Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aka_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N MET 1.A O no hydrogen 3.206 N/A LEU 7.A N ASP 3.A O no hydrogen 3.089 N/A VAL 8.A N LEU 4.A O no hydrogen 3.102 N/A ASN 9.A N ILE 5.A O no hydrogen 2.780 N/A ASN 9.A ND2 GLN 12.A OE1 no hydrogen 3.528 N/A ASN 9.A ND2 THR 128.A OG1 no hydrogen 2.651 N/A ARG 10.A N PRO 6.A O no hydrogen 3.157 N/A LEU 11.A N LEU 7.A O no hydrogen 3.256 N/A GLN 12.A N VAL 8.A O no hydrogen 2.798 N/A ASP 13.A N ASN 9.A O no hydrogen 2.965 N/A ALA 14.A N ARG 10.A O no hydrogen 2.934 N/A PHE 15.A N LEU 11.A O no hydrogen 2.909 N/A SER 16.A N ASP 13.A O no hydrogen 3.284 N/A SER 16.A OG ASP 13.A O no hydrogen 2.525 N/A ILE 18.A N PHE 15.A O no hydrogen 2.929 N/A ASN 21.A ND2 GLN 298.A O no hydrogen 2.832 N/A ASP 23.A N ASN 21.A OD1 no hydrogen 2.778 N/A LEU 24.A N ASN 21.A O no hydrogen 3.094 N/A GLN 28.A N ASN 163.A O no hydrogen 3.322 N/A ALA 30.A N LEU 165.A O no hydrogen 2.809 N/A VAL 31.A N VAL 130.A O no hydrogen 2.900 N/A VAL 32.A N LEU 167.A O no hydrogen 2.930 N/A GLN 35.A N MET 135.A O no hydrogen 2.781 N/A ALA 37.A N GLY 34.A O no hydrogen 2.915 N/A LYS 39.A NZ ASP 131.A OD1 no hydrogen 2.723 N/A LYS 39.A NZ ASP 131.A OD2 no hydrogen 3.423 N/A LYS 39.A NZ LEU 132.A O no hydrogen 2.761 N/A SER 41.A OG GLY 38.A O no hydrogen 2.712 N/A VAL 42.A N GLY 38.A O no hydrogen 3.377 N/A LEU 43.A N LYS 39.A O no hydrogen 3.345 N/A GLU 44.A N SER 40.A O no hydrogen 2.842 N/A ASN 45.A N SER 41.A O no hydrogen 2.900 N/A ASN 45.A ND2 ASN 231.A OD1 no hydrogen 2.869 N/A PHE 46.A N VAL 42.A O no hydrogen 3.238 N/A PHE 46.A N LEU 43.A O no hydrogen 3.086 N/A VAL 47.A N LEU 43.A O no hydrogen 3.170 N/A GLY 48.A N GLU 44.A O no hydrogen 2.623 N/A ARG 49.A NE GLU 74.A OE2 no hydrogen 2.596 N/A ARG 49.A NH2 GLU 74.A OE1 no hydrogen 2.724 N/A ARG 49.A NH2 GLU 74.A OE2 no hydrogen 3.193 N/A PHE 51.A N GLU 44.A OE2 no hydrogen 2.889 N/A LEU 52.A N GLU 44.A OE2 no hydrogen 2.977 N/A ARG 54.A NH2 GLU 44.A OE1 no hydrogen 3.272 N/A THR 60.A OG1 ASP 131.A OD2 no hydrogen 2.574 N/A ARG 61.A NH1 THR 104.A OG1 no hydrogen 2.850 N/A ARG 61.A NH1 GLY 109.A O no hydrogen 2.862 N/A ARG 61.A NH2 THR 104.A OG1 no hydrogen 3.403 N/A ARG 62.A NE VAL 113.A O no hydrogen 2.695 N/A ARG 62.A NH1 GLU 99.A OE1 no hydrogen 3.006 N/A ARG 62.A NH2 VAL 113.A O no hydrogen 3.178 N/A ARG 62.A NH2 PRO 114.A O no hydrogen 3.054 N/A LEU 64.A N ASP 131.A O no hydrogen 2.889 N/A VAL 65.A N ILE 115.A O no hydrogen 2.886 N/A LEU 66.A N LEU 129.A O no hydrogen 2.813 N/A GLN 67.A N LEU 117.A O no hydrogen 2.859 N/A GLN 67.A NE2 ASN 9.A O no hydrogen 3.170 N/A GLN 67.A NE2 GLN 12.A OE1 no hydrogen 3.155 N/A GLN 67.A NE2 ASP 13.A OD1 no hydrogen 3.500 N/A LEU 68.A N LEU 127.A O no hydrogen 2.711 N/A VAL 69.A N VAL 119.A O no hydrogen 2.801 N/A ASN 70.A N ASN 126.A OD1 no hydrogen 2.967 N/A SER 71.A N SER 121.A O no hydrogen 2.912 N/A SER 71.A OG THR 73.A O no hydrogen 3.103 N/A THR 73.A N SER 71.A OG no hydrogen 3.000 N/A TYR 75.A N TYR 120.A O no hydrogen 2.985 N/A ALA 76.A N PHE 86.A O no hydrogen 2.807 N/A GLU 77.A N ARG 118.A O no hydrogen 2.946 N/A LEU 79.A N ASN 116.A O no hydrogen 2.982 N/A HIS 80.A NE2 GLU 95.A OE2 no hydrogen 2.665 N/A CYS 81.A N PHE 78.A O no hydrogen 3.037 N/A CYS 81.A SG.A GLU 95.A OE2 no hydrogen 3.698 N/A LYS 84.A N CYS 81.A O no hydrogen 3.065 N/A LYS 85.A NZ GLY 83.A O no hydrogen 3.248 N/A PHE 86.A N ALA 76.A O no hydrogen 2.704 N/A GLU 90.A N ASP 88.A OD1 no hydrogen 2.876 N/A GLU 91.A N ASP 88.A O no hydrogen 2.951 N/A VAL 92.A N ASP 88.A O no hydrogen 3.314 N/A ARG 93.A N PHE 89.A O no hydrogen 3.028 N/A ARG 93.A NE.A LEU 52.A O no hydrogen 2.961 N/A ARG 93.A NH1.A GLU 90.A OE2 no hydrogen 3.412 N/A ARG 93.A NH2.A GLU 90.A OE1 no hydrogen 2.423 N/A LEU 94.A N GLU 90.A O no hydrogen 3.052 N/A GLU 95.A N GLU 91.A O no hydrogen 2.884 N/A ILE 96.A N VAL 92.A O no hydrogen 3.003 N/A GLU 97.A N ARG 93.A O no hydrogen 3.050 N/A ALA 98.A N LEU 94.A O no hydrogen 2.889 N/A GLU 99.A N GLU 95.A O no hydrogen 2.897 N/A THR 100.A N ILE 96.A O no hydrogen 3.036 N/A THR 100.A OG1 ILE 96.A O no hydrogen 2.704 N/A ASP 101.A N GLU 97.A O no hydrogen 3.039 N/A ARG 102.A N ALA 98.A O no hydrogen 2.821 N/A ARG 102.A NE GLU 99.A OE1 no hydrogen 3.277 N/A ARG 102.A NE GLU 99.A OE2 no hydrogen 2.804 N/A ARG 102.A NH2 GLU 99.A OE1 no hydrogen 2.663 N/A VAL 103.A N GLU 99.A O no hydrogen 3.374 N/A VAL 103.A N THR 100.A O no hydrogen 3.055 N/A THR 104.A N THR 100.A O no hydrogen 2.821 N/A THR 104.A OG1 THR 100.A O no hydrogen 3.067 N/A THR 104.A OG1 THR 106.A O no hydrogen 3.396 N/A LYS 108.A N THR 106.A OG1 no hydrogen 3.238 N/A GLY 109.A N THR 106.A OG1 no hydrogen 2.813 N/A SER 111.A N ARG 61.A O no hydrogen 2.885 N/A VAL 113.A N SER 111.A OG no hydrogen 3.221 N/A ILE 115.A N PRO 63.A O no hydrogen 3.008 N/A LEU 117.A N VAL 65.A O no hydrogen 2.945 N/A ARG 118.A N GLU 77.A O no hydrogen 2.933 N/A ARG 118.A NE GLN 67.A OE1 no hydrogen 2.913 N/A ARG 118.A NH2 GLN 67.A OE1 no hydrogen 2.747 N/A VAL 119.A N GLN 67.A O no hydrogen 2.822 N/A TYR 120.A N TYR 75.A O no hydrogen 2.825 N/A SER 121.A N VAL 69.A O no hydrogen 3.160 N/A HIS 123.A N SER 121.A OG no hydrogen 2.906 N/A LEU 127.A N LEU 68.A O no hydrogen 3.011 N/A LEU 129.A N LEU 66.A O no hydrogen 2.981 N/A VAL 130.A N ILE 29.A O no hydrogen 2.769 N/A ASP 131.A N LEU 64.A O no hydrogen 2.762 N/A MET 135.A N GLY 33.A O no hydrogen 2.938 N/A LYS 137.A NZ GLU 148.A OE2 no hydrogen 3.138 N/A ILE 147.A N PRO 144.A O no hydrogen 3.090 N/A PHE 149.A N ASP 146.A O no hydrogen 2.723 N/A GLN 150.A N ASP 146.A O no hydrogen 3.063 N/A GLN 150.A NE2 ASP 146.A OD1 no hydrogen 2.909 N/A ILE 151.A N ILE 147.A O no hydrogen 2.919 N/A ARG 152.A N GLU 148.A O no hydrogen 2.983 N/A ARG 152.A NH1.B GLU 187.A OE2 no hydrogen 3.150 N/A ARG 152.A NH2.A GLU 187.A OE2 no hydrogen 2.393 N/A ARG 152.A NH2.B GLU 187.A OE1 no hydrogen 2.450 N/A ASP 153.A N PHE 149.A O no hydrogen 2.802 N/A MET 154.A N GLN 150.A O no hydrogen 3.011 N/A LEU 155.A N ILE 151.A O no hydrogen 2.876 N/A MET 156.A N ARG 152.A O no hydrogen 2.822 N/A GLN 157.A N ASP 153.A O no hydrogen 3.117 N/A PHE 158.A N LEU 155.A O no hydrogen 3.062 N/A VAL 159.A N LEU 155.A O no hydrogen 2.931 N/A THR 160.A N MET 156.A O no hydrogen 2.957 N/A THR 160.A OG1 MET 156.A O no hydrogen 2.773 N/A LYS 161.A N PHE 158.A O no hydrogen 3.327 N/A LYS 161.A NZ ASN 21.A O no hydrogen 3.210 N/A LYS 161.A NZ LEU 24.A O no hydrogen 2.668 N/A ASN 163.A N ASP 25.A OD1 no hydrogen 2.975 N/A ASN 163.A N ASP 25.A OD2 no hydrogen 3.081 N/A ASN 163.A ND2 ASP 25.A O no hydrogen 2.801 N/A CYS 164.A N LYS 161.A O no hydrogen 3.068 N/A CYS 164.A SG PHE 158.A O no hydrogen 3.586 N/A CYS 164.A SG LEU 165.A O no hydrogen 3.734 N/A LEU 165.A N GLN 28.A O no hydrogen 2.854 N/A ILE 166.A N ARG 194.A O no hydrogen 2.791 N/A LEU 167.A N ALA 30.A O no hydrogen 2.791 N/A ALA 168.A N ILE 196.A O no hydrogen 2.957 N/A VAL 169.A N VAL 32.A O no hydrogen 2.928 N/A SER 170.A N VAL 198.A O no hydrogen 2.940 N/A SER 170.A OG SER 179.A OG no hydrogen 2.425 N/A ALA 172.A N THR 200.A O no hydrogen 2.787 N/A SER 174.A OG PRO 171.A O no hydrogen 2.822 N/A ALA 177.A N ASP 175.A OD1 no hydrogen 3.096 N/A ASN 178.A N ASP 175.A O no hydrogen 2.837 N/A SER 179.A N LEU 176.A O no hydrogen 3.029 N/A SER 179.A OG SER 170.A OG no hydrogen 2.425 N/A LEU 182.A N SER 179.A OG no hydrogen 3.123 N/A LYS 183.A N SER 179.A O no hydrogen 2.959 N/A LYS 183.A NZ ASN 178.A OD1 no hydrogen 2.874 N/A ILE 184.A N ASP 180.A O no hydrogen 3.117 N/A ALA 185.A N ALA 181.A O no hydrogen 2.908 N/A LYS 186.A N LEU 182.A O no hydrogen 2.957 N/A GLU 187.A N LYS 183.A O no hydrogen 3.036 N/A VAL 188.A N ILE 184.A O no hydrogen 3.432 N/A ASP 189.A N ALA 185.A O no hydrogen 2.685 N/A GLY 192.A N ASP 189.A O no hydrogen 2.931 N/A GLN 193.A N ASP 189.A OD1 no hydrogen 3.046 N/A ARG 194.A N ASP 189.A OD2 no hydrogen 2.751 N/A ARG 194.A NH1 VAL 159.A O no hydrogen 2.918 N/A ARG 194.A NH1 CYS 164.A O no hydrogen 2.741 N/A ARG 194.A NH2 VAL 159.A O no hydrogen 2.959 N/A THR 195.A OG1 ASP 189.A OD2 no hydrogen 2.734 N/A ILE 196.A N ILE 166.A O no hydrogen 2.666 N/A GLY 197.A N GLY 225.A O no hydrogen 2.945 N/A VAL 198.A N ALA 168.A O no hydrogen 2.850 N/A ILE 199.A N ILE 227.A O no hydrogen 2.909 N/A THR 200.A N SER 170.A O no hydrogen 2.894 N/A THR 200.A OG1 ALA 37.A O no hydrogen 2.627 N/A THR 200.A OG1 SER 170.A O no hydrogen 3.398 N/A LYS 201.A NZ SER 36.A O no hydrogen 2.845 N/A LEU 204.A N LYS 201.A O no hydrogen 2.880 N/A MET 205.A N LEU 202.A O no hydrogen 3.488 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.859 N/A THR 209.A N ASP 206.A O no hydrogen 3.086 N/A THR 209.A OG1 ASP 206.A O no hydrogen 2.848 N/A ALA 211.A N TYR 260.A OH no hydrogen 2.896 N/A ARG 212.A N ASP 210.A OD2 no hydrogen 3.016 N/A ARG 212.A NE GLU 216.A OE1 no hydrogen 2.957 N/A VAL 214.A N ALA 211.A O no hydrogen 3.160 N/A LEU 215.A N ALA 211.A O no hydrogen 2.997 N/A GLU 216.A N ARG 212.A O no hydrogen 2.824 N/A ASN 217.A N VAL 214.A O no hydrogen 2.844 N/A ASN 217.A ND2 LEU 222.A O no hydrogen 3.404 N/A LYS 218.A N ASP 213.A O no hydrogen 2.965 N/A LEU 219.A N ASP 213.A O no hydrogen 3.219 N/A ARG 223.A N GLY 192.A O no hydrogen 3.004 N/A ARG 224.A NE GLN 193.A O no hydrogen 2.905 N/A ARG 224.A NH1 GLN 279.A OE1 no hydrogen 2.885 N/A GLY 225.A N LEU 222.A O no hydrogen 3.004 N/A TYR 226.A OH LEU 220.A O no hydrogen 2.532 N/A ILE 227.A N GLY 197.A O no hydrogen 2.792 N/A VAL 229.A N ILE 199.A O no hydrogen 2.964 N/A VAL 230.A N GLU 250.A OE2 no hydrogen 3.070 N/A ARG 232.A NE ASP 203.A OD1 no hydrogen 3.496 N/A GLN 234.A NE2 ARG 232.A O no hydrogen 3.147 N/A LYS 235.A NZ GLN 234.A O no hydrogen 3.230 N/A ASP 236.A N LYS 240.A O no hydrogen 2.784 N/A GLY 239.A N ASP 236.A O no hydrogen 2.707 N/A LYS 240.A N ASP 236.A OD2 no hydrogen 3.070 N/A LYS 241.A NZ GLU 44.A O no hydrogen 3.222 N/A LYS 241.A NZ ASP 50.A OD2 no hydrogen 3.147 N/A ASP 242.A N GLN 234.A O no hydrogen 3.003 N/A ALA 245.A N ASP 242.A OD1 no hydrogen 3.147 N/A ALA 246.A N ASP 242.A O no hydrogen 2.970 N/A LEU 247.A N ILE 243.A O no hydrogen 2.822 N/A ALA 248.A N THR 244.A O no hydrogen 3.119 N/A ALA 249.A N ALA 245.A O no hydrogen 2.927 N/A GLU 250.A N ALA 246.A O no hydrogen 3.016 N/A ARG 251.A N LEU 247.A O no hydrogen 2.976 N/A ARG 251.A NH1 ASP 265.A OD2 no hydrogen 2.934 N/A ARG 251.A NH2 ASP 265.A OD2 no hydrogen 2.805 N/A LYS 252.A N ALA 248.A O no hydrogen 2.836 N/A PHE 253.A N ALA 249.A O no hydrogen 2.965 N/A PHE 254.A N GLU 250.A O no hydrogen 3.234 N/A LEU 255.A N ARG 251.A O no hydrogen 3.038 N/A SER 256.A N LYS 252.A O no hydrogen 2.979 N/A SER 256.A OG LYS 252.A O no hydrogen 2.920 N/A SER 259.A N HIS 257.A ND1 no hydrogen 2.950 N/A SER 259.A OG ASP 210.A OD1 no hydrogen 2.602 N/A TYR 260.A N HIS 257.A O no hydrogen 3.123 N/A ARG 261.A N HIS 257.A O no hydrogen 2.937 N/A ARG 261.A NH1 LEU 255.A O no hydrogen 2.918 N/A HIS 262.A NE2 GLU 216.A OE1 no hydrogen 2.580 N/A LEU 263.A N TYR 260.A O no hydrogen 2.842 N/A ALA 264.A N ARG 261.A O no hydrogen 3.232 N/A ARG 266.A N LEU 263.A O no hydrogen 2.681 N/A MET 267.A N ALA 264.A O no hydrogen 3.155 N/A GLY 268.A N GLY 228.A O no hydrogen 2.742 N/A THR 269.A N GLU 250.A OE1 no hydrogen 2.886 N/A LEU 272.A N GLY 268.A O no hydrogen 2.918 N/A GLN 273.A N THR 269.A O no hydrogen 2.870 N/A LYS 274.A N PRO 270.A O no hydrogen 3.112 N/A VAL 275.A N TYR 271.A O no hydrogen 2.890 N/A LEU 276.A N LEU 272.A O no hydrogen 2.918 N/A ASN 277.A N GLN 273.A O no hydrogen 2.940 N/A ASN 277.A ND2 ASN 126.A O no hydrogen 2.722 N/A GLN 278.A N LYS 274.A O no hydrogen 3.037 N/A GLN 279.A N VAL 275.A O no hydrogen 2.868 N/A GLN 279.A NE2 ARG 224.A O no hydrogen 3.540 N/A LEU 280.A N LEU 276.A O no hydrogen 2.816 N/A THR 281.A N ASN 277.A O no hydrogen 3.028 N/A THR 281.A OG1 ASN 277.A O no hydrogen 2.721 N/A ASN 282.A N GLN 278.A O no hydrogen 3.010 N/A HIS 283.A N GLN 279.A O no hydrogen 2.936 N/A HIS 283.A NE2 ASN 163.A O no hydrogen 2.747 N/A ILE 284.A N LEU 280.A O no hydrogen 2.876 N/A ARG 285.A N THR 281.A O no hydrogen 2.904 N/A ASP 286.A N ASN 282.A O no hydrogen 2.959 N/A THR 287.A N HIS 283.A O no hydrogen 3.002 N/A THR 287.A OG1 HIS 283.A O no hydrogen 2.681 N/A THR 287.A OG1 ILE 284.A O no hydrogen 3.506 N/A LEU 288.A N ILE 284.A O no hydrogen 2.796 N/A LEU 291.A N LEU 288.A O no hydrogen 2.919 N/A LYS 294.A N GLY 290.A O no hydrogen 3.143 N/A LEU 295.A N LEU 291.A O no hydrogen 2.873 N/A GLN 296.A N ARG 292.A O no hydrogen 3.251 N/A SER 297.A N ASN 293.A O no hydrogen 3.439 N/A SER 297.A OG LYS 294.A O no hydrogen 2.569 N/A GLN 298.A N LYS 294.A O no hydrogen 3.090 N/A GLN 298.A N LEU 295.A O no hydrogen 2.905 N/A LEU 299.A N LEU 295.A O no hydrogen 3.005 N/A