Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r5d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 SER 2.A O no hydrogen 2.736 N/A PHE 4.A N LEU 92.A O no hydrogen 2.830 N/A PHE 4.A N ALA 93.A O no hydrogen 3.320 N/A SER 5.A N LEU 92.A O no hydrogen 3.392 N/A SER 5.A OG LEU 28.A O no hydrogen 2.798 N/A LEU 6.A N LEU 28.A O no hydrogen 3.021 N/A ALA 7.A N THR 90.A O no hydrogen 3.120 N/A GLY 9.A N VAL 88.A O no hydrogen 3.010 N/A VAL 10.A N PHE 23.A O no hydrogen 2.925 N/A GLY 11.A N PRO 86.A O no hydrogen 3.068 N/A THR 12.A N GLU 21.A O no hydrogen 2.967 N/A THR 12.A OG1 GLU 21.A OE1 no hydrogen 3.399 N/A ASN 14.A N ALA 18.A O no hydrogen 3.070 N/A ASN 14.A ND2 ASP 142.A OD2 no hydrogen 2.715 N/A ARG 15.A N GLU 145.A OE2 no hydrogen 2.987 N/A GLN 16.A N ASN 14.A OD1 no hydrogen 2.991 N/A GLU 17.A N ASN 14.A O no hydrogen 3.320 N/A ALA 18.A N ASN 14.A OD1 no hydrogen 2.904 N/A LEU 20.A N THR 12.A O no hydrogen 2.794 N/A PHE 23.A N VAL 10.A O no hydrogen 2.771 N/A TYR 24.A N HIS 109.A NE2 no hydrogen 3.083 N/A TYR 24.A OH THR 90.A OG1.A no hydrogen 2.892 N/A TYR 24.A OH ALA 102.A O no hydrogen 2.652 N/A LEU 28.A N LEU 6.A O no hydrogen 2.915 N/A LYS 30.A N PHE 4.A O no hydrogen 2.816 N/A ILE 35.A N SER 32.A O no hydrogen 3.009 N/A VAL 36.A N SER 32.A O no hydrogen 3.288 N/A ALA 37.A N SER 33.A O no hydrogen 2.896 N/A ALA 38.A N GLU 34.A O no hydrogen 3.147 N/A VAL 39.A N VAL 36.A O no hydrogen 2.899 N/A ALA 40.A N VAL 36.A O no hydrogen 2.638 N/A LEU 43.A N VAL 39.A O no hydrogen 3.367 N/A GLY 44.A N ALA 40.A O no hydrogen 2.904 N/A TYR 45.A N ALA 40.A O no hydrogen 2.973 N/A TYR 45.A OH GLY 48.A O no hydrogen 2.795 N/A ASN 49.A ND2 GLU 94.A O no hydrogen 2.603 N/A ASN 49.A ND2 GLU 103.A OE1 no hydrogen 3.570 N/A GLN 50.A N LEU 91.A O no hydrogen 2.924 N/A LEU 52.A N ALA 89.A O no hydrogen 2.602 N/A PHE 54.A N LEU 87.A O no hydrogen 3.383 N/A THR 55.A OG1 GLN 57.A OE1 no hydrogen 2.973 N/A SER 56.A OG ALA 81.A O no hydrogen 2.565 N/A ALA 59.A N THR 55.A O no hydrogen 3.239 N/A TYR 60.A N SER 56.A O no hydrogen 3.315 N/A TYR 60.A OH GLU 82.A OE1 no hydrogen 2.712 N/A GLN 61.A N GLN 57.A O no hydrogen 3.048 N/A LEU 62.A N GLN 58.A O no hydrogen 2.712 N/A ALA 63.A N ALA 59.A O no hydrogen 2.975 N/A ASP 64.A N TYR 60.A O no hydrogen 2.887 N/A ALA 65.A N GLN 61.A O no hydrogen 2.850 N/A LEU 66.A N LEU 62.A O no hydrogen 3.076 N/A LEU 66.A N ALA 63.A O no hydrogen 3.182 N/A LYS 67.A N ALA 63.A O no hydrogen 2.942 N/A ILE 69.A N LEU 66.A O no hydrogen 3.166 N/A ASP 70.A N LEU 66.A O no hydrogen 3.108 N/A GLN 73.A N ASP 70.A OD1 no hydrogen 3.209 N/A GLN 73.A NE2 LEU 26.A O no hydrogen 3.001 N/A SER 74.A N ASP 70.A O no hydrogen 2.933 N/A SER 74.A OG ALA 63.A O no hydrogen 3.081 N/A ALA 75.A N ALA 71.A O no hydrogen 2.775 N/A LEU 76.A N ALA 72.A O no hydrogen 2.796 N/A LEU 77.A N GLN 73.A O no hydrogen 2.953 N/A SER 78.A N SER 74.A O no hydrogen 3.159 N/A ARG 79.A N ALA 75.A O no hydrogen 3.319 N/A LEU 80.A N LEU 76.A O no hydrogen 3.003 N/A ALA 81.A N LEU 77.A O no hydrogen 3.070 N/A GLU 82.A N ARG 79.A O no hydrogen 3.121 N/A SER 83.A N LEU 80.A O no hydrogen 3.081 N/A SER 83.A OG LYS 85.A O no hydrogen 3.187 N/A LYS 85.A N SER 83.A OG no hydrogen 3.038 N/A LYS 85.A NZ GLY 11.A O no hydrogen 3.251 N/A VAL 88.A N GLY 9.A O no hydrogen 3.033 N/A ALA 89.A N LEU 52.A O no hydrogen 2.674 N/A THR 90.A N ALA 7.A O no hydrogen 3.054 N/A THR 90.A OG1.A TYR 24.A OH no hydrogen 2.892 N/A THR 90.A OG1.B ALA 7.A O no hydrogen 2.885 N/A LEU 91.A N GLN 50.A O no hydrogen 2.994 N/A LEU 92.A N SER 5.A O no hydrogen 2.899 N/A ALA 93.A N GLY 48.A O no hydrogen 3.203 N/A GLU 94.A N ASN 49.A OD1 no hydrogen 3.033 N/A SER 99.A N GLU 103.A OE2 no hydrogen 2.791 N/A SER 99.A OG GLU 103.A OE2 no hydrogen 3.104 N/A THR 101.A OG1 LEU 129.A O no hydrogen 2.473 N/A GLU 103.A N SER 100.A OG no hydrogen 3.065 N/A ALA 104.A N SER 100.A O no hydrogen 2.921 N/A TYR 105.A N THR 101.A O no hydrogen 2.840 N/A TYR 105.A OH LEU 20.A O no hydrogen 3.135 N/A LEU 106.A N ALA 102.A O no hydrogen 2.960 N/A LYS 107.A N GLU 103.A O no hydrogen 3.109 N/A LYS 107.A NZ ASP 95.A OD1 no hydrogen 2.717 N/A LYS 107.A NZ ALA 96.A O no hydrogen 2.586 N/A LYS 107.A NZ ASN 122.A O no hydrogen 2.463 N/A LEU 108.A N ALA 104.A O no hydrogen 3.244 N/A HIS 109.A N TYR 105.A O no hydrogen 3.027 N/A HIS 109.A ND1 TYR 105.A O no hydrogen 2.737 N/A LEU 110.A N LEU 106.A O no hydrogen 2.901 N/A LEU 111.A N LYS 107.A O no hydrogen 3.326 N/A SER 112.A N LEU 108.A O no hydrogen 3.085 N/A SER 112.A OG ALA 192.A O no hydrogen 2.775 N/A HIS 113.A N HIS 109.A O no hydrogen 2.814 N/A HIS 113.A ND1 HIS 109.A O no hydrogen 3.048 N/A ARG 114.A N LEU 111.A O no hydrogen 2.879 N/A ARG 114.A NE ILE 194.A O no hydrogen 3.117 N/A ARG 114.A NH1 ALA 178.A O no hydrogen 3.003 N/A ARG 114.A NH2 ALA 178.A O no hydrogen 2.696 N/A ARG 114.A NH2 ILE 194.A O no hydrogen 2.724 N/A LEU 115.A N LEU 110.A O no hydrogen 2.869 N/A VAL 116.A N LEU 110.A O no hydrogen 3.204 N/A HIS 119.A N ASN 209.A OD1 no hydrogen 3.027 N/A HIS 119.A NE2 GLY 225.A O no hydrogen 2.605 N/A ALA 120.A N LYS 117.A O no hydrogen 3.050 N/A ASN 122.A N ASP 95.A OD1 no hydrogen 2.881 N/A ASN 122.A N ASP 95.A OD2 no hydrogen 3.309 N/A SER 124.A N ASN 122.A OD1 no hydrogen 2.925 N/A ILE 126.A N LEU 123.A O no hydrogen 3.152 N/A LEU 129.A N ILE 126.A O no hydrogen 2.989 N/A LEU 130.A N PHE 127.A O no hydrogen 3.393 N/A VAL 133.A N ASP 166.A O no hydrogen 3.183 N/A ALA 134.A N VAL 141.A O no hydrogen 3.016 N/A TRP 135.A N SER 164.A O no hydrogen 2.798 N/A TRP 135.A NE1 ASP 166.A O no hydrogen 3.071 N/A THR 136.A N GLY 139.A O no hydrogen 2.815 N/A THR 136.A OG1 GLY 139.A O no hydrogen 2.700 N/A ASN 137.A N GLU 161.A O no hydrogen 3.300 N/A ILE 138.A N THR 136.A OG1 no hydrogen 3.140 N/A GLY 139.A N THR 136.A O no hydrogen 3.088 N/A VAL 141.A N ALA 134.A O no hydrogen 2.907 N/A ALA 144.A N ASP 142.A OD1 no hydrogen 2.868 N/A GLU 145.A N ASP 142.A O no hydrogen 3.015 N/A LEU 146.A N LEU 143.A O no hydrogen 3.354 N/A GLN 150.A N LEU 146.A O no hydrogen 2.928 N/A LEU 151.A N ALA 147.A O no hydrogen 2.993 N/A GLU 152.A N GLU 148.A O no hydrogen 3.014 N/A ALA 153.A N LEU 149.A O no hydrogen 3.080 N/A ARG 154.A N GLN 150.A O no hydrogen 3.188 N/A LEU 155.A N LEU 151.A O no hydrogen 3.124 N/A LYS 156.A N ALA 153.A O no hydrogen 3.311 N/A GLY 157.A N ARG 154.A O no hydrogen 2.990 N/A LYS 158.A N ALA 153.A O no hydrogen 2.990 N/A PHE 163.A N TRP 135.A O no hydrogen 3.114 N/A ASP 166.A N VAL 133.A O no hydrogen 2.993 N/A LYS 167.A N ASP 166.A OD1 no hydrogen 2.757 N/A LYS 167.A NZ PHE 127.A O no hydrogen 2.226 N/A LYS 167.A NZ LEU 130.A O no hydrogen 2.626 N/A LYS 170.A NZ ASP 173.A OD2 no hydrogen 2.856 N/A MET 171.A N VAL 188.A O no hydrogen 2.968 N/A ASP 173.A N LYS 170.A O no hydrogen 3.138 N/A TYR 174.A N MET 171.A O no hydrogen 2.999 N/A TYR 174.A OH GLU 21.A OE2 no hydrogen 2.805 N/A VAL 175.A N MET 171.A O no hydrogen 2.827 N/A ARG 181.A N THR 198.A O no hydrogen 3.069 N/A ALA 183.A N VAL 200.A O no hydrogen 3.017 N/A ALA 186.A N ASP 184.A OD1 no hydrogen 2.974 N/A ARG 187.A N ASP 184.A O no hydrogen 3.224 N/A VAL 188.A N THR 185.A O no hydrogen 3.328 N/A ARG 189.A N VAL 206.A O no hydrogen 3.050 N/A ARG 189.A NH1 ASN 207.A OD1 no hydrogen 2.792 N/A ARG 189.A NH2 ASP 166.A OD1 no hydrogen 3.518 N/A ARG 189.A NH2 ASP 166.A OD2 no hydrogen 2.902 N/A LEU 190.A N PRO 169.A O no hydrogen 2.982 N/A GLY 191.A N SER 112.A OG no hydrogen 2.885 N/A ALA 192.A N ARG 189.A O no hydrogen 2.975 N/A TYR 193.A N ALA 210.A O no hydrogen 2.956 N/A GLY 195.A N THR 212.A OG1 no hydrogen 3.064 N/A GLY 197.A N GLY 179.A O no hydrogen 2.883 N/A THR 198.A N GLY 195.A O no hydrogen 3.055 N/A THR 198.A OG1 GLY 195.A O no hydrogen 2.710 N/A THR 198.A OG1 THR 212.A OG1 no hydrogen 2.670 N/A THR 199.A N GLY 216.A O no hydrogen 2.836 N/A VAL 200.A N ARG 181.A O no hydrogen 2.961 N/A MET 201.A N ILE 218.A O no hydrogen 2.983 N/A GLY 204.A N MET 201.A O no hydrogen 3.046 N/A PHE 205.A N GLY 220.A O no hydrogen 2.958 N/A VAL 206.A N ARG 187.A O no hydrogen 2.868 N/A ASN 207.A N VAL 222.A O no hydrogen 3.138 N/A PHE 208.A N ASN 207.A OD1 no hydrogen 2.701 N/A ASN 209.A N GLY 191.A O no hydrogen 2.886 N/A GLY 211.A N VAL 226.A O no hydrogen 2.988 N/A THR 212.A N TYR 193.A O no hydrogen 2.897 N/A THR 212.A OG1 THR 198.A OG1 no hydrogen 2.670 N/A GLU 213.A N VAL 228.A O no hydrogen 2.890 N/A GLY 216.A N GLY 197.A O no hydrogen 2.901 N/A MET 217.A N ASP 233.A OD1 no hydrogen 3.018 N/A ILE 218.A N THR 199.A O no hydrogen 2.936 N/A GLU 219.A N LEU 234.A O no hydrogen 2.825 N/A ARG 221.A N CYS 238.A O no hydrogen 2.821 N/A VAL 222.A N PHE 205.A O no hydrogen 2.726 N/A SER 223.A N THR 240.A OG1 no hydrogen 2.913 N/A SER 223.A OG THR 240.A O no hydrogen 2.991 N/A GLY 225.A N ASN 209.A O no hydrogen 2.923 N/A VAL 226.A N SER 223.A O no hydrogen 2.966 N/A VAL 228.A N GLY 211.A O no hydrogen 2.770 N/A GLY 229.A N VAL 248.A O no hydrogen 2.792 N/A LYS 230.A N GLU 213.A OE1 no hydrogen 2.919 N/A GLY 231.A N PRO 215.A O no hydrogen 2.784 N/A SER 232.A OG GLY 229.A O no hydrogen 3.232 N/A SER 232.A OG GLY 249.A O no hydrogen 2.659 N/A ASP 233.A N CYS 252.A O no hydrogen 2.898 N/A LEU 234.A N MET 217.A O no hydrogen 2.856 N/A GLY 235.A N ILE 254.A O no hydrogen 2.740 N/A GLY 237.A N GLU 219.A O no hydrogen 3.012 N/A CYS 238.A N GLY 235.A O no hydrogen 3.400 N/A CYS 238.A SG GLY 235.A O no hydrogen 3.770 N/A SER 239.A N ALA 258.A O no hydrogen 2.905 N/A SER 239.A OG THR 240.A O no hydrogen 3.040 N/A THR 240.A N ARG 221.A O no hydrogen 3.178 N/A THR 240.A OG1 ARG 221.A O no hydrogen 2.928 N/A VAL 248.A N PHE 227.A O no hydrogen 2.950 N/A GLY 249.A N LEU 264.A O no hydrogen 2.730 N/A GLU 250.A N ASP 266.A OD1 no hydrogen 3.027 N/A GLY 251.A N LYS 230.A O no hydrogen 2.828 N/A CYS 252.A N SER 232.A OG no hydrogen 2.767 N/A CYS 252.A SG GLY 249.A O no hydrogen 3.793 N/A CYS 252.A SG GLU 250.A O no hydrogen 4.032 N/A CYS 252.A SG GLY 265.A O no hydrogen 3.238 N/A CYS 252.A SG ASN 268.A O no hydrogen 3.528 N/A LEU 253.A N ASN 268.A O no hydrogen 3.009 N/A ILE 254.A N ASP 233.A O no hydrogen 2.962 N/A GLY 255.A N VAL 270.A O no hydrogen 2.869 N/A ASN 257.A N GLY 236.A O no hydrogen 3.032 N/A ALA 258.A N GLY 255.A O no hydrogen 3.246 N/A GLY 259.A N LEU 274.A O no hydrogen 3.108 N/A ILE 260.A N SER 239.A O no hydrogen 3.062 N/A GLY 261.A N ILE 276.A O no hydrogen 2.807 N/A LEU 264.A N SER 247.A O no hydrogen 2.983 N/A ARG 267.A N GLU 250.A O no hydrogen 2.665 N/A ARG 267.A NE ASP 304.A OD1 no hydrogen 3.131 N/A ARG 267.A NE ASP 304.A OD2 no hydrogen 3.479 N/A ILE 269.A N LEU 305.A O no hydrogen 2.732 N/A VAL 270.A N LEU 253.A O no hydrogen 2.846 N/A GLU 271.A N PHE 307.A O no hydrogen 2.840 N/A LEU 274.A N GLU 271.A O no hydrogen 3.371 N/A TYR 275.A OH ASN 257.A O no hydrogen 3.261 N/A ILE 276.A N GLY 259.A O no hydrogen 3.108 N/A THR 277.A N THR 280.A OG1 no hydrogen 2.752 N/A THR 277.A OG1 THR 280.A OG1 no hydrogen 3.071 N/A THR 280.A N THR 277.A O no hydrogen 3.146 N/A THR 280.A OG1 THR 277.A O no hydrogen 2.937 N/A THR 280.A OG1 THR 277.A OG1 no hydrogen 3.071 N/A VAL 282.A N VAL 294.A O no hydrogen 2.719 N/A ALA 283.A N VAL 316.A O no hydrogen 2.705 N/A LEU 284.A N LYS 292.A O no hydrogen 3.245 N/A LEU 285.A N CYS 318.A O no hydrogen 2.728 N/A ASP 286.A N ALA 289.A O no hydrogen 2.869 N/A ALA 289.A N ASP 286.A OD1 no hydrogen 2.929 N/A VAL 291.A N LEU 284.A O no hydrogen 3.195 N/A VAL 294.A N VAL 282.A O no hydrogen 3.178 N/A ALA 296.A N THR 280.A O no hydrogen 2.808 N/A ARG 297.A N ALA 278.A O no hydrogen 2.905 N/A ASP 298.A N LYS 295.A O no hydrogen 2.946 N/A LEU 299.A N ALA 296.A O no hydrogen 2.928 N/A ALA 300.A N ARG 297.A O no hydrogen 3.299 N/A GLY 301.A N PRO 263.A O no hydrogen 3.160 N/A ASP 304.A N ASP 266.A O no hydrogen 2.931 N/A LEU 305.A N ASN 268.A OD1 no hydrogen 3.301 N/A PHE 307.A N ILE 269.A O no hydrogen 3.048 N/A ARG 308.A N GLU 317.A O no hydrogen 2.916 N/A ARG 309.A N GLU 271.A OE1 no hydrogen 2.511 N/A ARG 309.A NE GLY 314.A O no hydrogen 3.313 N/A ASN 310.A N ALA 315.A O no hydrogen 2.834 N/A GLY 314.A N ASN 310.A O no hydrogen 2.719 N/A ALA 315.A N ASN 313.A OD1 no hydrogen 3.499 N/A GLU 317.A N ARG 308.A O no hydrogen 2.888 N/A CYS 318.A N ALA 283.A O no hydrogen 3.108 N/A LYS 319.A N LEU 306.A O no hydrogen 2.951 N/A THR 320.A OG1 LEU 285.A O no hydrogen 3.381 N/A