Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aa8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N HIS 146.A O no hydrogen 2.615 N/A GLU 2.A N LEU 147.A O no hydrogen 2.857 N/A ALA 4.A N LEU 168.A O no hydrogen 3.113 N/A VAL 6.A N LEU 166.A O no hydrogen 2.741 N/A LEU 8.A N SER 164.A O no hydrogen 3.039 N/A THR 9.A N PHE 17.A O no hydrogen 2.795 N/A TYR 11.A N SER 14.A OG no hydrogen 2.696 N/A ASP 13.A N ASP 13.A OD1 no hydrogen 2.548 N/A SER 14.A N TYR 11.A O no hydrogen 2.886 N/A SER 14.A OG TYR 11.A O no hydrogen 3.046 N/A SER 14.A OG GLN 15.A O no hydrogen 3.055 N/A PHE 17.A N THR 9.A O no hydrogen 2.999 N/A GLY 18.A N VAL 31.A O no hydrogen 3.052 N/A LYS 19.A NZ GLU 28.A OE2 no hydrogen 3.219 N/A ILE 20.A N PHE 29.A O no hydrogen 3.055 N/A TYR 21.A N THR 92.A O no hydrogen 2.934 N/A LEU 22.A N GLN 27.A O no hydrogen 2.832 N/A GLY 23.A N THR 90.A O no hydrogen 2.961 N/A THR 24.A N SER 63.A OG no hydrogen 3.139 N/A THR 24.A OG1 THR 65.A OG1 no hydrogen 2.753 N/A GLN 27.A N LEU 22.A O no hydrogen 2.808 N/A GLN 27.A NE2 ASP 59.A O no hydrogen 2.950 N/A PHE 29.A N ILE 20.A O no hydrogen 3.039 N/A THR 30.A N ASP 120.A OD2 no hydrogen 2.880 N/A THR 30.A OG1 ASP 120.A OD2 no hydrogen 3.184 N/A VAL 31.A N GLY 18.A O no hydrogen 2.811 N/A LEU 32.A N GLY 121.A O no hydrogen 2.920 N/A ASP 34.A N LEU 123.A O no hydrogen 2.923 N/A THR 35.A N THR 217.A OG1 no hydrogen 2.908 N/A THR 35.A OG1 LEU 215.A O no hydrogen 2.854 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.864 N/A SER 37.A N ASP 34.A O no hydrogen 3.281 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.659 N/A SER 38.A OG TYR 127.A O no hydrogen 2.526 N/A TRP 41.A N ILE 122.A O no hydrogen 2.949 N/A VAL 42.A N GLY 104.A O no hydrogen 2.940 N/A SER 44.A OG SER 106.A O no hydrogen 2.762 N/A ILE 45.A N PHE 58.A O no hydrogen 3.095 N/A TYR 46.A N SER 44.A OG no hydrogen 3.019 N/A CYS 47.A N SER 44.A O no hydrogen 2.986 N/A CYS 47.A SG SER 49.A OG no hydrogen 3.589 N/A CYS 47.A SG THR 107.A O no hydrogen 3.548 N/A CYS 52.A SG SER 106.A OG no hydrogen 3.550 N/A CYS 52.A SG GLU 109.A OE2 no hydrogen 3.241 N/A LYS 53.A N SER 49.A O no hydrogen 3.079 N/A ASN 54.A N ASN 50.A O no hydrogen 3.189 N/A ASN 54.A N ALA 51.A O no hydrogen 3.163 N/A ASN 54.A ND2 THR 115.A O no hydrogen 2.671 N/A HIS 55.A N CYS 52.A O no hydrogen 3.104 N/A HIS 55.A ND1 ALA 51.A O no hydrogen 2.982 N/A HIS 55.A NE2 ALA 117.A O no hydrogen 2.695 N/A GLN 56.A N ASP 120.A OD1 no hydrogen 3.015 N/A ARG 57.A NE HIS 55.A O no hydrogen 3.069 N/A PHE 58.A N PRO 43.A O no hydrogen 2.753 N/A ASP 59.A N GLN 27.A OE1 no hydrogen 2.969 N/A ARG 61.A N ASP 59.A OD1 no hydrogen 3.049 N/A ARG 61.A NE ASP 59.A OD1 no hydrogen 2.799 N/A ARG 61.A NE ASP 59.A OD2 no hydrogen 3.398 N/A ARG 61.A NH2 ASP 59.A OD2 no hydrogen 3.070 N/A LYS 62.A N ASP 59.A O no hydrogen 3.083 N/A SER 63.A N PRO 60.A O no hydrogen 3.046 N/A SER 63.A OG ASP 89.A OD1 no hydrogen 3.445 N/A SER 63.A OG ASP 89.A OD2 no hydrogen 2.681 N/A SER 64.A N THR 24.A O no hydrogen 2.953 N/A SER 64.A OG THR 24.A O no hydrogen 3.327 N/A THR 65.A N SER 63.A OG no hydrogen 3.350 N/A THR 65.A OG1 THR 24.A OG1 no hydrogen 2.753 N/A THR 65.A OG1 SER 63.A OG no hydrogen 3.303 N/A THR 65.A OG1 ASP 89.A OD1 no hydrogen 2.586 N/A GLN 67.A N TYR 88.A O no hydrogen 2.964 N/A LEU 69.A N LEU 86.A O no hydrogen 2.910 N/A GLY 70.A N ASN 68.A OD1 no hydrogen 2.885 N/A GLY 70.A N LEU 86.A O no hydrogen 3.238 N/A LEU 73.A N GLY 84.A O no hydrogen 2.875 N/A ILE 75.A N MET 82.A O no hydrogen 3.109 N/A HIS 76.A ND1 SER 81.A OG no hydrogen 2.800 N/A TYR 77.A N GLY 80.A O no hydrogen 2.955 N/A GLY 80.A N TYR 77.A O no hydrogen 2.961 N/A SER 81.A OG HIS 76.A ND1 no hydrogen 2.800 N/A MET 82.A N ILE 75.A O no hydrogen 3.057 N/A GLN 83.A N GLN 108.A O no hydrogen 2.830 N/A GLY 84.A N LEU 73.A O no hydrogen 2.862 N/A ILE 85.A N LEU 105.A O no hydrogen 2.994 N/A LEU 86.A N LYS 71.A O no hydrogen 2.755 N/A GLY 87.A N VAL 103.A O no hydrogen 2.910 N/A TYR 88.A N GLN 67.A O no hydrogen 2.685 N/A ASP 89.A N GLN 101.A O no hydrogen 3.041 N/A THR 90.A N ASP 89.A OD1 no hydrogen 2.653 N/A VAL 91.A N ASP 98.A O no hydrogen 2.918 N/A THR 92.A N TYR 21.A O no hydrogen 2.850 N/A VAL 93.A N ILE 96.A O no hydrogen 2.929 N/A ASN 95.A ND2 GLU 2.A OE2 no hydrogen 3.405 N/A ILE 96.A N VAL 93.A O no hydrogen 2.825 N/A ASP 98.A N VAL 91.A O no hydrogen 2.807 N/A GLN 101.A N ASP 89.A O no hydrogen 2.772 N/A GLN 101.A NE2 THR 102.A O no hydrogen 2.878 N/A GLN 101.A NE2 ILE 136.A O no hydrogen 2.777 N/A VAL 103.A N GLY 87.A O no hydrogen 2.799 N/A GLY 104.A N PHE 40.A O no hydrogen 2.833 N/A LEU 105.A N ILE 85.A O no hydrogen 2.988 N/A SER 106.A N VAL 42.A O no hydrogen 2.964 N/A SER 106.A OG GLU 109.A OE2 no hydrogen 2.898 N/A THR 107.A N GLN 83.A O no hydrogen 2.779 N/A THR 107.A OG1 GLN 83.A O no hydrogen 3.037 N/A GLN 108.A N GLN 83.A O no hydrogen 2.956 N/A GLU 109.A N SER 49.A OG no hydrogen 3.018 N/A THR 115.A OG1 GLY 111.A O no hydrogen 3.247 N/A ALA 117.A N PHE 114.A O no hydrogen 3.258 N/A ASP 120.A N THR 30.A O no hydrogen 2.797 N/A ASP 120.A N THR 30.A OG1 no hydrogen 3.114 N/A GLY 121.A N THR 30.A O no hydrogen 3.164 N/A ILE 122.A N TRP 41.A O no hydrogen 3.069 N/A LEU 123.A N LEU 32.A O no hydrogen 2.848 N/A GLY 124.A N ASP 39.A O no hydrogen 2.786 N/A MET 125.A N ASP 34.A O no hydrogen 2.827 N/A ALA 126.A N SER 37.A O no hydrogen 2.856 N/A TYR 127.A N GLN 189.A O no hydrogen 3.076 N/A TYR 127.A OH ASN 315.A OD1 no hydrogen 2.807 N/A SER 129.A OG GLN 188.A O no hydrogen 2.840 N/A LEU 130.A N TYR 127.A O no hydrogen 2.972 N/A ALA 131.A N PRO 128.A O no hydrogen 2.944 N/A SER 132.A N ASP 39.A OD1 no hydrogen 2.853 N/A SER 132.A OG ASP 39.A OD2 no hydrogen 2.565 N/A SER 135.A N SER 132.A O no hydrogen 3.068 N/A SER 135.A OG ASP 39.A OD1 no hydrogen 2.609 N/A ILE 136.A N THR 102.A OG1 no hydrogen 2.918 N/A ASN 141.A N PRO 137.A O no hydrogen 3.140 N/A ASN 141.A ND2 GLN 101.A OE1 no hydrogen 2.782 N/A MET 142.A N VAL 138.A O no hydrogen 3.009 N/A MET 143.A N PHE 139.A O no hydrogen 2.873 N/A ASN 144.A N ASP 140.A O no hydrogen 2.828 N/A ARG 145.A N ASN 141.A O no hydrogen 3.055 N/A ARG 145.A NH1 ILE 99.A O no hydrogen 2.462 N/A ARG 145.A NH2 ILE 99.A O no hydrogen 2.898 N/A HIS 146.A N MET 143.A O no hydrogen 2.964 N/A LEU 147.A N MET 142.A O no hydrogen 2.764 N/A ALA 149.A N GLU 2.A O no hydrogen 2.914 N/A LEU 152.A N GLN 150.A O no hydrogen 2.834 N/A PHE 153.A N PHE 310.A O no hydrogen 2.993 N/A SER 154.A N THR 167.A O no hydrogen 2.900 N/A SER 154.A OG ALA 170.A O no hydrogen 2.884 N/A VAL 155.A N SER 308.A O no hydrogen 2.770 N/A TYR 156.A N MET 165.A O no hydrogen 2.875 N/A ASP 158.A N SER 164.A OG no hydrogen 2.734 N/A ASN 160.A N ASP 158.A OD1 no hydrogen 3.242 N/A GLU 163.A N ASP 158.A OD2 no hydrogen 2.938 N/A MET 165.A N TYR 156.A O no hydrogen 2.912 N/A LEU 166.A N VAL 6.A O no hydrogen 2.781 N/A THR 167.A N SER 154.A O no hydrogen 2.826 N/A LEU 168.A N ALA 4.A O no hydrogen 2.832 N/A GLY 169.A N LEU 152.A O no hydrogen 2.832 N/A ASP 172.A N TYR 307.A OH no hydrogen 3.031 N/A SER 174.A N ASP 172.A OD1 no hydrogen 3.048 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 3.046 N/A SER 174.A OG ASP 172.A OD2 no hydrogen 3.299 N/A TYR 175.A N ASP 172.A O no hydrogen 3.103 N/A TYR 176.A N PRO 173.A O no hydrogen 3.428 N/A THR 177.A N LYS 321.A O no hydrogen 2.934 N/A HIS 181.A N LEU 319.A O no hydrogen 2.844 N/A VAL 183.A N VAL 317.A O no hydrogen 2.749 N/A VAL 185.A N ASN 315.A O no hydrogen 3.110 N/A THR 186.A N GLN 192.A O no hydrogen 2.827 N/A THR 186.A OG1 GLN 212.A OE1 no hydrogen 2.687 N/A GLN 189.A N VAL 187.A O no hydrogen 3.101 N/A GLN 189.A N TYR 190.A O no hydrogen 3.225 N/A GLN 189.A NE2 SER 129.A O no hydrogen 3.215 N/A TRP 191.A NE1 MET 125.A O no hydrogen 2.980 N/A GLN 192.A NE2 GLN 212.A OE1 no hydrogen 2.935 N/A PHE 193.A N ALA 213.A O no hydrogen 2.879 N/A VAL 195.A N CYS 211.A O no hydrogen 2.796 N/A ASP 196.A N GLU 262.A O no hydrogen 2.765 N/A SER 197.A OG GLU 262.A OE1 no hydrogen 3.197 N/A VAL 198.A N ALA 206.A O no hydrogen 3.014 N/A THR 199.A N VAL 260.A O no hydrogen 2.902 N/A ILE 200.A N VAL 203.A O no hydrogen 2.892 N/A VAL 203.A N ILE 200.A O no hydrogen 2.875 N/A VAL 205.A N VAL 198.A O no hydrogen 2.820 N/A ALA 206.A N VAL 198.A O no hydrogen 3.280 N/A CYS 207.A N ASP 228.A OD2 no hydrogen 2.928 N/A CYS 207.A SG VAL 195.A O no hydrogen 3.210 N/A GLY 210.A N CYS 207.A O no hydrogen 2.983 N/A CYS 211.A N VAL 195.A O no hydrogen 2.816 N/A CYS 211.A SG VAL 195.A O no hydrogen 3.800 N/A GLN 212.A NE2 THR 194.A OG1 no hydrogen 2.897 N/A ALA 213.A N PHE 193.A O no hydrogen 2.903 N/A ILE 214.A N TRP 296.A O no hydrogen 2.844 N/A LEU 215.A N TRP 191.A O no hydrogen 2.987 N/A ASP 216.A N LEU 298.A O no hydrogen 2.963 N/A THR 217.A N THR 35.A OG1 no hydrogen 2.926 N/A THR 217.A OG1 PHE 33.A O no hydrogen 2.690 N/A GLY 218.A N ASP 216.A OD1 no hydrogen 2.762 N/A THR 219.A N ASP 216.A O no hydrogen 3.265 N/A THR 219.A OG1 ASP 216.A OD2 no hydrogen 2.692 N/A LYS 221.A NZ GLU 245.A OE1 no hydrogen 2.850 N/A LEU 222.A N GLY 286.A O no hydrogen 2.739 N/A VAL 223.A N ILE 297.A O no hydrogen 2.855 N/A GLY 224.A N GLN 288.A O no hydrogen 3.027 N/A SER 226.A OG GLU 290.A O no hydrogen 3.310 N/A ILE 229.A N PRO 225.A O no hydrogen 2.998 N/A LEU 230.A N SER 226.A O no hydrogen 2.903 N/A ASN 231.A N SER 227.A O no hydrogen 3.252 N/A ASN 231.A ND2 VAL 205.A O no hydrogen 2.772 N/A ILE 232.A N ASP 228.A O no hydrogen 3.194 N/A GLN 233.A N ILE 229.A O no hydrogen 2.729 N/A GLN 233.A NE2 PHE 287.A O no hydrogen 2.966 N/A GLN 234.A N LEU 230.A O no hydrogen 3.005 N/A ALA 235.A N ASN 231.A O no hydrogen 3.020 N/A ILE 236.A N ILE 232.A O no hydrogen 2.949 N/A GLY 237.A N GLN 234.A O no hydrogen 3.169 N/A ALA 238.A N GLN 233.A O no hydrogen 2.884 N/A THR 239.A N ASP 247.A O no hydrogen 3.153 N/A GLN 240.A NE2 GLY 244.A O no hydrogen 3.483 N/A ASN 241.A N GLU 245.A O no hydrogen 2.759 N/A GLY 244.A N ASN 241.A O no hydrogen 2.806 N/A GLU 245.A N ASN 241.A OD1 no hydrogen 2.926 N/A ASP 247.A N THR 239.A O no hydrogen 2.819 N/A ILE 248.A N CYS 283.A O no hydrogen 2.646 N/A ASN 252.A N ASP 249.A O no hydrogen 2.901 N/A TYR 255.A N ASN 252.A O no hydrogen 2.844 N/A MET 256.A N LEU 253.A O no hydrogen 3.340 N/A VAL 259.A N LEU 270.A O no hydrogen 2.964 N/A VAL 260.A N THR 199.A O no hydrogen 2.871 N/A PHE 261.A N TYR 268.A O no hydrogen 3.021 N/A GLU 262.A N SER 197.A O no hydrogen 2.889 N/A ILE 263.A N LYS 266.A O no hydrogen 2.961 N/A ASN 264.A ND2 TRP 182.A O no hydrogen 3.509 N/A GLY 265.A N ASP 196.A OD2 no hydrogen 3.222 N/A LYS 266.A N ILE 263.A O no hydrogen 3.070 N/A TYR 268.A N PHE 261.A O no hydrogen 2.717 N/A LEU 270.A N VAL 259.A O no hydrogen 2.692 N/A ALA 274.A N THR 271.A OG1 no hydrogen 3.287 N/A TYR 275.A N THR 271.A O no hydrogen 3.054 N/A TYR 275.A OH PRO 257.A O no hydrogen 2.776 N/A THR 276.A N PRO 272.A O no hydrogen 3.006 N/A THR 276.A OG1 PRO 272.A O no hydrogen 2.667 N/A SER 277.A N THR 284.A O no hydrogen 3.030 N/A SER 277.A OG THR 284.A O no hydrogen 3.241 N/A SER 277.A OG THR 284.A OG1 no hydrogen 2.705 N/A THR 284.A N SER 277.A O no hydrogen 2.885 N/A THR 284.A OG1 SER 277.A OG no hydrogen 2.705 N/A SER 285.A N PHE 246.A O no hydrogen 2.753 N/A SER 285.A OG GLN 233.A OE1 no hydrogen 2.815 N/A GLY 286.A N TYR 275.A O no hydrogen 2.765 N/A PHE 287.A N SER 285.A OG no hydrogen 3.011 N/A GLN 288.A N LEU 222.A O no hydrogen 2.905 N/A GLU 290.A N GLY 224.A O no hydrogen 3.027 N/A ASN 291.A ND2 SER 226.A OG no hydrogen 2.908 N/A LYS 295.A N SER 293.A OG no hydrogen 3.166 N/A LYS 295.A NZ GLN 192.A OE1 no hydrogen 2.861 N/A TRP 296.A N GLN 212.A O no hydrogen 2.853 N/A ILE 297.A N VAL 223.A O no hydrogen 2.811 N/A LEU 298.A N ILE 214.A O no hydrogen 2.754 N/A GLY 299.A N LYS 221.A O no hydrogen 3.169 N/A ASP 300.A N THR 219.A O no hydrogen 2.781 N/A VAL 301.A N SER 220.A O no hydrogen 3.125 N/A PHE 302.A N GLY 299.A O no hydrogen 2.961 N/A ILE 303.A N GLY 299.A O no hydrogen 3.139 N/A ARG 304.A N ASP 300.A O no hydrogen 2.885 N/A ARG 304.A NH1 TYR 16.A OH no hydrogen 3.260 N/A GLU 305.A N PHE 302.A O no hydrogen 2.920 N/A TYR 306.A N PHE 302.A O no hydrogen 3.016 N/A TYR 306.A N ILE 303.A O no hydrogen 3.128 N/A TYR 306.A OH PRO 269.A O no hydrogen 2.814 N/A SER 308.A N VAL 155.A O no hydrogen 3.184 N/A SER 308.A OG TYR 306.A O no hydrogen 2.907 N/A VAL 309.A N GLY 318.A O no hydrogen 2.818 N/A PHE 310.A N PHE 153.A O no hydrogen 2.791 N/A ASP 311.A N LEU 316.A O no hydrogen 2.950 N/A ARG 312.A N ASP 151.A O no hydrogen 2.944 N/A ARG 312.A NH1 ASP 140.A OD1 no hydrogen 2.839 N/A ARG 312.A NH2 ASP 140.A OD2 no hydrogen 2.852 N/A ALA 313.A N ASP 151.A O no hydrogen 3.335 N/A ASN 314.A N ASP 311.A OD1 no hydrogen 3.117 N/A ASN 314.A ND2 ASP 311.A OD2 no hydrogen 2.717 N/A LEU 316.A N ASP 311.A O no hydrogen 3.107 N/A VAL 317.A N VAL 183.A O no hydrogen 2.816 N/A GLY 318.A N VAL 309.A O no hydrogen 2.698 N/A LEU 319.A N HIS 181.A O no hydrogen 2.944 N/A ALA 320.A N TYR 307.A O no hydrogen 3.097 N/A ALA 322.A N GLU 305.A O no hydrogen 2.917 N/A ILE 323.A N TYR 175.A O no hydrogen 2.950 N/A