Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aik_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ASP 185.A OD2 no hydrogen 3.129 N/A SER 4.A OG.A GLU 50.A OE1 no hydrogen 2.625 N/A LYS 5.A N ALA 2.A O no hydrogen 3.118 N/A LYS 5.A NZ TYR 44.A OH no hydrogen 3.306 N/A VAL 7.A N MET 41.A O no hydrogen 2.872 N/A ILE 9.A N PHE 39.A O no hydrogen 2.742 N/A GLY 12.A N ILE 36.A O no hydrogen 3.015 N/A PHE 14.A N VAL 34.A O no hydrogen 2.913 N/A MET 16.A N ARG 32.A O no hydrogen 2.885 N/A GLY 17.A N GLU 135.A OE2 no hydrogen 2.888 N/A THR 18.A N GLU 28.A O no hydrogen 2.853 N/A ASP 20.A N THR 18.A OG1 no hydrogen 2.870 N/A GLN 22.A N GLU 28.A OE1 no hydrogen 2.913 N/A GLN 22.A NE2 ASP 20.A O no hydrogen 3.059 N/A ILE 23.A N GLU 28.A OE1 no hydrogen 3.226 N/A ASP 26.A N ILE 23.A O no hydrogen 3.140 N/A GLY 27.A N LYS 24.A O no hydrogen 3.111 N/A ALA 31.A N ASP 19.A OD1 no hydrogen 2.959 N/A ARG 32.A N MET 16.A O no hydrogen 2.941 N/A ARG 32.A NH1 PRO 30.A O no hydrogen 2.976 N/A ARG 33.A NH1 THR 15.A OG1 no hydrogen 2.884 N/A VAL 34.A N PHE 14.A O no hydrogen 2.782 N/A THR 35.A N THR 218.A O no hydrogen 2.828 N/A ILE 36.A N GLY 12.A O no hydrogen 2.844 N/A ASP 37.A N ASN 220.A OD1 no hydrogen 2.998 N/A PHE 39.A N ILE 9.A O no hydrogen 3.148 N/A TYR 40.A N ALA 270.A O no hydrogen 2.862 N/A MET 41.A N VAL 7.A O no hydrogen 2.939 N/A ASP 42.A N CYS 268.A O no hydrogen 2.838 N/A ALA 43.A N LYS 5.A O no hydrogen 3.004 N/A VAL 46.A N PHE 266.A O no hydrogen 2.909 N/A ASN 48.A N HIS 107.A O no hydrogen 2.878 N/A ASN 48.A ND2 ARG 104.A O no hydrogen 2.924 N/A THR 49.A N PRO 105.A O no hydrogen 2.933 N/A THR 49.A OG1 PRO 105.A O no hydrogen 3.101 N/A GLU 50.A N SER 47.A OG no hydrogen 3.155 N/A PHE 51.A N SER 47.A O no hydrogen 2.876 N/A GLU 52.A N ASN 48.A O no hydrogen 2.817 N/A LYS 53.A N THR 49.A O no hydrogen 3.065 N/A LYS 53.A NZ GLU 50.A OE2 no hydrogen 2.828 N/A PHE 54.A N GLU 50.A O no hydrogen 3.314 N/A VAL 55.A N PHE 51.A O no hydrogen 2.913 N/A ASN 56.A N GLU 52.A O no hydrogen 2.753 N/A SER 57.A N LYS 53.A O no hydrogen 2.966 N/A THR 58.A N PHE 54.A O no hydrogen 2.905 N/A THR 58.A OG1 PHE 54.A O no hydrogen 2.766 N/A GLY 59.A N VAL 55.A O no hydrogen 2.763 N/A TYR 60.A N THR 58.A OG1 no hydrogen 3.072 N/A TYR 60.A OH ASP 116.A OD1 no hydrogen 2.553 N/A THR 62.A N GLU 65.A OE1 no hydrogen 2.953 N/A THR 62.A OG1 GLU 65.A OE1 no hydrogen 2.588 N/A GLU 63.A N ASP 116.A OD1 no hydrogen 3.073 N/A LYS 66.A N THR 62.A O no hydrogen 3.118 N/A PHE 67.A N GLU 63.A O no hydrogen 2.725 N/A GLY 68.A N ALA 64.A O no hydrogen 2.845 N/A SER 70.A N VAL 86.A O no hydrogen 3.261 N/A SER 70.A OG HIS 111.A ND1 no hydrogen 2.656 N/A SER 70.A OG SER 260.A OG no hydrogen 2.692 N/A VAL 72.A N LEU 84.A O no hydrogen 2.831 N/A PHE 73.A N SER 262.A OG no hydrogen 3.186 N/A GLU 74.A N TRP 82.A O no hydrogen 2.733 N/A MET 76.A N PHE 73.A O no hydrogen 3.162 N/A LEU 77.A N GLU 74.A O no hydrogen 3.145 N/A TRP 83.A N ALA 80.A O no hydrogen 2.935 N/A LEU 84.A N VAL 72.A O no hydrogen 3.010 N/A VAL 86.A N SER 70.A O no hydrogen 2.833 N/A LYS 87.A NZ.B ASP 69.A OD2 no hydrogen 3.256 N/A GLY 88.A N GLY 68.A O no hydrogen 2.834 N/A ALA 89.A N VAL 86.A O no hydrogen 3.181 N/A ASN 90.A N HIS 93.A O no hydrogen 3.151 N/A ARG 92.A N ASN 90.A OD1 no hydrogen 3.092 N/A ARG 92.A NH1 GLU 52.A OE2 no hydrogen 3.221 N/A HIS 93.A N ASN 90.A O no hydrogen 2.905 N/A HIS 93.A ND1 SER 99.A O no hydrogen 2.860 N/A GLU 95.A N SER 99.A OG no hydrogen 2.961 N/A GLY 96.A N HIS 93.A O no hydrogen 3.005 N/A SER 99.A N GLY 96.A O no hydrogen 2.960 N/A SER 99.A OG GLY 96.A O no hydrogen 2.634 N/A LEU 102.A N THR 100.A OG1 no hydrogen 3.067 N/A ARG 104.A N ILE 101.A O no hydrogen 2.925 N/A ARG 104.A NE THR 100.A O no hydrogen 2.932 N/A ARG 104.A NH1 GLU 95.A OE2 no hydrogen 3.020 N/A ARG 104.A NH2 GLU 95.A OE1 no hydrogen 2.820 N/A ARG 104.A NH2 GLU 95.A OE2 no hydrogen 3.438 N/A ARG 104.A NH2 THR 100.A O no hydrogen 2.942 N/A HIS 107.A N ARG 104.A O no hydrogen 3.245 N/A HIS 107.A ND1 THR 181.A OG1 no hydrogen 2.806 N/A VAL 109.A N VAL 46.A O no hydrogen 2.827 N/A HIS 111.A N ALA 261.A O no hydrogen 3.104 N/A HIS 111.A ND1 SER 70.A OG no hydrogen 2.656 N/A HIS 111.A NE2 PRO 94.A O no hydrogen 2.708 N/A SER 113.A N ASP 116.A OD2 no hydrogen 2.765 N/A SER 113.A OG GLU 63.A OE2 no hydrogen 2.610 N/A TRP 114.A N PRO 257.A O no hydrogen 2.982 N/A TRP 114.A NE1 THR 205.A O no hydrogen 2.871 N/A ASN 115.A ND2 GLU 63.A OE2 no hydrogen 2.900 N/A ASP 116.A N SER 113.A OG no hydrogen 3.025 N/A ALA 117.A N SER 113.A O no hydrogen 2.895 N/A VAL 118.A N TRP 114.A O no hydrogen 2.946 N/A ALA 119.A N ASN 115.A O no hydrogen 2.947 N/A TYR 120.A N ASP 116.A O no hydrogen 2.961 N/A CYS 121.A N ALA 117.A O no hydrogen 2.867 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.436 N/A CYS 121.A SG ARG 127.A O no hydrogen 3.721 N/A THR 122.A N VAL 118.A O no hydrogen 2.929 N/A THR 122.A OG1.A VAL 118.A O no hydrogen 2.749 N/A THR 122.A OG1.A ALA 119.A O no hydrogen 3.025 N/A THR 122.A OG1.B VAL 118.A O no hydrogen 2.642 N/A TRP 123.A N ALA 119.A O no hydrogen 2.922 N/A TRP 123.A NE1 SER 57.A OG no hydrogen 3.110 N/A ALA 124.A N TYR 120.A O no hydrogen 2.938 N/A GLY 125.A N THR 122.A O no hydrogen 2.981 N/A LYS 126.A N CYS 121.A O no hydrogen 2.752 N/A LYS 126.A NZ SER 4.A O no hydrogen 3.063 N/A LYS 126.A NZ ASP 42.A OD1 no hydrogen 2.871 N/A ARG 127.A N ALA 269.A O no hydrogen 2.796 N/A ARG 127.A NE ASP 271.A OD1.A no hydrogen 3.057 N/A ARG 127.A NE ASP 271.A OD2.B no hydrogen 3.157 N/A ARG 127.A NH1 LEU 128.A O no hydrogen 3.179 N/A ARG 127.A NH1 GLU 133.A OE1 no hydrogen 2.800 N/A ARG 127.A NH2 GLU 133.A OE2 no hydrogen 2.996 N/A ARG 127.A NH2 ASP 271.A OD1.A no hydrogen 2.842 N/A ARG 127.A NH2 ASP 271.A OD1.B no hydrogen 3.151 N/A THR 130.A N GLU 133.A OE1 no hydrogen 2.997 N/A GLU 131.A N ASP 207.A OD1 no hydrogen 2.867 N/A GLU 133.A N THR 130.A OG1 no hydrogen 2.872 N/A TRP 134.A N THR 130.A O no hydrogen 2.815 N/A TRP 134.A NE1 GLU 203.A OE1 no hydrogen 2.870 N/A GLU 135.A N GLU 131.A O no hydrogen 2.779 N/A TYR 136.A N ALA 132.A O no hydrogen 2.950 N/A TYR 136.A OH PRO 10.A O no hydrogen 2.609 N/A SER 137.A N GLU 133.A O no hydrogen 2.973 N/A SER 137.A OG GLU 133.A O no hydrogen 2.804 N/A CYS 138.A N TRP 134.A O no hydrogen 2.815 N/A ARG 139.A N GLU 135.A O no hydrogen 2.967 N/A ARG 139.A NE GLU 135.A OE2 no hydrogen 3.154 N/A ARG 139.A NH1 ARG 145.A O no hydrogen 3.110 N/A ARG 139.A NH2 GLU 135.A OE2 no hydrogen 3.073 N/A GLY 140.A N SER 137.A O no hydrogen 3.046 N/A LEU 142.A N ARG 139.A O no hydrogen 3.093 N/A ARG 145.A NH1 HIS 143.A O no hydrogen 2.870 N/A LEU 146.A N ASN 151.A OD1 no hydrogen 2.844 N/A PHE 147.A N GLY 150.A O no hydrogen 2.898 N/A TRP 149.A NE1 LYS 152.A O no hydrogen 2.762 N/A GLY 150.A N PHE 147.A O no hydrogen 3.136 N/A LYS 156.A NZ.B GLN 158.A OE1 no hydrogen 3.014 N/A LYS 156.A NZ.B TYR 160.A OH no hydrogen 2.654 N/A GLY 157.A N GLN 154.A O no hydrogen 3.025 N/A GLN 158.A N PRO 155.A O no hydrogen 3.004 N/A HIS 159.A NE2 GLU 175.A OE2 no hydrogen 2.843 N/A ASN 162.A ND2 GLY 180.A O no hydrogen 2.834 N/A ASN 162.A ND2 ASN 200.A OD1 no hydrogen 2.993 N/A ILE 163.A N ASP 176.A OD2 no hydrogen 3.107 N/A TRP 164.A N SER 239.A O no hydrogen 2.901 N/A GLN 165.A NE2 ASP 176.A OD2 no hydrogen 2.920 N/A THR 171.A N GLU 167.A O no hydrogen 2.873 N/A THR 173.A N GLN 165.A O no hydrogen 2.795 N/A THR 173.A OG1 GLN 165.A O no hydrogen 3.512 N/A GLY 174.A N ASN 172.A OD1 no hydrogen 3.142 N/A GLU 175.A N THR 173.A OG1 no hydrogen 3.277 N/A ASP 176.A N GLN 165.A OE1 no hydrogen 2.962 N/A GLY 177.A N GLY 174.A O no hydrogen 2.949 N/A PHE 178.A N ASP 176.A OD1 no hydrogen 3.048 N/A GLN 179.A NE2 ASN 172.A O no hydrogen 3.033 N/A THR 181.A OG1 HIS 107.A ND1 no hydrogen 2.806 N/A ALA 182.A N ASN 200.A OD1 no hydrogen 2.694 N/A VAL 184.A N ASP 106.A O no hydrogen 2.796 N/A ALA 186.A N PRO 183.A O no hydrogen 3.023 N/A ASN 190.A N LEU 194.A O no hydrogen 2.864 N/A ASN 190.A ND2 SER 137.A O no hydrogen 2.901 N/A ASN 190.A ND2 CYS 138.A O no hydrogen 3.045 N/A TYR 192.A N ASN 190.A OD1 no hydrogen 2.989 N/A GLY 193.A N ASN 190.A O no hydrogen 2.951 N/A LEU 194.A N ASN 190.A OD1 no hydrogen 3.092 N/A TYR 195.A N ALA 43.A O no hydrogen 2.858 N/A ASN 196.A ND2 VAL 184.A O no hydrogen 2.946 N/A ASN 196.A ND2 ALA 186.A O no hydrogen 2.934 N/A GLY 199.A N GLY 234.A O no hydrogen 2.819 N/A ASN 200.A N ASN 162.A O no hydrogen 2.897 N/A ASN 200.A ND2 GLU 45.A OE1 no hydrogen 2.790 N/A ASN 200.A ND2 ALA 182.A O no hydrogen 3.023 N/A ALA 201.A N GLU 45.A OE2 no hydrogen 2.994 N/A TRP 202.A N ASN 263.A O no hydrogen 2.832 N/A GLU 203.A N LYS 233.A O no hydrogen 2.937 N/A TRP 204.A N GLY 265.A O no hydrogen 3.178 N/A TRP 204.A NE1 VAL 112.A O no hydrogen 3.038 N/A THR 205.A N VAL 231.A O no hydrogen 2.876 N/A THR 205.A OG1 VAL 231.A O no hydrogen 2.916 N/A SER 206.A N PRO 129.A O no hydrogen 2.848 N/A SER 206.A OG PRO 129.A O no hydrogen 3.306 N/A SER 206.A OG ASP 207.A OD1 no hydrogen 3.563 N/A TRP 209.A N ASP 229.A O no hydrogen 2.745 N/A HIS 212.A N THR 210.A OG1 no hydrogen 3.111 N/A SER 214.A OG.B GLU 216.A OE1 no hydrogen 3.017 N/A GLU 216.A N SER 214.A OG.B no hydrogen 2.837 N/A THR 218.A N ARG 33.A O no hydrogen 3.307 N/A ASN 220.A N THR 35.A O no hydrogen 2.890 N/A ASN 220.A ND2 ASP 37.A OD2 no hydrogen 2.774 N/A LYS 228.A NZ ASP 229.A OD1.B no hydrogen 3.400 N/A LYS 228.A NZ ASP 229.A OD2.A no hydrogen 3.194 N/A ARG 230.A N ASN 255.A O no hydrogen 2.868 N/A VAL 231.A N ASP 207.A O no hydrogen 2.917 N/A LYS 232.A N SER 253.A O no hydrogen 2.898 N/A LYS 232.A NZ.A SER 253.A OG no hydrogen 2.999 N/A LYS 232.A NZ.A GLN 254.A O no hydrogen 2.908 N/A LYS 232.A NZ.A ASN 255.A OD1 no hydrogen 2.910 N/A LYS 232.A NZ.B ASN 255.A OD1 no hydrogen 2.779 N/A LYS 233.A N GLU 203.A O no hydrogen 2.850 N/A LYS 233.A NZ GLU 131.A OE2 no hydrogen 2.863 N/A LYS 233.A NZ GLU 135.A OE1 no hydrogen 2.923 N/A LYS 233.A NZ CYS 249.A O no hydrogen 3.204 N/A LYS 233.A NZ ALA 251.A O no hydrogen 2.729 N/A SER 236.A N SER 239.A OG no hydrogen 2.914 N/A TYR 237.A N ASN 200.A O no hydrogen 2.787 N/A TYR 237.A OH SER 262.A O no hydrogen 3.417 N/A MET 238.A N SER 236.A OG no hydrogen 2.992 N/A SER 239.A N SER 236.A O no hydrogen 2.917 N/A SER 239.A OG SER 236.A O no hydrogen 3.317 N/A HIS 240.A N CYS 244.A O no hydrogen 3.246 N/A HIS 240.A ND1 SER 242.A OG no hydrogen 2.851 N/A ARG 241.A NH1 ARG 241.A O no hydrogen 3.123 N/A SER 242.A N HIS 240.A ND1 no hydrogen 3.055 N/A SER 242.A OG HIS 240.A ND1 no hydrogen 2.851 N/A TYR 243.A N HIS 240.A O no hydrogen 3.193 N/A CYS 244.A N HIS 240.A O no hydrogen 3.218 N/A ARG 246.A NE ASP 26.A OD2 no hydrogen 2.817 N/A ARG 246.A NH2 ASP 26.A OD2 no hydrogen 2.855 N/A ARG 248.A NE TYR 245.A O no hydrogen 3.030 N/A ARG 248.A NH1 GLU 28.A OE1 no hydrogen 3.048 N/A ARG 248.A NH1 GLU 28.A OE2 no hydrogen 3.342 N/A ARG 248.A NH2 GLU 28.A OE2 no hydrogen 2.728 N/A ARG 248.A NH2 TYR 245.A O no hydrogen 2.803 N/A CYS 249.A N LEU 146.A O no hydrogen 3.234 N/A ALA 251.A N ARG 248.A O no hydrogen 3.094 N/A ARG 252.A NE GLU 131.A OE2 no hydrogen 2.818 N/A ARG 252.A NH1 ASP 26.A O no hydrogen 2.867 N/A ARG 252.A NH1 THR 210.A O no hydrogen 2.914 N/A ARG 252.A NH2 GLU 131.A OE1 no hydrogen 2.882 N/A ARG 252.A NH2 THR 210.A O no hydrogen 3.251 N/A SER 253.A N LYS 232.A O no hydrogen 3.095 N/A SER 253.A OG GLN 254.A OE1.A no hydrogen 3.216 N/A GLN 254.A N SER 253.A OG no hydrogen 2.796 N/A ASN 255.A N ARG 230.A O no hydrogen 3.193 N/A THR 256.A OG1 ASP 258.A OD1 no hydrogen 3.146 N/A THR 256.A OG1 SER 259.A OG no hydrogen 2.793 N/A SER 259.A N THR 256.A O no hydrogen 2.855 N/A SER 259.A OG THR 256.A O no hydrogen 3.007 N/A SER 259.A OG THR 256.A OG1 no hydrogen 2.793 N/A SER 260.A OG SER 70.A OG no hydrogen 2.692 N/A SER 262.A N PHE 71.A O no hydrogen 2.992 N/A LEU 264.A N ALA 261.A O no hydrogen 3.338 N/A GLY 265.A N TRP 202.A O no hydrogen 2.808 N/A ARG 267.A NE GLU 203.A OE1 no hydrogen 2.737 N/A ARG 267.A NH1 ASP 42.A O no hydrogen 3.122 N/A ARG 267.A NH1 ALA 43.A O no hydrogen 2.941 N/A ARG 267.A NH1 TYR 195.A O no hydrogen 3.403 N/A ARG 267.A NH2 TYR 195.A O no hydrogen 2.841 N/A ARG 267.A NH2 GLU 203.A OE1 no hydrogen 3.449 N/A ARG 267.A NH2 GLU 203.A OE2 no hydrogen 2.895 N/A CYS 268.A N ASP 42.A OD2 no hydrogen 2.900 N/A ALA 269.A N ARG 127.A O no hydrogen 2.724 N/A ALA 270.A N TYR 40.A O no hydrogen 2.908 N/A