96.A N VAL 103.A O no hydrogen 2.810 N/A SER 98.A N GLY 101.A O no hydrogen 2.891 N/A GLY 101.A N SER 98.A O no hydrogen 3.275 N/A VAL 103.A N ILE 96.A O no hydrogen 2.801 N/A THR 104.A N PRO 145.A O no hydrogen 3.069 N/A VAL 105.A N ALA 94.A O no hydrogen 2.774 N/A ILE 106.A N LEU 147.A O no hydrogen 2.871 N/A ASN 107.A N ILE 92.A O no hydrogen 2.848 N/A ASN 107.A ND2 LEU 32.A O no hydrogen 3.210 N/A GLY 108.A N MET 149.A O no hydrogen 2.989 N/A TYR 109.A N ARG 90.A O no hydrogen 2.798 N/A PHE 110.A N ASP 151.A O no hydrogen 3.009 N/A GLN 112.A NE2 CYS 177.A O no hydrogen 3.664 N/A GLU 114.A N GLN 112.A OE1 no hydrogen 2.773 N/A SER 115.A N GLY 113.A O no hydrogen 2.771 N/A SER 115.A OG ASP 117.A OD1 no hydrogen 2.913 N/A ARG 116.A N GLY 175.A O no hydrogen 2.825 N/A ARG 116.A NE GLU 182.A OE1 no hydrogen 3.394 N/A ARG 116.A NE GLU 182.A OE2 no hydrogen 2.763 N/A ARG 116.A NH2 GLU 182.A OE1 no hydrogen 3.137 N/A HIS 118.A N SER 115.A O no hydrogen 3.078 N/A LYS 121.A NZ GLU 114.A OE1 no hydrogen 3.208 N/A ALA 124.A N ILE 120.A O no hydrogen 3.152 N/A LYS 125.A N LYS 121.A O no hydrogen 3.085 N/A LYS 125.A NZ GLN 112.A O no hydrogen 2.786 N/A LYS 125.A NZ ASN 153.A O no hydrogen 2.809 N/A LYS 125.A NZ GLU 183.A OE2 no hydrogen 2.742 N/A ALA 126.A N PHE 122.A O no hydrogen 2.960 N/A GLN 127.A N PRO 123.A O no hydrogen 2.871 N/A PHE 128.A N ALA 124.A O no hydrogen 2.994 N/A TYR 129.A N LYS 125.A O no hydrogen 3.160 N/A TYR 129.A OH MET 152.A O no hydrogen 2.737 N/A GLN 130.A N ALA 126.A O no hydrogen 2.950 N/A ASN 131.A N GLN 127.A O no hydrogen 2.872 N/A LEU 132.A N PHE 128.A O no hydrogen 3.142 N/A GLN 133.A N TYR 129.A O no hydrogen 2.895 N/A GLN 133.A NE2 GLU 137.A OE2 no hydrogen 3.031 N/A GLN 133.A NE2 ARG 189.A O no hydrogen 3.224 N/A ASN 134.A N GLN 130.A O no hydrogen 2.890 N/A TYR 135.A N ASN 131.A O no hydrogen 3.016 N/A LEU 136.A N LEU 132.A O no hydrogen 2.952 N/A GLU 137.A N GLN 133.A O no hydrogen 2.966 N/A THR 138.A N ASN 134.A O no hydrogen 3.005 N/A THR 138.A OG1 ASN 134.A O no hydrogen 2.741 N/A GLU 139.A N TYR 135.A O no hydrogen 2.882 N/A LEU 140.A N LEU 136.A O no hydrogen 3.087 N/A LYS 141.A N ASN 144.A OD1 no hydrogen 3.290 N/A ASN 144.A N LYS 141.A O no hydrogen 2.840 N/A VAL 146.A N SER 234.A OG no hydrogen 2.801 N/A LEU 147.A N THR 104.A O no hydrogen 2.867 N/A ILE 148.A N LEU 232.A O no hydrogen 2.790 N/A MET 149.A N ILE 106.A O no hydrogen 2.876 N/A GLY 150.A N LEU 230.A O no hydrogen 3.170 N/A ASP 151.A N GLY 108.A O no hydrogen 3.174 N/A MET 152.A N ILE 228.A O no hydrogen 2.874 N/A ASN 153.A N ASP 151.A OD1 no hydrogen 3.256 N/A ASN 153.A ND2 PHE 110.A O no hydrogen 2.785 N/A SER 155.A N SER 178.A O no hydrogen 2.937 N/A THR 157.A N ASP 160.A OD2 no hydrogen 2.988 N/A THR 157.A OG1 ASP 160.A OD2 no hydrogen 3.475 N/A LEU 159.A N THR 157.A OG1 no hydrogen 3.370 N/A ASP 160.A N THR 157.A O no hydrogen 2.980 N/A ILE 161.A N ASP 158.A O no hydrogen 3.140 N/A GLY 162.A N GLY 225.A O no hydrogen 2.831 N/A ASN 167.A ND2 ILE 163.A O no hydrogen 2.893 N/A ARG 168.A N GLY 164.A O no hydrogen 2.851 N/A ARG 168.A NE GLU 165.A OE2 no hydrogen 2.843 N/A ARG 168.A NH2 GLU 165.A OE1 no hydrogen 2.916 N/A LYS 169.A N GLU 165.A O no hydrogen 3.009 N/A ARG 170.A N GLU 166.A O no hydrogen 3.043 N/A ARG 170.A NH2 ASN 167.A OD1 no hydrogen 2.805 N/A TRP 171.A N ASN 167.A O no hydrogen 2.932 N/A LEU 172.A N ARG 168.A O no hydrogen 3.130 N/A ARG 173.A N LYS 169.A O no hydrogen 2.868 N/A THR 174.A N ARG 170.A O no hydrogen 2.880 N/A THR 174.A OG1 ARG 170.A O no hydrogen 3.006 N/A THR 174.A OG1 TRP 171.A O no hydrogen 3.391 N/A GLY 175.A N LEU 172.A O no hydrogen 3.137 N/A LYS 176.A N TRP 171.A O no hydrogen 2.868 N/A CYS 177.A N GLU 114.A O no hydrogen 3.055 N/A SER 178.A N GLU 183.A OE1 no hydrogen 2.803 N/A SER 178.A OG CYS 177.A O no hydrogen 2.632 N/A LEU 180.A N GLU 183.A OE1 no hydrogen 3.040 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.976 N/A ARG 184.A N LEU 180.A O no hydrogen 2.952 N/A ARG 184.A NE SER 155.A O no hydrogen 2.805 N/A ARG 184.A NH1 ASP 158.A OD1 no hydrogen 2.985 N/A ARG 184.A NH2 SER 155.A O no hydrogen 3.111 N/A ARG 184.A NH2 ASP 158.A OD1 no hydrogen 2.990 N/A GLU 185.A N PRO 181.A O no hydrogen 2.973 N/A TRP 186.A N GLU 182.A O no hydrogen 3.207 N/A MET 187.A N GLU 183.A O no hydrogen 3.083 N/A ASP 188.A N ARG 184.A O no hydrogen 2.801 N/A ARG 189.A N GLU 185.A O no hydrogen 2.959 N/A LEU 190.A N TRP 186.A O no hydrogen 3.049 N/A MET 191.A N MET 187.A O no hydrogen 2.983 N/A SER 192.A N ASP 188.A O no hydrogen 2.886 N/A SER 192.A OG ASP 188.A O no hydrogen 2.930 N/A TRP 193.A N LEU 190.A O no hydrogen 3.142 N/A GLY 194.A N MET 191.A O no hydrogen 2.851 N/A LEU 195.A N MET 191.A O no hydrogen 2.958 N/A VAL 196.A N ALA 233.A O no hydrogen 2.789 N/A THR 198.A N LEU 231.A O no hydrogen 3.127 N/A THR 198.A OG1 LEU 231.A O no hydrogen 2.825 N/A ARG 200.A N ASP 197.A OD1 no hydrogen 3.378 N/A ARG 200.A NH1 ASN 203.A O no hydrogen 2.801 N/A ARG 200.A NH1 THR 206.A O no hydrogen 2.694 N/A ARG 200.A NH2 ASP 160.A OD1 no hydrogen 2.816 N/A ARG 200.A NH2 THR 206.A O no hydrogen 3.152 N/A HIS 201.A N ASP 197.A O no hydrogen 2.843 N/A ALA 202.A N THR 198.A O no hydrogen 3.085 N/A ASN 203.A N PHE 199.A O no hydrogen 2.872 N/A ASN 203.A N ARG 200.A O no hydrogen 3.171 N/A ASN 203.A ND2 PHE 199.A O no hydrogen 3.042 N/A ASN 203.A ND2 THR 244.A OG1 no hydrogen 3.365 N/A THR 206.A N ASN 203.A O no hydrogen 3.258 N/A ARG 209.A NH1 ASP 208.A O no hydrogen 2.782 N/A PHE 210.A N TYR 248.A OH no hydrogen 2.928 N/A SER 211.A N LEU 226.A O no hydrogen 2.996 N/A SER 211.A OG LEU 226.A O no hydrogen 3.519 N/A SER 211.A OG ASP 229.A OD2 no hydrogen 2.680 N/A TRP 212.A N LEU 226.A O no hydrogen 2.932 N/A TRP 212.A NE1 ASP 258.A OD2 no hydrogen 2.945 N/A PHE 213.A N ASP 258.A O no hydrogen 3.114 N/A TYR 215.A OH PRO 256.A O no hydrogen 2.789 N/A SER 217.A N ASP 214.A OD2 no hydrogen 3.055 N/A SER 217.A OG ASP 214.A OD2 no hydrogen 3.136 N/A LYS 218.A N TYR 215.A O no hydrogen 2.847 N/A GLY 219.A N ASP 214.A O no hydrogen 3.169 N/A ASP 221.A N LYS 218.A O no hydrogen 3.204 N/A ASN 223.A N PHE 220.A O no hydrogen 3.240 N/A ASN 223.A ND2 ASP 208.A O no hydrogen 2.908 N/A ARG 224.A N GLY 219.A O no hydrogen 2.868 N/A ARG 224.A NE ASP 222.A OD2 no hydrogen 3.337 N/A ARG 224.A NH2 SER 217.A O no hydrogen 3.100 N/A ARG 224.A NH2 ASP 222.A OD2 no hydrogen 3.036 N/A LEU 226.A N TRP 212.A O no hydrogen 2.981 N/A ARG 227.A N ASP 160.A O no hydrogen 2.907 N/A ARG 227.A NE ASP 160.A OD1 no hydrogen 2.773 N/A ARG 227.A NH1 ASP 197.A OD1 no hydrogen 3.071 N/A ARG 227.A NH1 ASP 197.A OD2 no hydrogen 3.422 N/A ARG 227.A NH2 ASP 160.A OD1 no hydrogen 2.947 N/A ARG 227.A NH2 ASP 160.A OD2 no hydrogen 3.472 N/A ARG 227.A NH2 ASP 197.A OD2 no hydrogen 2.779 N/A ILE 228.A N SER 211.A OG no hydrogen 3.060 N/A ASP 229.A N SER 211.A OG no hydrogen 3.044 N/A LEU 230.A N GLY 150.A O no hydrogen 3.057 N/A LEU 232.A N ILE 148.A O no hydrogen 2.740 N/A ALA 233.A N VAL 196.A O no hydrogen 2.971 N/A SER 234.A N VAL 146.A O no hydrogen 2.953 N/A SER 234.A OG ASN 144.A O no hydrogen 2.652 N/A SER 234.A OG VAL 146.A O no hydrogen 3.531 N/A LEU 237.A N SER 234.A O no hydrogen 2.993 N/A ALA 238.A N SER 234.A O no hydrogen 2.885 N/A GLU 239.A N GLN 235.A O no hydrogen 3.022 N/A CYS 240.A N LEU 237.A O no hydrogen 2.899 N/A CYS 240.A SG PRO 236.A O no hydrogen 3.592 N/A CYS 241.A N ALA 238.A O no hydrogen 3.115 N/A CYS 241.A SG GLU 243.A O no hydrogen 3.666 N/A CYS 241.A SG THR 265.A O no hydrogen 3.894 N/A VAL 242.A N THR 265.A O no hydrogen 2.912 N/A GLY 245.A N TRP 263.A O no hydrogen 3.158 N/A ASP 247.A N PRO 261.A O no hydrogen 2.864 N/A TYR 248.A OH ASN 223.A OD1 no hydrogen 2.724 N/A ILE 250.A N ASP 247.A OD1 no hydrogen 2.879 N/A ARG 251.A N ASP 247.A O no hydrogen 3.357 N/A ARG 251.A NE ASP 258.A O no hydrogen 2.977 N/A ARG 251.A NH1 ARG 251.A O no hydrogen 3.229 N/A ARG 251.A NH2 PHE 213.A O no hydrogen 3.125 N/A ARG 251.A NH2 ASP 258.A O no hydrogen 3.539 N/A SER 252.A N GLU 249.A O no hydrogen 3.003 N/A SER 252.A OG TYR 248.A O no hydrogen 2.909 N/A MET 253.A N ILE 250.A O no hydrogen 3.167 N/A SER 257.A N GLN 17.A OE1 no hydrogen 2.905 N/A SER 257.A OG ASN 7.A O no hydrogen 2.678 N/A SER 257.A OG ASP 258.A OD1 no hydrogen 3.555 N/A HIS 259.A N SER 257.A OG no hydrogen 3.175 N/A HIS 259.A ND1 ASP 229.A OD2 no hydrogen 2.775 N/A ALA 260.A N SER 211.A O no hydrogen 2.756 N/A VAL 262.A N SER 5.A O no hydrogen 2.985 N/A TRP 263.A N GLY 245.A O no hydrogen 3.061 N/A ALA 264.A N PHE 3.A O no hydrogen 3.043 N/A THR 265.A N GLU 243.A O no hydrogen 2.801 N/A PHE 266.A N MET 1.A O no hydrogen 2.958 N/A ARG 267.A N CYS 240.A O no hydrogen 3.029 N/A