Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ae9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N SER 2.A O no hydrogen 3.353 N/A PHE 7.A N ASP 3.A O no hydrogen 3.196 N/A LEU 8.A N VAL 4.A O no hydrogen 3.129 N/A ALA 9.A N LYS 5.A O no hydrogen 3.131 N/A LYS 10.A N GLU 6.A O no hydrogen 2.955 N/A ALA 11.A N PHE 7.A O no hydrogen 2.932 N/A LYS 12.A N LEU 8.A O no hydrogen 2.919 N/A GLU 13.A N ALA 9.A O no hydrogen 3.064 N/A ASP 14.A N LYS 10.A O no hydrogen 3.058 N/A PHE 15.A N ALA 11.A O no hydrogen 2.832 N/A LEU 16.A N LYS 12.A O no hydrogen 2.800 N/A LYS 17.A N GLU 13.A O no hydrogen 3.064 N/A LYS 18.A N ASP 14.A O no hydrogen 3.318 N/A TRP 19.A N PHE 15.A O no hydrogen 2.758 N/A GLU 20.A N LEU 16.A O no hydrogen 2.866 N/A GLU 20.A N LYS 17.A O no hydrogen 3.109 N/A SER 21.A N LYS 17.A O no hydrogen 3.231 N/A ALA 23.A N GLN 85.A OE1 no hydrogen 3.021 N/A THR 26.A N SER 98.A O no hydrogen 2.836 N/A THR 26.A OG1 SER 98.A O no hydrogen 3.368 N/A ASP 30.A N HIS 28.A ND1 no hydrogen 3.028 N/A GLN 31.A N HIS 28.A O no hydrogen 2.857 N/A GLN 31.A NE2 HIS 28.A O no hydrogen 3.453 N/A PHE 32.A N LEU 29.A O no hydrogen 3.227 N/A GLU 33.A N LYS 50.A O no hydrogen 2.772 N/A ILE 35.A N LEU 48.A O no hydrogen 2.798 N/A LEU 38.A N VAL 46.A O no hydrogen 2.776 N/A GLY 39.A N VAL 46.A O no hydrogen 3.130 N/A THR 40.A OG1 GLY 41.A O no hydrogen 3.510 N/A GLY 41.A N GLY 44.A O no hydrogen 2.721 N/A VAL 46.A N GLY 39.A O no hydrogen 2.837 N/A MET 47.A N MET 60.A O no hydrogen 2.774 N/A LEU 48.A N LYS 36.A O no hydrogen 2.812 N/A VAL 49.A N TYR 58.A O no hydrogen 2.935 N/A LYS 50.A N GLU 33.A O no hydrogen 2.881 N/A HIS 51.A N ASN 56.A O no hydrogen 2.810 N/A LYS 52.A N GLN 31.A O no hydrogen 2.884 N/A LYS 52.A NZ ASP 30.A O no hydrogen 3.067 N/A THR 54.A N HIS 51.A ND1 no hydrogen 3.152 N/A GLY 55.A N HIS 51.A O no hydrogen 2.773 N/A ASN 56.A N THR 54.A OG1 no hydrogen 3.410 N/A ASN 56.A ND2 TYR 58.A OH no hydrogen 3.076 N/A TYR 58.A N VAL 49.A O no hydrogen 2.864 N/A ALA 59.A N MET 109.A O no hydrogen 2.892 N/A MET 60.A N MET 47.A O no hydrogen 2.675 N/A LYS 61.A N MET 107.A O no hydrogen 3.014 N/A ILE 62.A N ARG 45.A O no hydrogen 2.930 N/A LEU 63.A N LEU 105.A O no hydrogen 2.751 N/A ASP 64.A N PHE 43.A O no hydrogen 2.995 N/A LYS 65.A N SER 103.A O no hydrogen 2.993 N/A LYS 65.A NZ ASP 101.A O no hydrogen 2.674 N/A LYS 65.A NZ ASN 102.A O no hydrogen 3.027 N/A LYS 65.A NZ LYS 313.A O no hydrogen 2.746 N/A GLN 66.A N ASP 64.A OD1 no hydrogen 2.872 N/A LYS 67.A N ASP 64.A OD1 no hydrogen 3.240 N/A VAL 68.A N ASP 64.A O no hydrogen 3.011 N/A VAL 69.A N LYS 65.A O no hydrogen 2.894 N/A LYS 70.A N GLN 66.A O no hydrogen 2.845 N/A LEU 71.A N LYS 67.A O no hydrogen 2.832 N/A LYS 72.A N VAL 69.A O no hydrogen 3.007 N/A GLN 73.A N VAL 68.A O no hydrogen 3.054 N/A HIS 76.A ND1 GLN 73.A OE1 no hydrogen 2.866 N/A THR 77.A N GLN 73.A O no hydrogen 2.893 N/A THR 77.A OG1 GLN 73.A O no hydrogen 2.747 N/A LEU 78.A N ILE 74.A O no hydrogen 2.923 N/A ASN 79.A N GLU 75.A O no hydrogen 2.978 N/A ASN 79.A ND2 ALA 176.A O no hydrogen 3.126 N/A GLU 80.A N HIS 76.A O no hydrogen 2.941 N/A LYS 81.A N THR 77.A O no hydrogen 3.351 N/A LYS 81.A NZ ALA 23.A O no hydrogen 3.026 N/A LYS 81.A NZ PHE 321.A OXT no hydrogen 2.549 N/A ARG 82.A N LEU 78.A O no hydrogen 2.925 N/A ARG 82.A NE TRP 19.A O no hydrogen 3.169 N/A ARG 82.A NH2 TRP 19.A O no hydrogen 3.006 N/A ILE 83.A N ASN 79.A O no hydrogen 2.882 N/A LEU 84.A N GLU 80.A O no hydrogen 2.987 N/A GLN 85.A N LYS 81.A O no hydrogen 2.937 N/A GLN 85.A NE2 LYS 18.A O no hydrogen 3.170 N/A GLN 85.A NE2 ARG 82.A O no hydrogen 2.940 N/A ALA 86.A N ILE 83.A O no hydrogen 3.162 N/A ASN 88.A N TYR 144.A OH no hydrogen 2.930 N/A LEU 92.A N PHE 89.A O no hydrogen 2.917 N/A VAL 93.A N VAL 170.A O no hydrogen 3.067 N/A LYS 94.A N GLU 110.A OE1 no hydrogen 2.969 N/A LYS 94.A NZ ASN 88.A OD1 no hydrogen 2.856 N/A GLU 96.A N VAL 108.A O no hydrogen 2.850 N/A PHE 97.A N VAL 108.A O no hydrogen 3.257 N/A SER 98.A N THR 26.A OG1 no hydrogen 3.156 N/A PHE 99.A N TYR 106.A O no hydrogen 3.315 N/A LYS 100.A N ASN 25.A OD1 no hydrogen 2.968 N/A LYS 100.A NZ PHE 318.A O no hydrogen 2.929 N/A LYS 100.A NZ PHE 321.A O no hydrogen 3.146 N/A ASP 101.A N ASN 104.A O no hydrogen 2.825 N/A SER 103.A N ASP 101.A OD1 no hydrogen 3.142 N/A ASN 104.A N ASP 101.A OD1 no hydrogen 2.797 N/A LEU 105.A N LEU 63.A O no hydrogen 2.854 N/A TYR 106.A N PHE 99.A O no hydrogen 2.759 N/A TYR 106.A OH ASP 101.A OD2 no hydrogen 2.793 N/A MET 107.A N LYS 61.A O no hydrogen 2.859 N/A VAL 108.A N PHE 97.A O no hydrogen 2.775 N/A MET 109.A N ALA 59.A O no hydrogen 2.819 N/A GLU 110.A N LYS 94.A O no hydrogen 3.190 N/A MET 117.A N LEU 160.A O no hydrogen 2.773 N/A HIS 120.A N GLU 116.A O no hydrogen 3.256 N/A LEU 121.A N MET 117.A O no hydrogen 2.887 N/A ARG 122.A N PHE 118.A O no hydrogen 3.181 N/A ARG 123.A N HIS 120.A O no hydrogen 3.239 N/A ILE 124.A N HIS 120.A O no hydrogen 2.947 N/A GLY 125.A N LEU 121.A O no hydrogen 2.774 N/A PHE 127.A N MET 218.A O no hydrogen 2.807 N/A HIS 130.A NE2 TYR 134.A OH no hydrogen 2.801 N/A ARG 132.A N GLU 128.A O no hydrogen 2.798 N/A ARG 132.A NE TRP 283.A O no hydrogen 2.769 N/A ARG 132.A NH2 TRP 283.A O no hydrogen 3.090 N/A PHE 133.A N PRO 129.A O no hydrogen 2.951 N/A TYR 134.A N HIS 130.A O no hydrogen 3.324 N/A TYR 134.A OH HIS 130.A NE2 no hydrogen 2.801 N/A ALA 135.A N ALA 131.A O no hydrogen 2.950 N/A ALA 136.A N ARG 132.A O no hydrogen 2.925 N/A GLN 137.A NE2 PHE 133.A O no hydrogen 2.861 N/A ILE 138.A N TYR 134.A O no hydrogen 3.308 N/A VAL 139.A N ALA 135.A O no hydrogen 2.902 N/A LEU 140.A N ALA 136.A O no hydrogen 3.184 N/A THR 141.A N GLN 137.A O no hydrogen 2.887 N/A THR 141.A OG1 GLN 137.A O no hydrogen 2.666 N/A PHE 142.A N ILE 138.A O no hydrogen 2.769 N/A GLU 143.A N VAL 139.A O no hydrogen 2.845 N/A TYR 144.A N LEU 140.A O no hydrogen 2.858 N/A LEU 145.A N THR 141.A O no hydrogen 2.839 N/A HIS 146.A N PHE 142.A O no hydrogen 2.704 N/A HIS 146.A NE2 ASP 207.A OD2 no hydrogen 2.635 N/A SER 147.A N GLU 143.A O no hydrogen 3.305 N/A SER 147.A OG GLU 143.A O no hydrogen 3.557 N/A SER 147.A OG TYR 144.A O no hydrogen 2.713 N/A LEU 148.A N LEU 145.A O no hydrogen 3.008 N/A ASP 149.A N HIS 146.A O no hydrogen 2.795 N/A LEU 150.A N LEU 145.A O no hydrogen 2.895 N/A ILE 151.A N LYS 177.A O no hydrogen 2.747 N/A TYR 152.A N ASP 207.A OD2 no hydrogen 3.088 N/A TYR 152.A OH ASP 172.A O no hydrogen 2.906 N/A ARG 153.A N ASP 207.A OD1 no hydrogen 2.887 N/A ARG 153.A NE PHE 175.A O no hydrogen 2.838 N/A ARG 153.A NH1 TYR 202.A OH no hydrogen 2.906 N/A ARG 153.A NH2 PHE 175.A O no hydrogen 3.124 N/A LYS 156.A NZ GLU 158.A OE2 no hydrogen 3.464 N/A LYS 156.A NZ THR 188.A OG1 no hydrogen 3.233 N/A ASN 159.A N LYS 156.A O no hydrogen 3.100 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.918 N/A ASN 159.A ND2 ASP 154.A OD2 no hydrogen 2.784 N/A LEU 160.A N PRO 157.A O no hydrogen 3.047 N/A LEU 161.A N GLN 169.A O no hydrogen 2.945 N/A ASP 163.A N TYR 167.A O no hydrogen 2.739 N/A GLN 164.A NE2.A LYS 304.A O no hydrogen 3.308 N/A GLN 165.A N ASP 163.A OD1 no hydrogen 2.800 N/A GLY 166.A N ASP 163.A O no hydrogen 2.832 N/A TYR 167.A N ASP 163.A OD1 no hydrogen 2.704 N/A TYR 167.A OH VAL 297.A O no hydrogen 2.725 N/A ILE 168.A N GLN 137.A OE1 no hydrogen 2.618 N/A GLN 169.A N LEU 161.A O no hydrogen 2.830 N/A GLN 169.A NE2 GLU 110.A OE2 no hydrogen 3.216 N/A VAL 170.A N PHE 91.A O no hydrogen 2.733 N/A THR 171.A N ASN 159.A O no hydrogen 3.045 N/A THR 171.A OG1 ASN 159.A O no hydrogen 3.364 N/A GLY 174.A N ASP 172.A OD1 no hydrogen 2.849 N/A LYS 177.A N ILE 151.A O no hydrogen 2.916 N/A ARG 178.A NH1 LEU 148.A O no hydrogen 3.531 N/A VAL 179.A N ASP 149.A O no hydrogen 2.786 N/A LYS 180.A NZ ASP 149.A OD1 no hydrogen 2.826 N/A LYS 180.A NZ ASP 149.A OD2 no hydrogen 3.301 N/A ARG 182.A NH1 LYS 200.A O no hydrogen 2.888 N/A THR 183.A N TYR 202.A O no hydrogen 2.936 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.472 N/A TYR 191.A N THR 188.A O no hydrogen 3.028 N/A TYR 191.A OH GLU 217.A OE1 no hydrogen 2.343 N/A LEU 192.A N PRO 189.A O no hydrogen 3.173 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.929 N/A ILE 196.A N ALA 193.A O no hydrogen 2.872 N/A ILE 197.A N ALA 193.A O no hydrogen 3.469 N/A LEU 198.A N PRO 194.A O no hydrogen 3.004 N/A SER 199.A N ILE 196.A O no hydrogen 3.096 N/A TYR 202.A N THR 183.A O no hydrogen 2.970 N/A ALA 205.A N ASN 203.A OD1 no hydrogen 3.329 N/A VAL 206.A N ASN 203.A O no hydrogen 2.967 N/A ASP 207.A N LYS 204.A O no hydrogen 2.987 N/A TRP 208.A N ALA 205.A O no hydrogen 3.122 N/A TRP 209.A N ALA 205.A O no hydrogen 3.130 N/A ALA 210.A N VAL 206.A O no hydrogen 2.835 N/A LEU 211.A N ASP 207.A O no hydrogen 2.686 N/A GLY 212.A N TRP 208.A O no hydrogen 3.160 N/A VAL 213.A N TRP 209.A O no hydrogen 2.961 N/A LEU 214.A N ALA 210.A O no hydrogen 2.882 N/A ILE 215.A N LEU 211.A O no hydrogen 2.775 N/A TYR 216.A N GLY 212.A O no hydrogen 3.020 N/A TYR 216.A OH ARG 243.A O no hydrogen 2.698 N/A GLU 217.A N VAL 213.A O no hydrogen 2.973 N/A MET 218.A N LEU 214.A O no hydrogen 2.920 N/A ALA 219.A N ILE 215.A O no hydrogen 3.095 N/A ALA 220.A N TYR 216.A O no hydrogen 2.692 N/A GLY 221.A N GLU 217.A O no hydrogen 2.720 N/A ILE 233.A N GLN 229.A O no hydrogen 3.061 N/A TYR 234.A N PRO 230.A O no hydrogen 2.869 N/A GLU 235.A N ILE 231.A O no hydrogen 3.009 N/A LYS 236.A N GLN 232.A O no hydrogen 2.975 N/A LYS 236.A NZ PHE 226.A O no hydrogen 2.746 N/A ILE 237.A N ILE 233.A O no hydrogen 3.154 N/A VAL 238.A N TYR 234.A O no hydrogen 3.111 N/A SER 239.A N GLU 235.A O no hydrogen 3.036 N/A GLY 240.A N LYS 236.A O no hydrogen 2.997 N/A PHE 248.A N PRO 245.A O no hydrogen 3.242 N/A SER 249.A N GLU 128.A OE2 no hydrogen 2.815 N/A SER 249.A OG GLU 128.A OE1 no hydrogen 3.112 N/A LEU 252.A N SER 249.A OG no hydrogen 3.129 N/A LYS 253.A N SER 249.A O no hydrogen 3.188 N/A LYS 253.A NZ PHE 248.A O no hydrogen 3.458 N/A ASP 254.A N SER 250.A O no hydrogen 2.949 N/A LEU 255.A N ASP 251.A O no hydrogen 2.869 N/A LEU 256.A N LEU 252.A O no hydrogen 2.687 N/A ARG 257.A N LYS 253.A O no hydrogen 2.971 N/A ASN 258.A N ASP 254.A O no hydrogen 3.299 N/A ASN 258.A N LEU 255.A O no hydrogen 3.154 N/A LEU 259.A N LEU 255.A O no hydrogen 2.985 N/A LEU 259.A N LEU 256.A O no hydrogen 3.254 N/A LEU 260.A N LEU 256.A O no hydrogen 2.918 N/A ASP 263.A N GLN 261.A OE1 no hydrogen 3.063 N/A THR 265.A N ASP 263.A OD1 no hydrogen 3.033 N/A THR 265.A OG1 ASP 263.A OD1 no hydrogen 2.553 N/A LYS 266.A N ASP 263.A O no hydrogen 2.863 N/A ARG 267.A N ASP 263.A O no hydrogen 3.040 N/A ARG 267.A NE GLN 261.A O no hydrogen 2.814 N/A ARG 267.A NH1 GLU 195.A OE2 no hydrogen 2.852 N/A ARG 267.A NH1 ALA 205.A O no hydrogen 2.809 N/A ARG 267.A NH2 GLU 195.A OE1 no hydrogen 2.931 N/A ARG 267.A NH2 GLU 195.A OE2 no hydrogen 3.240 N/A ARG 267.A NH2 GLN 261.A O no hydrogen 3.034 N/A PHE 268.A N ASN 258.A O no hydrogen 3.052 N/A ASN 270.A ND2 LEU 264.A O no hydrogen 3.619 N/A ASN 273.A ND2 ASP 277.A OD1 no hydrogen 2.883 N/A GLY 274.A N LEU 271.A O no hydrogen 2.766 N/A ASN 276.A N ASN 273.A O no hydrogen 3.421 N/A ASN 276.A ND2 ASN 273.A O no hydrogen 3.542 N/A ILE 278.A N VAL 275.A O no hydrogen 2.727 N/A LYS 279.A N VAL 275.A O no hydrogen 2.797 N/A LYS 279.A NZ GLU 143.A OE1 no hydrogen 2.691 N/A LYS 279.A NZ GLU 143.A OE2 no hydrogen 3.401 N/A ASN 280.A N ASN 276.A O no hydrogen 2.659 N/A HIS 281.A N ILE 278.A O no hydrogen 2.946 N/A HIS 281.A NE2 ASP 254.A OD1 no hydrogen 2.694 N/A LYS 282.A NZ LYS 282.A O no hydrogen 3.102 N/A TRP 283.A N HIS 281.A ND1 no hydrogen 2.797 N/A TRP 283.A NE1 GLU 128.A OE1 no hydrogen 2.835 N/A PHE 284.A N HIS 281.A O no hydrogen 3.007 N/A ALA 285.A N LYS 282.A O no hydrogen 3.146 N/A THR 287.A N PHE 284.A O no hydrogen 3.034 N/A TRP 289.A NE1 LYS 279.A O no hydrogen 3.190 N/A ALA 291.A N ASP 288.A OD1 no hydrogen 3.420 N/A ILE 292.A N ASP 288.A O no hydrogen 2.770 N/A TYR 293.A N TRP 289.A O no hydrogen 2.924 N/A GLN 294.A N ILE 290.A O no hydrogen 2.972 N/A ARG 295.A N ILE 292.A O no hydrogen 2.961 N/A ARG 295.A NH2 ASP 163.A OD2 no hydrogen 2.813 N/A ARG 295.A NH2 GLN 165.A OE1 no hydrogen 3.012 N/A LYS 296.A N ALA 291.A O no hydrogen 2.967 N/A LYS 313.A N ASN 102.A O no hydrogen 2.714 N/A GLU 317.A N GLU 317.A OE1 no hydrogen 2.728 N/A PHE 318.A N CYS 314.A O no hydrogen 3.356 N/A SER 319.A N LYS 316.A O no hydrogen 3.330 N/A SER 319.A OG LYS 316.A O no hydrogen 3.381 N/A PHE 321.A N PHE 318.A O no hydrogen 2.800 N/A