Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lya_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N SER 61.A O no hydrogen 2.806 N/A ARG 6.A N ASN 4.A OD1 no hydrogen 3.002 N/A ARG 6.A NH1 THR 45.A OG1 no hydrogen 2.803 N/A ASP 7.A N ASN 4.A O no hydrogen 3.115 N/A ILE 8.A N MET 47.A O no hydrogen 2.851 N/A ASP 9.A N LYS 64.A O no hydrogen 3.050 N/A ILE 10.A N HIS 49.A O no hydrogen 2.957 N/A ASN 11.A N LEU 66.A O no hydrogen 2.935 N/A VAL 13.A N ILE 68.A O no hydrogen 2.736 N/A LYS 15.A NZ ILE 52.A O no hydrogen 3.283 N/A ASN 18.A ND2 ASN 72.A OD1 no hydrogen 2.124 N/A GLN 25.A NE2 CYS 81.A O no hydrogen 3.140 N/A SER 27.A OG PRO 23.A O no hydrogen 3.533 N/A TYR 28.A OH GLN 108.A O no hydrogen 2.592 N/A ALA 29.A N GLN 25.A O no hydrogen 3.311 N/A ILE 30.A N LEU 26.A O no hydrogen 2.896 N/A GLY 31.A N SER 27.A O no hydrogen 3.007 N/A VAL 32.A N TYR 28.A O no hydrogen 2.970 N/A GLY 33.A N ALA 29.A O no hydrogen 2.970 N/A ASP 34.A N ILE 30.A O no hydrogen 2.847 N/A LEU 35.A N GLY 31.A O no hydrogen 2.888 N/A VAL 36.A N VAL 32.A O no hydrogen 2.807 N/A ALA 37.A N GLY 33.A O no hydrogen 3.063 N/A THR 38.A N ASP 34.A O no hydrogen 3.114 N/A THR 38.A OG1 ASP 34.A O no hydrogen 3.131 N/A SER 39.A N LEU 35.A O no hydrogen 2.985 N/A SER 39.A OG LEU 35.A O no hydrogen 2.700 N/A LEU 40.A N VAL 36.A O no hydrogen 3.060 N/A ASN 41.A N ALA 37.A O no hydrogen 2.992 N/A ASN 41.A ND2 VAL 48.A O no hydrogen 3.059 N/A THR 42.A N THR 38.A O no hydrogen 2.946 N/A THR 42.A N SER 39.A O no hydrogen 3.216 N/A THR 42.A OG1 THR 38.A O no hydrogen 2.599 N/A PHE 43.A N SER 39.A O no hydrogen 2.840 N/A SER 44.A N LEU 40.A O no hydrogen 2.981 N/A SER 44.A OG LEU 40.A O no hydrogen 2.790 N/A PHE 46.A N SER 44.A OG no hydrogen 3.009 N/A MET 47.A N ARG 6.A O no hydrogen 2.880 N/A VAL 48.A N ASN 41.A OD1 no hydrogen 2.643 N/A HIS 49.A N ILE 8.A O no hydrogen 2.812 N/A ASP 50.A N LEU 288.A O no hydrogen 3.041 N/A LYS 51.A N ILE 10.A O no hydrogen 2.785 N/A LYS 51.A NZ ASP 9.A OD2 no hydrogen 3.149 N/A ILE 52.A N ASP 50.A OD1 no hydrogen 3.252 N/A TYR 54.A N LYS 51.A O no hydrogen 3.196 N/A SER 60.A OG ASP 9.A OD2 no hydrogen 3.176 N/A SER 61.A OG ASP 7.A OD1 no hydrogen 3.009 N/A SER 62.A N SER 60.A OG no hydrogen 3.226 N/A SER 62.A OG ASP 7.A OD2 no hydrogen 2.952 N/A SER 62.A OG ASP 9.A OD1 no hydrogen 2.638 N/A GLY 63.A N ASN 4.A O no hydrogen 2.856 N/A LYS 64.A N ASP 7.A O no hydrogen 3.339 N/A LYS 64.A NZ PRO 5.A O no hydrogen 2.945 N/A THR 65.A N VAL 88.A O no hydrogen 3.020 N/A LEU 66.A N ASP 9.A O no hydrogen 2.725 N/A SER 67.A N LYS 86.A O no hydrogen 2.802 N/A ILE 68.A N ASN 11.A O no hydrogen 2.918 N/A ALA 69.A N SER 84.A O no hydrogen 2.787 N/A VAL 71.A N PHE 82.A O no hydrogen 2.740 N/A ASN 72.A ND2 ASN 72.A O no hydrogen 2.402 N/A GLN 75.A N GLN 73.A O no hydrogen 2.341 N/A ARG 77.A N ARG 74.A O no hydrogen 2.055 N/A CYS 81.A SG SER 19.A O no hydrogen 3.010 N/A CYS 81.A SG GLN 79.A O no hydrogen 3.812 N/A PHE 82.A N VAL 71.A O no hydrogen 2.621 N/A MET 83.A N TYR 101.A O no hydrogen 2.549 N/A SER 84.A N ALA 69.A O no hydrogen 2.628 N/A ILE 85.A N LYS 99.A O no hydrogen 2.891 N/A LYS 86.A N SER 67.A O no hydrogen 2.972 N/A LYS 86.A NZ ASP 98.A OD1 no hydrogen 3.304 N/A LYS 86.A NZ ASP 98.A OD2 no hydrogen 2.717 N/A LEU 87.A N LEU 97.A O no hydrogen 2.917 N/A VAL 88.A N THR 65.A O no hydrogen 2.891 N/A ASP 89.A N SER 94.A O no hydrogen 2.866 N/A ASN 90.A N GLY 63.A O no hydrogen 2.700 N/A ASN 90.A ND2 SER 62.A O no hydrogen 3.019 N/A ASN 90.A ND2 THR 65.A OG1 no hydrogen 2.843 N/A ALA 91.A N ASP 89.A OD1 no hydrogen 2.866 N/A GLY 93.A N ASP 89.A O no hydrogen 2.617 N/A SER 94.A N ASP 92.A OD1 no hydrogen 2.728 N/A SER 94.A OG ASP 92.A OD1 no hydrogen 2.845 N/A MET 96.A N LEU 87.A O no hydrogen 2.812 N/A LYS 99.A N ILE 85.A O no hydrogen 2.855 N/A TYR 101.A N MET 83.A O no hydrogen 2.893 N/A TYR 101.A OH ASP 114.A OD2 no hydrogen 3.007 N/A THR 104.A N ASN 107.A OD1 no hydrogen 2.885 N/A ASN 107.A ND2 VAL 102.A O no hydrogen 2.827 N/A GLN 108.A N GLN 108.A OE1 no hydrogen 2.801 N/A GLN 108.A NE2 ASN 105.A O no hydrogen 3.646 N/A ILE 111.A N ASN 107.A O no hydrogen 2.815 N/A GLN 112.A N GLN 108.A O no hydrogen 3.315 N/A ASN 113.A N LEU 109.A O no hydrogen 2.719 N/A ASP 114.A N ALA 110.A O no hydrogen 2.921 N/A LEU 115.A N ILE 111.A O no hydrogen 2.913 N/A LEU 116.A N GLN 112.A O no hydrogen 3.002 N/A GLU 117.A N ASN 113.A O no hydrogen 2.914 N/A SER 118.A N ASP 114.A O no hydrogen 3.059 N/A SER 118.A OG ASP 114.A O no hydrogen 2.720 N/A LEU 119.A N LEU 115.A O no hydrogen 2.907 N/A SER 120.A N LEU 116.A O no hydrogen 3.010 N/A SER 120.A OG GLN 125.A O no hydrogen 3.135 N/A LYS 121.A N GLU 117.A O no hydrogen 3.302 N/A ALA 122.A N SER 118.A O no hydrogen 3.077 N/A LEU 123.A N LEU 119.A O no hydrogen 2.994 N/A ASN 124.A N LYS 121.A O no hydrogen 2.937 N/A GLN 125.A N SER 120.A O no hydrogen 2.680 N/A GLN 125.A NE2 PRO 126.A O no hydrogen 3.035 N/A TRP 127.A NE1 LEU 116.A O no hydrogen 3.091 N/A GLN 132.A N PRO 128.A O no hydrogen 3.150 N/A GLN 132.A NE2 TRP 127.A O no hydrogen 2.758 N/A GLU 133.A N GLN 129.A O no hydrogen 3.008 N/A THR 134.A N ARG 130.A O no hydrogen 2.936 N/A THR 134.A OG1 ARG 130.A O no hydrogen 2.802 N/A LEU 135.A N MET 131.A O no hydrogen 2.825 N/A GLN 136.A N GLN 132.A O no hydrogen 3.132 N/A LYS 137.A N GLU 133.A O no hydrogen 3.066 N/A LYS 137.A N THR 134.A O no hydrogen 2.857 N/A ILE 138.A N THR 134.A O no hydrogen 2.983 N/A ARG 142.A NH1 GLU 180.A OE2 no hydrogen 3.564 N/A LEU 146.A N ARG 142.A O no hydrogen 3.152 N/A THR 147.A N GLY 143.A O no hydrogen 2.956 N/A THR 147.A OG1 GLY 143.A O no hydrogen 3.469 N/A ASN 148.A N ALA 144.A O no hydrogen 3.137 N/A ASN 148.A ND2 ALA 144.A O no hydrogen 3.014 N/A PHE 149.A N LEU 145.A O no hydrogen 2.834 N/A TYR 150.A N LEU 146.A O no hydrogen 2.927 N/A TYR 150.A OH GLN 112.A OE1 no hydrogen 2.616 N/A GLN 151.A N THR 147.A O no hydrogen 3.055 N/A GLN 151.A NE2 TYR 155.A OH no hydrogen 2.923 N/A ALA 152.A N ASN 148.A O no hydrogen 2.916 N/A HIS 153.A N PHE 149.A O no hydrogen 2.892 N/A HIS 153.A NE2 ASP 34.A OD2 no hydrogen 2.431 N/A ASP 154.A N TYR 150.A O no hydrogen 2.802 N/A TYR 155.A N GLN 151.A O no hydrogen 3.097 N/A LEU 156.A N ALA 152.A O no hydrogen 2.889 N/A LEU 157.A N HIS 153.A O no hydrogen 2.988 N/A HIS 158.A N ASP 154.A O no hydrogen 3.418 N/A GLY 159.A N TYR 155.A O no hydrogen 3.417 N/A SER 163.A N ASP 160.A OD1 no hydrogen 2.832 N/A SER 163.A OG ASP 160.A OD1 no hydrogen 3.003 N/A SER 163.A OG ASP 160.A OD2 no hydrogen 2.974 N/A LEU 164.A N ASP 160.A O no hydrogen 2.848 N/A ASN 165.A N ASP 161.A O no hydrogen 2.880 N/A ARG 166.A N LYS 162.A O no hydrogen 2.930 N/A ALA 167.A N SER 163.A O no hydrogen 2.832 N/A SER 168.A N LEU 164.A O no hydrogen 2.879 N/A SER 168.A OG ASP 192.A OD1 no hydrogen 2.416 N/A GLU 169.A N ASN 165.A O no hydrogen 2.882 N/A LEU 170.A N ARG 166.A O no hydrogen 2.843 N/A LEU 171.A N ALA 167.A O no hydrogen 2.841 N/A GLY 172.A N SER 168.A O no hydrogen 3.123 N/A GLU 173.A N GLU 169.A O no hydrogen 2.980 N/A ILE 174.A N LEU 170.A O no hydrogen 2.983 N/A VAL 175.A N LEU 171.A O no hydrogen 2.958 N/A GLN 176.A N GLY 172.A O no hydrogen 2.879 N/A SER 177.A N GLU 173.A O no hydrogen 3.117 N/A SER 177.A OG ILE 174.A O no hydrogen 2.922 N/A SER 177.A OG SER 178.A OG no hydrogen 2.704 N/A SER 178.A N ILE 174.A O no hydrogen 2.758 N/A SER 178.A N VAL 175.A O no hydrogen 3.073 N/A SER 178.A OG SER 177.A OG no hydrogen 2.704 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.496 N/A PHE 181.A N SER 178.A O no hydrogen 3.007 N/A THR 182.A OG1 GLU 180.A O no hydrogen 3.340 N/A THR 182.A OG1 GLU 221.A OE2 no hydrogen 3.535 N/A ALA 184.A N PHE 181.A O no hydrogen 3.208 N/A ALA 186.A N THR 182.A O no hydrogen 3.124 N/A GLU 187.A N TYR 183.A O no hydrogen 2.863 N/A LYS 188.A N ALA 184.A O no hydrogen 2.930 N/A LYS 188.A NZ ASP 192.A OD2 no hydrogen 2.803 N/A ALA 189.A N ARG 185.A O no hydrogen 2.940 N/A LEU 190.A N ALA 186.A O no hydrogen 3.001 N/A VAL 191.A N GLU 187.A O no hydrogen 2.899 N/A ASP 192.A N LYS 188.A O no hydrogen 2.774 N/A ILE 193.A N ALA 189.A O no hydrogen 2.881 N/A VAL 194.A N LEU 190.A O no hydrogen 3.204 N/A ARG 195.A N VAL 191.A O no hydrogen 2.841 N/A ARG 195.A NE ASN 165.A OD1 no hydrogen 2.649 N/A ARG 195.A NH1 ASP 192.A OD1 no hydrogen 3.017 N/A ARG 195.A NH2 ASN 165.A OD1 no hydrogen 3.151 N/A HIS 196.A N ASP 192.A O no hydrogen 2.987 N/A SER 197.A N ILE 193.A O no hydrogen 3.142 N/A SER 197.A N VAL 194.A O no hydrogen 3.242 N/A SER 197.A OG VAL 194.A O no hydrogen 2.616 N/A SER 197.A OG ILE 302.A O no hydrogen 3.472 N/A GLN 198.A N ARG 195.A O no hydrogen 3.111 N/A GLN 198.A NE2 SER 197.A OG no hydrogen 2.682 N/A GLN 198.A NE2 ILE 302.A O no hydrogen 2.833 N/A HIS 199.A N HIS 196.A O no hydrogen 2.815 N/A ASP 202.A N HIS 199.A O no hydrogen 2.996 N/A GLU 203.A N LEU 201.A O no hydrogen 3.034 N/A GLN 205.A N ASP 202.A OD1 no hydrogen 3.017 N/A LEU 206.A N ASP 202.A O no hydrogen 3.026 N/A ALA 207.A N GLU 203.A O no hydrogen 2.913 N/A ALA 208.A N LYS 204.A O no hydrogen 3.007 N/A LEU 209.A N GLN 205.A O no hydrogen 2.940 N/A ASN 210.A N LEU 206.A O no hydrogen 2.886 N/A THR 211.A N ALA 207.A O no hydrogen 3.273 N/A THR 211.A OG1 ALA 207.A O no hydrogen 3.045 N/A GLU 212.A N ALA 208.A O no hydrogen 3.014 N/A ILE 213.A N LEU 209.A O no hydrogen 2.851 N/A ASP 214.A N ASN 210.A O no hydrogen 2.981 N/A ASN 215.A N THR 211.A O no hydrogen 3.009 N/A ILE 216.A N ILE 213.A O no hydrogen 2.749 N/A VAL 217.A N ILE 213.A O no hydrogen 2.915 N/A THR 218.A OG1 ASP 214.A O no hydrogen 3.150 N/A LEU 219.A N ILE 216.A O no hydrogen 3.102 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.738 N/A ASN 223.A N PRO 220.A O no hydrogen 2.994 N/A LEU 225.A N LEU 222.A O no hydrogen 3.221 N/A SER 226.A OG GLY 252.A O no hydrogen 3.098 N/A ILE 228.A N LEU 225.A O no hydrogen 3.392 N/A TYR 229.A N SER 226.A O no hydrogen 2.870 N/A GLN 230.A N SER 226.A O no hydrogen 3.057 N/A GLN 230.A N ILE 227.A O no hydrogen 3.159 N/A GLN 230.A NE2 ASN 261.A OD1 no hydrogen 2.597 N/A ILE 231.A N ILE 227.A O no hydrogen 2.981 N/A LYS 232.A N ILE 228.A O no hydrogen 3.232 N/A ALA 233.A N TYR 229.A O no hydrogen 2.954 N/A VAL 234.A N GLN 230.A O no hydrogen 2.981 N/A SER 235.A N ILE 231.A O no hydrogen 2.965 N/A ALA 236.A N LYS 232.A O no hydrogen 2.882 N/A LEU 237.A N ALA 233.A O no hydrogen 3.030 N/A VAL 238.A N VAL 234.A O no hydrogen 2.968 N/A LYS 239.A N SER 235.A O no hydrogen 3.244 N/A LYS 239.A NZ ASN 210.A OD1 no hydrogen 2.909 N/A GLY 240.A N LEU 237.A O no hydrogen 2.700 N/A LYS 241.A N ALA 236.A O no hydrogen 2.761 N/A SER 245.A N LYS 241.A O no hydrogen 2.970 N/A SER 245.A OG ALA 233.A O no hydrogen 2.580 N/A TYR 246.A N THR 242.A O no hydrogen 3.018 N/A TYR 246.A OH TYR 269.A OH no hydrogen 3.258 N/A GLN 247.A N ASP 243.A O no hydrogen 3.129 N/A ALA 248.A N GLU 244.A O no hydrogen 2.979 N/A ILE 249.A N SER 245.A O no hydrogen 2.843 N/A ASN 250.A N TYR 246.A O no hydrogen 3.034 N/A ASN 250.A ND2 TYR 246.A O no hydrogen 2.983 N/A THR 251.A N GLN 247.A O no hydrogen 3.188 N/A THR 251.A OG1 GLN 247.A O no hydrogen 2.995 N/A GLY 252.A N ALA 248.A O no hydrogen 3.008 N/A ILE 253.A N ILE 249.A O no hydrogen 2.918 N/A ASP 254.A N ASN 250.A O no hydrogen 3.140 N/A LEU 255.A N GLY 252.A O no hydrogen 3.028 N/A GLU 256.A N GLY 252.A O no hydrogen 2.795 N/A GLU 256.A N ILE 253.A O no hydrogen 3.141 N/A MET 257.A N THR 42.A OG1 no hydrogen 2.953 N/A SER 258.A OG GLU 256.A OE1 no hydrogen 2.625 N/A ASN 261.A N SER 258.A OG no hydrogen 3.183 N/A ASN 261.A ND2 SER 226.A OG no hydrogen 2.981 N/A ASN 261.A ND2 GLU 256.A O no hydrogen 2.974 N/A TYR 262.A N SER 258.A O no hydrogen 3.308 N/A VAL 263.A N TRP 259.A O no hydrogen 3.031 N/A LEU 264.A N LEU 260.A O no hydrogen 2.912 N/A LEU 265.A N ASN 261.A O no hydrogen 2.886 N/A GLY 266.A N TYR 262.A O no hydrogen 2.799 N/A LYS 267.A N VAL 263.A O no hydrogen 2.897 N/A LYS 267.A NZ ILE 298.A O no hydrogen 2.685 N/A LYS 267.A NZ GLY 301.A O no hydrogen 3.172 N/A LYS 267.A NZ PHE 303.A O no hydrogen 2.880 N/A LYS 267.A NZ THR 305.A OG1 no hydrogen 2.743 N/A VAL 268.A N LEU 264.A O no hydrogen 2.953 N/A TYR 269.A N LEU 265.A O no hydrogen 2.954 N/A TYR 269.A OH TYR 246.A OH no hydrogen 3.258 N/A GLU 270.A N GLY 266.A O no hydrogen 3.050 N/A MET 271.A N LYS 267.A O no hydrogen 3.075 N/A LYS 272.A N VAL 268.A O no hydrogen 2.991 N/A GLY 273.A N GLU 270.A O no hydrogen 2.692 N/A MET 274.A N TYR 269.A O no hydrogen 2.779 N/A ALA 278.A N MET 274.A O no hydrogen 2.962 N/A ALA 279.A N ASN 275.A O no hydrogen 2.930 N/A ASP 280.A N ARG 276.A O no hydrogen 3.102 N/A ALA 281.A N GLU 277.A O no hydrogen 3.107 N/A TYR 282.A N ALA 278.A O no hydrogen 2.896 N/A TYR 282.A OH GLU 270.A OE2 no hydrogen 2.589 N/A TYR 282.A OH THR 305.A OG1 no hydrogen 3.339 N/A LEU 283.A N ALA 279.A O no hydrogen 2.791 N/A THR 284.A N ASP 280.A O no hydrogen 2.926 N/A THR 284.A OG1 ASP 280.A O no hydrogen 2.695 N/A ALA 285.A N ALA 281.A O no hydrogen 2.791 N/A PHE 286.A N TYR 282.A O no hydrogen 2.904 N/A ASN 287.A N LEU 283.A O no hydrogen 2.961 N/A ASN 287.A ND2 LEU 283.A O no hydrogen 3.055 N/A LEU 288.A N THR 284.A O no hydrogen 2.875 N/A ARG 289.A N ALA 285.A O no hydrogen 3.110 N/A ARG 289.A NH1 ASP 34.A OD1 no hydrogen 3.046 N/A ASN 293.A N ASN 53.A OD1 no hydrogen 2.963 N/A THR 294.A OG1 ARG 289.A O no hydrogen 2.584 N/A LEU 295.A N GLY 291.A O no hydrogen 3.044 N/A TYR 296.A N ALA 292.A O no hydrogen 2.809 N/A TRP 297.A N ASN 293.A O no hydrogen 3.117 N/A TRP 297.A NE1 LEU 156.A O no hydrogen 3.170 N/A ILE 298.A N THR 294.A O no hydrogen 2.905 N/A GLU 299.A N LEU 295.A O no hydrogen 2.906 N/A ASN 300.A N TYR 296.A O no hydrogen 2.797 N/A ASN 300.A ND2 TYR 296.A O no hydrogen 3.385 N/A GLY 301.A N TRP 297.A O no hydrogen 2.959 N/A PHE 303.A N GLY 301.A O no hydrogen 2.757 N/A THR 305.A N GLU 299.A O no hydrogen 2.890 N/A THR 305.A OG1 GLU 270.A OE2 no hydrogen 2.425 N/A THR 305.A OG1 TYR 282.A OH no hydrogen 3.339 N/A THR 305.A OG1 ILE 298.A O no hydrogen 3.395 N/A TYR 309.A N SER 306.A O no hydrogen 3.153 N/A TYR 309.A N SER 306.A OG no hydrogen 3.269 N/A VAL 310.A N SER 306.A O no hydrogen 2.798 N/A VAL 311.A N VAL 307.A O no hydrogen 2.848 N/A LEU 314.A N VAL 311.A O no hydrogen 2.954 N/A LYS 316.A N PRO 312.A O no hydrogen 2.916 N/A PHE 317.A N TYR 313.A O no hydrogen 2.768 N/A LEU 318.A N LEU 314.A O no hydrogen 3.029 N/A