Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ak1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ASN 70.A O no hydrogen 3.290 N/A ARG 1.A NH1 ILE 76.A O no hydrogen 2.957 N/A ARG 1.A NH2 ASN 70.A O no hydrogen 3.302 N/A LYS 2.A N GLU 75.A O no hydrogen 2.794 N/A MET 4.A N THR 77.A O no hydrogen 3.008 N/A GLY 5.A N GLU 105.A O no hydrogen 2.874 N/A LEU 6.A N LYS 79.A O no hydrogen 2.729 N/A LEU 7.A N VAL 107.A O no hydrogen 2.943 N/A VAL 8.A N TYR 81.A O no hydrogen 2.851 N/A MET 9.A N ILE 109.A O no hydrogen 2.863 N/A ALA 10.A N GLY 83.A O no hydrogen 3.239 N/A TYR 15.A N ASP 19.A OD2 no hydrogen 2.973 N/A TYR 15.A OH GLU 88.A O no hydrogen 2.796 N/A LYS 16.A N ASP 19.A OD2 no hydrogen 3.143 N/A LYS 16.A NZ ASP 19.A OD1 no hydrogen 3.054 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.773 N/A ASP 19.A N LYS 16.A O no hydrogen 2.941 N/A ILE 20.A N GLU 17.A O no hydrogen 3.322 N/A ARG 22.A NE ASP 19.A OD1 no hydrogen 3.192 N/A ARG 22.A NH1 GLU 88.A OE1 no hydrogen 2.839 N/A ARG 22.A NH1 GLU 88.A OE2 no hydrogen 3.417 N/A ARG 22.A NH2 ASP 19.A OD1 no hydrogen 2.860 N/A ARG 22.A NH2 GLU 88.A OE2 no hydrogen 2.957 N/A TYR 23.A N ASP 19.A O no hydrogen 2.859 N/A TYR 23.A OH GLY 12.A O no hydrogen 2.614 N/A TYR 24.A N ILE 20.A O no hydrogen 2.881 N/A TYR 24.A OH TYR 45.A OH no hydrogen 2.924 N/A THR 25.A N GLU 21.A O no hydrogen 2.852 N/A THR 25.A OG1 GLU 21.A O no hydrogen 2.661 N/A HIS 26.A N ARG 22.A O no hydrogen 2.969 N/A ILE 27.A N TYR 23.A O no hydrogen 3.197 N/A ARG 28.A N TYR 24.A O no hydrogen 2.933 N/A ARG 28.A NE ARG 31.A O no hydrogen 2.844 N/A ARG 28.A NH2 ARG 31.A O no hydrogen 2.986 N/A ARG 29.A N HIS 26.A O no hydrogen 3.260 N/A ARG 29.A NH2 HIS 26.A O no hydrogen 2.938 N/A GLY 30.A N THR 25.A O no hydrogen 2.920 N/A ARG 31.A N ARG 28.A O no hydrogen 3.331 N/A ARG 31.A NE ARG 29.A O no hydrogen 3.046 N/A ARG 31.A NH2 ARG 29.A O no hydrogen 3.215 N/A LYS 32.A NZ GLU 21.A OE2 no hydrogen 2.639 N/A LYS 32.A NZ PRO 33.A O no hydrogen 3.439 N/A LEU 38.A N GLU 34.A O no hydrogen 2.911 N/A GLN 39.A N PRO 35.A O no hydrogen 2.973 N/A ASP 40.A N GLU 36.A O no hydrogen 3.359 N/A LEU 41.A N MET 37.A O no hydrogen 3.086 N/A LEU 41.A N LEU 38.A O no hydrogen 3.074 N/A LYS 42.A N LEU 38.A O no hydrogen 3.151 N/A ASP 43.A N GLN 39.A O no hydrogen 3.236 N/A ARG 44.A N ASP 40.A O no hydrogen 2.928 N/A TYR 45.A N LEU 41.A O no hydrogen 3.150 N/A TYR 45.A OH TYR 24.A OH no hydrogen 2.924 N/A GLU 46.A N LYS 42.A O no hydrogen 3.000 N/A ALA 47.A N ASP 43.A O no hydrogen 2.878 N/A ILE 48.A N ARG 44.A O no hydrogen 3.118 N/A GLY 49.A N GLU 46.A O no hydrogen 3.108 N/A GLY 50.A N TYR 45.A O no hydrogen 2.850 N/A LEU 54.A N ILE 51.A O no hydrogen 2.900 N/A GLU 59.A N ALA 55.A O no hydrogen 3.513 N/A GLN 60.A N GLN 56.A O no hydrogen 2.886 N/A GLN 61.A N ILE 57.A O no hydrogen 2.828 N/A ALA 62.A N THR 58.A O no hydrogen 3.042 N/A HIS 63.A N GLU 59.A O no hydrogen 3.012 N/A ASN 64.A N GLN 60.A O no hydrogen 2.865 N/A LEU 65.A N GLN 61.A O no hydrogen 2.980 N/A GLU 66.A N ALA 62.A O no hydrogen 3.036 N/A GLN 67.A N HIS 63.A O no hydrogen 3.029 N/A HIS 68.A N ASN 64.A O no hydrogen 2.830 N/A LEU 69.A N LEU 65.A O no hydrogen 2.808 N/A ASN 70.A N GLU 66.A O no hydrogen 3.125 N/A ASN 70.A ND2 PHE 78.A O no hydrogen 3.026 N/A GLU 71.A N HIS 68.A O no hydrogen 3.178 N/A ILE 72.A N HIS 68.A O no hydrogen 3.175 N/A GLN 73.A NE2 LEU 69.A O no hydrogen 2.912 N/A GLN 73.A NE2 ILE 76.A O no hydrogen 2.680 N/A GLU 75.A N GLN 73.A OE1 no hydrogen 3.053 N/A ILE 76.A N GLN 73.A OE1 no hydrogen 2.786 N/A THR 77.A N LYS 2.A O no hydrogen 2.771 N/A PHE 78.A N ASN 70.A OD1 no hydrogen 2.672 N/A LYS 79.A N MET 4.A O no hydrogen 3.066 N/A ALA 80.A N GLU 66.A OE1 no hydrogen 2.855 N/A TYR 81.A N LEU 6.A O no hydrogen 2.780 N/A TYR 81.A OH ASP 101.A OD2 no hydrogen 2.845 N/A GLY 83.A N VAL 8.A O no hydrogen 2.896 N/A LEU 84.A N PRO 89.A O no hydrogen 2.785 N/A LYS 85.A N ALA 10.A O no hydrogen 3.029 N/A HIS 86.A N TYR 11.A O no hydrogen 2.951 N/A PHE 90.A N ASP 93.A OD2 no hydrogen 2.966 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.753 N/A ALA 94.A N PHE 90.A O no hydrogen 3.124 N/A VAL 95.A N ILE 91.A O no hydrogen 3.071 N/A ALA 96.A N GLU 92.A O no hydrogen 2.938 N/A GLU 97.A N ASP 93.A O no hydrogen 2.918 N/A MET 98.A N ALA 94.A O no hydrogen 2.986 N/A HIS 99.A N VAL 95.A O no hydrogen 3.043 N/A LYS 100.A N ALA 96.A O no hydrogen 2.936 N/A ASP 101.A N GLU 97.A O no hydrogen 2.991 N/A GLY 102.A N HIS 99.A O no hydrogen 3.092 N/A ILE 103.A N MET 98.A O no hydrogen 3.041 N/A ALA 106.A N THR 138.A O no hydrogen 2.858 N/A VAL 107.A N GLY 5.A O no hydrogen 3.000 N/A SER 108.A N THR 140.A O no hydrogen 2.799 N/A SER 108.A OG SER 141.A OG no hydrogen 2.674 N/A ILE 109.A N LEU 7.A O no hydrogen 2.868 N/A LEU 111.A N MET 9.A O no hydrogen 2.884 N/A ALA 112.A N VAL 110.A O no hydrogen 2.880 N/A HIS 114.A NE2 SER 201.A OG no hydrogen 2.582 N/A PHE 115.A N GLN 197.A OE1 no hydrogen 2.731 N/A SER 116.A OG ASP 192.A OD2 no hydrogen 3.122 N/A THR 117.A N ASP 192.A OD2 no hydrogen 2.849 N/A THR 117.A OG1 ASP 192.A OD2 no hydrogen 2.773 N/A PHE 118.A N SER 116.A OG no hydrogen 3.109 N/A GLN 121.A N SER 116.A O no hydrogen 2.908 N/A TYR 123.A N SER 119.A O no hydrogen 3.054 N/A ASN 124.A N VAL 120.A O no hydrogen 2.937 N/A ASN 124.A ND2 VAL 142.A O no hydrogen 3.592 N/A LYS 125.A N GLN 121.A O no hydrogen 2.918 N/A ARG 126.A N SER 122.A O no hydrogen 3.029 N/A ARG 126.A NH2 GLU 92.A OE1 no hydrogen 2.947 N/A ALA 127.A N TYR 123.A O no hydrogen 2.919 N/A LYS 128.A N ASN 124.A O no hydrogen 2.997 N/A GLU 129.A N LYS 125.A O no hydrogen 2.875 N/A GLU 130.A N ARG 126.A O no hydrogen 3.241 N/A ALA 131.A N ALA 127.A O no hydrogen 3.163 N/A GLU 132.A N LYS 128.A O no hydrogen 2.946 N/A LYS 133.A N GLU 129.A O no hydrogen 2.925 N/A LEU 134.A N GLU 130.A O no hydrogen 2.927 N/A GLY 135.A N ALA 131.A O no hydrogen 2.607 N/A THR 138.A N THR 104.A O no hydrogen 2.956 N/A THR 140.A N ALA 106.A O no hydrogen 2.833 N/A SER 141.A OG SER 108.A OG no hydrogen 2.674 N/A VAL 142.A N SER 108.A O no hydrogen 3.027 N/A TRP 145.A N PRO 113.A O no hydrogen 2.962 N/A TRP 145.A NE1 VAL 110.A O no hydrogen 3.096 N/A TYR 146.A OH GLU 200.A OE1 no hydrogen 2.796 N/A GLU 148.A N TRP 145.A O no hydrogen 3.062 N/A LYS 150.A N GLU 148.A OE2 no hydrogen 3.034 N/A LYS 150.A NZ ASP 296.A OD1 no hydrogen 3.509 N/A LYS 150.A NZ ASP 296.A OD2 no hydrogen 2.788 N/A LYS 150.A NZ THR 300.A OG1 no hydrogen 3.006 N/A PHE 151.A N GLU 148.A O no hydrogen 2.840 N/A VAL 152.A N GLU 148.A O no hydrogen 3.000 N/A THR 153.A N PRO 149.A O no hydrogen 2.965 N/A THR 153.A OG1 PRO 149.A O no hydrogen 2.964 N/A TYR 154.A OH GLU 286.A O no hydrogen 2.892 N/A VAL 156.A N VAL 152.A O no hydrogen 2.848 N/A ASP 157.A N THR 153.A O no hydrogen 2.848 N/A ARG 158.A N TYR 154.A O no hydrogen 3.150 N/A ARG 158.A NH1 GLU 293.A OE1 no hydrogen 3.166 N/A ARG 158.A NH2 GLU 161.A OE2 no hydrogen 2.994 N/A VAL 159.A N TRP 155.A O no hydrogen 2.954 N/A LYS 160.A N VAL 156.A O no hydrogen 2.988 N/A GLU 161.A N ASP 157.A O no hydrogen 3.032 N/A THR 162.A N ARG 158.A O no hydrogen 3.138 N/A THR 162.A OG1 ARG 158.A O no hydrogen 2.871 N/A TYR 163.A N VAL 159.A O no hydrogen 2.948 N/A ALA 164.A N LYS 160.A O no hydrogen 2.877 N/A SER 165.A N GLU 161.A O no hydrogen 2.868 N/A SER 165.A OG GLU 161.A O no hydrogen 3.465 N/A SER 165.A OG THR 162.A O no hydrogen 2.679 N/A MET 166.A N THR 162.A O no hydrogen 3.276 N/A ARG 171.A N PRO 167.A O no hydrogen 2.783 N/A ARG 171.A NE TYR 163.A O no hydrogen 3.079 N/A ARG 171.A NH2 ALA 164.A O no hydrogen 2.836 N/A GLU 172.A N ASP 169.A O no hydrogen 3.260 N/A ASN 173.A N GLU 170.A O no hydrogen 2.961 N/A MET 175.A N ALA 248.A O no hydrogen 2.842 N/A LEU 176.A N GLU 213.A O no hydrogen 3.495 N/A ILE 177.A N VAL 250.A O no hydrogen 2.817 N/A VAL 178.A N ALA 215.A O no hydrogen 2.803 N/A SER 179.A N VAL 252.A O no hydrogen 2.934 N/A HIS 181.A ND1 SER 182.A O no hydrogen 2.752 N/A SER 182.A N GLN 219.A O no hydrogen 2.823 N/A SER 182.A OG LEU 229.A O no hydrogen 2.789 N/A GLU 185.A N PRO 227.A O no hydrogen 2.925 N/A ILE 187.A N PRO 184.A O no hydrogen 3.354 N/A LYS 188.A N GLU 185.A O no hydrogen 3.221 N/A GLU 189.A N LYS 186.A O no hydrogen 2.900 N/A PHE 190.A N ILE 187.A O no hydrogen 2.973 N/A GLY 191.A N LYS 188.A O no hydrogen 3.055 N/A ASP 192.A N ILE 187.A O no hydrogen 3.313 N/A TYR 194.A N ASP 192.A OD1 no hydrogen 3.096 N/A TYR 194.A OH HIS 181.A O no hydrogen 2.573 N/A GLN 197.A N PRO 193.A O no hydrogen 2.839 N/A LEU 198.A N TYR 194.A O no hydrogen 3.076 N/A HIS 199.A N PRO 195.A O no hydrogen 3.086 N/A GLU 200.A N ASP 196.A O no hydrogen 2.906 N/A SER 201.A N GLN 197.A O no hydrogen 2.909 N/A SER 201.A OG HIS 114.A NE2 no hydrogen 2.582 N/A SER 201.A OG GLN 197.A O no hydrogen 2.992 N/A ALA 202.A N LEU 198.A O no hydrogen 2.961 N/A LYS 203.A N HIS 199.A O no hydrogen 3.011 N/A LEU 204.A N GLU 200.A O no hydrogen 2.910 N/A ILE 205.A N SER 201.A O no hydrogen 2.967 N/A ALA 206.A N ALA 202.A O no hydrogen 2.964 N/A GLU 207.A N LYS 203.A O no hydrogen 3.033 N/A GLY 208.A N LEU 204.A O no hydrogen 3.232 N/A ALA 209.A N ILE 205.A O no hydrogen 2.970 N/A GLY 210.A N GLU 207.A O no hydrogen 3.222 N/A VAL 211.A N ALA 206.A O no hydrogen 2.759 N/A ALA 215.A N LEU 176.A O no hydrogen 2.626 N/A GLY 217.A N VAL 178.A O no hydrogen 3.096 N/A TRP 218.A N PRO 231.A O no hydrogen 2.795 N/A GLN 219.A N ALA 180.A O no hydrogen 3.153 N/A GLN 219.A NE2 ASN 267.A OD1 no hydrogen 3.093 N/A SER 220.A OG ASP 266.A OD2 no hydrogen 2.826 N/A THR 224.A N GLY 222.A O no hydrogen 2.967 N/A LEU 229.A N LEU 183.A O no hydrogen 2.766 N/A VAL 233.A N TRP 218.A O no hydrogen 2.803 N/A GLN 234.A N ASP 232.A OD1 no hydrogen 2.787 N/A LEU 236.A N ASP 232.A O no hydrogen 2.810 N/A THR 237.A N VAL 233.A O no hydrogen 3.002 N/A THR 237.A OG1 VAL 233.A O no hydrogen 2.750 N/A THR 237.A OG1 TYR 251.A OH no hydrogen 2.719 N/A ARG 238.A N GLN 234.A O no hydrogen 3.418 N/A ARG 238.A NH1 ASP 277.A OD2 no hydrogen 2.995 N/A ARG 238.A NH2 ASP 277.A OD2 no hydrogen 3.392 N/A ASP 239.A N ASP 235.A O no hydrogen 3.035 N/A LEU 240.A N LEU 236.A O no hydrogen 2.933 N/A PHE 241.A N THR 237.A O no hydrogen 3.062 N/A GLU 242.A N ARG 238.A O no hydrogen 2.915 N/A GLN 243.A N ASP 239.A O no hydrogen 3.138 N/A GLN 243.A N LEU 240.A O no hydrogen 3.297 N/A GLN 243.A NE2 ASP 239.A OD1 no hydrogen 2.881 N/A LYS 244.A N LEU 240.A O no hydrogen 2.965 N/A GLY 245.A N PHE 241.A O no hydrogen 2.659 N/A GLN 247.A N ASN 173.A O no hydrogen 2.774 N/A ALA 248.A N ASN 173.A O no hydrogen 3.143 N/A PHE 249.A N SER 281.A O no hydrogen 2.956 N/A VAL 250.A N MET 175.A O no hydrogen 2.917 N/A TYR 251.A N TYR 283.A O no hydrogen 2.804 N/A TYR 251.A OH THR 237.A OG1 no hydrogen 2.719 N/A VAL 252.A N ILE 177.A O no hydrogen 2.890 N/A GLY 255.A N SER 179.A O no hydrogen 3.115 N/A PHE 256.A N PRO 253.A O no hydrogen 2.895 N/A ASP 259.A N ASN 289.A OD1 no hydrogen 3.007 N/A HIS 260.A N ALA 258.A O no hydrogen 2.882 N/A VAL 263.A N HIS 260.A O no hydrogen 3.006 N/A LEU 264.A N HIS 260.A O no hydrogen 2.868 N/A TYR 265.A N LEU 261.A O no hydrogen 2.791 N/A ASP 266.A N LEU 261.A O no hydrogen 3.449 N/A ASN 267.A N VAL 263.A O no hydrogen 3.139 N/A ASN 267.A ND2 GLN 219.A OE1 no hydrogen 3.019 N/A ASP 268.A N VAL 263.A O no hydrogen 3.046 N/A TYR 269.A N TYR 265.A O no hydrogen 2.879 N/A GLU 270.A N TYR 265.A O no hydrogen 2.942 N/A CYS 271.A N ASN 267.A O no hydrogen 3.006 N/A CYS 271.A SG ASP 266.A O no hydrogen 3.511 N/A CYS 271.A SG ASN 267.A OD1 no hydrogen 3.990 N/A LYS 272.A N ASN 267.A O no hydrogen 3.333 N/A LYS 272.A NZ ASP 276.A OD1 no hydrogen 3.473 N/A VAL 273.A N TYR 269.A O no hydrogen 2.872 N/A VAL 274.A N GLU 270.A O no hydrogen 3.471 N/A THR 275.A N CYS 271.A O no hydrogen 2.965 N/A THR 275.A OG1 CYS 271.A O no hydrogen 3.175 N/A THR 275.A OG1 LYS 272.A O no hydrogen 2.930 N/A ASP 276.A N LYS 272.A O no hydrogen 2.741 N/A ASP 277.A N VAL 273.A O no hydrogen 2.905 N/A ILE 278.A N VAL 274.A O no hydrogen 2.966 N/A GLY 279.A N ASP 276.A O no hydrogen 3.323 N/A ALA 280.A N THR 275.A O no hydrogen 2.806 N/A SER 281.A N GLN 247.A O no hydrogen 2.921 N/A SER 281.A OG GLU 170.A OE1 no hydrogen 3.335 N/A SER 281.A OG GLU 170.A OE2 no hydrogen 2.880 N/A TYR 282.A OH ASP 268.A OD1 no hydrogen 2.730 N/A TYR 283.A N PHE 249.A O no hydrogen 2.952 N/A TYR 283.A OH GLU 170.A OE1 no hydrogen 2.771 N/A ARG 284.A NE ASP 268.A OD1 no hydrogen 3.000 N/A ARG 284.A NH1 PRO 285.A O no hydrogen 2.665 N/A ARG 284.A NH2 ASP 268.A OD2 no hydrogen 2.818 N/A ASN 289.A N VAL 257.A O no hydrogen 2.860 N/A ASN 289.A ND2 ASP 259.A OD2 no hydrogen 3.476 N/A LYS 291.A N PRO 288.A O no hydrogen 2.941 N/A LYS 291.A NZ MET 287.A O no hydrogen 2.783 N/A ILE 295.A N LYS 291.A O no hydrogen 3.038 N/A ASP 296.A N PRO 292.A O no hydrogen 2.929 N/A ALA 297.A N GLU 293.A O no hydrogen 3.208 N/A LEU 298.A N PHE 294.A O no hydrogen 3.031 N/A ALA 299.A N ILE 295.A O no hydrogen 2.985 N/A THR 300.A N ASP 296.A O no hydrogen 3.070 N/A THR 300.A OG1 ASP 296.A O no hydrogen 2.888 N/A VAL 301.A N ALA 297.A O no hydrogen 3.104 N/A VAL 302.A N LEU 298.A O no hydrogen 3.072 N/A LEU 303.A N ALA 299.A O no hydrogen 2.854 N/A LYS 304.A N THR 300.A O no hydrogen 2.854 N/A LYS 305.A N VAL 301.A O no hydrogen 3.118 N/A LEU 306.A N VAL 302.A O no hydrogen 3.251 N/A GLY 307.A N LYS 304.A O no hydrogen 2.829 N/A ARG 308.A N LEU 303.A O no hydrogen 2.827 N/A