Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 10.A N PRO 6.A O no hydrogen 2.569 N/A THR 10.A OG1 PRO 6.A O no hydrogen 3.060 N/A SER 11.A OG ASP 8.A O no hydrogen 2.701 N/A SER 11.A OG ALA 9.A O no hydrogen 2.493 N/A ARG 15.A NH2 LEU 5.A O no hydrogen 3.334 N/A LYS 16.A N ASP 12.A O no hydrogen 3.323 N/A LYS 16.A NZ ASP 20.A OD2 no hydrogen 3.156 N/A ASN 17.A N GLU 13.A O no hydrogen 2.558 N/A ASN 17.A ND2 SER 93.A O no hydrogen 3.600 N/A LEU 18.A N VAL 14.A O no hydrogen 2.702 N/A MET 19.A N ARG 15.A O no hydrogen 3.070 N/A ASP 20.A N LYS 16.A O no hydrogen 2.958 N/A MET 21.A N ASN 17.A O no hydrogen 3.033 N/A PHE 22.A N LEU 18.A O no hydrogen 3.245 N/A ARG 23.A N MET 19.A O no hydrogen 2.894 N/A ASP 24.A N ASP 20.A O no hydrogen 3.040 N/A ARG 25.A N PHE 22.A O no hydrogen 3.303 N/A ARG 25.A NH1 PHE 22.A O no hydrogen 3.050 N/A ALA 27.A N ASP 24.A O no hydrogen 2.695 N/A PHE 28.A N ARG 25.A O no hydrogen 3.218 N/A HIS 31.A N SER 29.A OG no hydrogen 3.080 N/A TRP 33.A N SER 29.A O no hydrogen 2.969 N/A TRP 33.A NE1 ARG 25.A O no hydrogen 2.875 N/A LYS 34.A N GLU 30.A O no hydrogen 2.742 N/A LYS 34.A NZ GLU 30.A OE2 no hydrogen 2.807 N/A MET 35.A N HIS 31.A O no hydrogen 3.093 N/A LEU 36.A N THR 32.A O no hydrogen 3.017 N/A LEU 37.A N TRP 33.A O no hydrogen 3.087 N/A SER 38.A N LYS 34.A O no hydrogen 2.975 N/A VAL 39.A N MET 35.A O no hydrogen 2.903 N/A CYS 40.A N LEU 36.A O no hydrogen 2.997 N/A CYS 40.A SG LEU 36.A O no hydrogen 3.630 N/A ARG 41.A N LEU 37.A O no hydrogen 3.061 N/A SER 42.A N SER 38.A O no hydrogen 2.869 N/A SER 42.A OG TYR 65.A OH no hydrogen 2.813 N/A TRP 43.A N VAL 39.A O no hydrogen 2.744 N/A TRP 43.A NE1 TRP 54.A O no hydrogen 2.867 N/A ALA 44.A N CYS 40.A O no hydrogen 2.613 N/A ALA 45.A N ARG 41.A O no hydrogen 2.769 N/A TRP 46.A N SER 42.A O no hydrogen 3.120 N/A CYS 47.A N TRP 43.A O no hydrogen 2.818 N/A CYS 47.A SG TRP 43.A O no hydrogen 3.354 N/A LYS 48.A N ALA 44.A O no hydrogen 2.977 N/A LEU 49.A N ALA 45.A O no hydrogen 3.090 N/A ASN 50.A N TRP 46.A O no hydrogen 2.880 N/A ASN 50.A N CYS 47.A O no hydrogen 3.143 N/A ASN 50.A ND2 TRP 46.A O no hydrogen 2.764 N/A ASN 51.A N LYS 48.A O no hydrogen 3.034 N/A ARG 52.A N CYS 47.A O no hydrogen 2.849 N/A ARG 52.A NE ASP 61.A OD1 no hydrogen 2.757 N/A ARG 52.A NH1 ASN 50.A O no hydrogen 3.351 N/A ARG 52.A NH2 ASP 61.A OD1 no hydrogen 3.382 N/A ALA 57.A N HIS 90.A NE2 no hydrogen 2.918 N/A ASP 61.A N GLU 58.A O no hydrogen 3.097 N/A VAL 62.A N GLU 58.A O no hydrogen 3.066 N/A ARG 63.A N PRO 59.A O no hydrogen 2.879 N/A ASP 64.A N GLU 60.A O no hydrogen 3.193 N/A TYR 65.A N ASP 61.A O no hydrogen 2.827 N/A TYR 65.A OH SER 42.A OG no hydrogen 2.813 N/A TYR 65.A OH HIS 82.A ND1 no hydrogen 2.885 N/A LEU 66.A N VAL 62.A O no hydrogen 2.877 N/A LEU 67.A N ARG 63.A O no hydrogen 2.973 N/A TYR 68.A N ASP 64.A O no hydrogen 2.823 N/A LEU 69.A N TYR 65.A O no hydrogen 2.914 N/A GLN 70.A N LEU 66.A O no hydrogen 3.132 N/A GLN 70.A NE2 GLU 114.A OE1 no hydrogen 3.341 N/A GLN 70.A NE2 ASN 115.A OD1 no hydrogen 3.285 N/A ALA 71.A N LEU 67.A O no hydrogen 3.010 N/A ARG 72.A N TYR 68.A O no hydrogen 3.080 N/A ARG 72.A N LEU 69.A O no hydrogen 3.208 N/A GLY 73.A N GLN 70.A O no hydrogen 2.866 N/A LEU 74.A N LEU 69.A O no hydrogen 3.336 N/A VAL 76.A N GLU 120.A OE1 no hydrogen 2.671 N/A THR 78.A N ALA 75.A O no hydrogen 2.963 N/A ILE 79.A N ALA 75.A O no hydrogen 2.902 N/A GLN 80.A N VAL 76.A O no hydrogen 2.870 N/A GLN 81.A N LYS 77.A O no hydrogen 3.184 N/A GLN 81.A NE2 GLN 81.A O no hydrogen 3.379 N/A HIS 82.A N THR 78.A O no hydrogen 3.127 N/A HIS 82.A ND1 TYR 65.A OH no hydrogen 2.885 N/A LEU 83.A N ILE 79.A O no hydrogen 3.159 N/A GLY 84.A N GLN 80.A O no hydrogen 2.840 N/A GLN 85.A N GLN 81.A O no hydrogen 2.768 N/A LEU 86.A N HIS 82.A O no hydrogen 3.089 N/A ASN 87.A N LEU 83.A O no hydrogen 2.790 N/A MET 88.A N GLY 84.A O no hydrogen 2.933 N/A LEU 89.A N GLN 85.A O no hydrogen 2.932 N/A HIS 90.A N LEU 86.A O no hydrogen 3.103 N/A HIS 90.A ND1 LEU 86.A O no hydrogen 2.817 N/A ARG 91.A N ASN 87.A O no hydrogen 2.820 N/A ARG 92.A N MET 88.A O no hydrogen 2.812 N/A SER 93.A N HIS 90.A O no hydrogen 2.750 N/A SER 93.A OG LEU 89.A O no hydrogen 3.420 N/A SER 93.A OG HIS 90.A O no hydrogen 3.026 N/A GLY 94.A N ARG 91.A O no hydrogen 3.076 N/A LEU 95.A N HIS 90.A O no hydrogen 3.059 N/A ARG 97.A NE ASP 100.A OD1 no hydrogen 3.293 N/A ARG 97.A NH2 ASP 100.A OD1 no hydrogen 3.006 N/A SER 99.A OG PRO 98.A O no hydrogen 2.465 N/A ASP 100.A N ARG 97.A O no hydrogen 3.076 N/A SER 105.A N SER 101.A O no hydrogen 3.160 N/A SER 105.A OG SER 101.A O no hydrogen 3.516 N/A LEU 106.A N ASN 102.A O no hydrogen 3.027 N/A VAL 107.A N ALA 103.A O no hydrogen 2.954 N/A MET 108.A N VAL 104.A O no hydrogen 3.034 N/A ARG 109.A N SER 105.A O no hydrogen 3.077 N/A ARG 110.A N LEU 106.A O no hydrogen 2.988 N/A ARG 110.A NE GLU 114.A OE2 no hydrogen 3.054 N/A ILE 111.A N VAL 107.A O no hydrogen 2.723 N/A ARG 112.A N MET 108.A O no hydrogen 2.894 N/A LYS 113.A N ARG 109.A O no hydrogen 2.916 N/A GLU 114.A N ARG 110.A O no hydrogen 2.751 N/A ASN 115.A N ILE 111.A O no hydrogen 2.934 N/A VAL 116.A N ARG 112.A O no hydrogen 2.995 N/A ASP 117.A N LYS 113.A O no hydrogen 2.868 N/A ALA 118.A N ASN 115.A O no hydrogen 2.966 N/A GLY 119.A N VAL 116.A O no hydrogen 2.904 N/A GLU 120.A N ASN 115.A O no hydrogen 3.334 N/A PHE 128.A N SER 281.A O no hydrogen 2.921 N/A GLU 129.A N ASP 132.A OD2 no hydrogen 3.326 N/A ARG 130.A N ASP 289.A OD2 no hydrogen 2.710 N/A ARG 130.A NE ASP 134.A OD1 no hydrogen 3.290 N/A ASP 132.A N GLU 129.A O no hydrogen 2.759 N/A PHE 133.A N GLU 129.A O no hydrogen 3.204 N/A ASP 134.A N ARG 130.A O no hydrogen 3.061 N/A VAL 136.A N ASP 132.A O no hydrogen 2.782 N/A ARG 137.A N PHE 133.A O no hydrogen 2.792 N/A ARG 137.A NH2 ASP 134.A OD1 no hydrogen 3.243 N/A SER 138.A N ASP 134.A O no hydrogen 2.836 N/A SER 138.A OG ASP 134.A O no hydrogen 3.461 N/A SER 138.A OG GLN 135.A O no hydrogen 2.655 N/A LEU 139.A N VAL 136.A O no hydrogen 3.394 N/A MET 140.A N VAL 136.A O no hydrogen 3.072 N/A GLU 141.A N ARG 137.A O no hydrogen 2.932 N/A SER 143.A N MET 140.A O no hydrogen 2.942 N/A SER 143.A OG ASP 148.A OD2 no hydrogen 2.621 N/A ARG 145.A N SER 143.A OG no hydrogen 3.199 N/A ARG 145.A NH2 GLN 147.A OE1 no hydrogen 2.637 N/A CYS 146.A SG VAL 218.A O no hydrogen 3.818 N/A ILE 149.A N ARG 145.A O no hydrogen 2.991 N/A ARG 150.A N CYS 146.A O no hydrogen 2.845 N/A ARG 150.A NE ASN 151.A OD1 no hydrogen 2.800 N/A ARG 150.A NH1 CYS 231.A O no hydrogen 2.876 N/A ARG 150.A NH2 ASN 151.A OD1 no hydrogen 2.741 N/A ASN 151.A N GLN 147.A O no hydrogen 2.754 N/A LEU 152.A N ASP 148.A O no hydrogen 3.011 N/A ALA 153.A N ILE 149.A O no hydrogen 3.366 N/A ALA 153.A N ARG 150.A O no hydrogen 3.091 N/A PHE 154.A N ARG 150.A O no hydrogen 3.025 N/A LEU 155.A N ASN 151.A O no hydrogen 3.193 N/A GLY 156.A N LEU 152.A O no hydrogen 3.060 N/A ILE 157.A N ALA 153.A O no hydrogen 2.905 N/A ALA 158.A N PHE 154.A O no hydrogen 2.689 N/A TYR 159.A N LEU 155.A O no hydrogen 2.870 N/A TYR 159.A OH ASP 289.A OD2 no hydrogen 2.470 N/A ASN 160.A N GLY 156.A O no hydrogen 2.753 N/A THR 161.A N ILE 157.A O no hydrogen 2.962 N/A THR 161.A OG1 ILE 157.A O no hydrogen 2.791 N/A LEU 162.A N ALA 158.A O no hydrogen 3.159 N/A LEU 163.A N THR 161.A OG1 no hydrogen 3.268 N/A ARG 164.A N GLU 167.A OE2 no hydrogen 2.831 N/A GLU 167.A N ARG 164.A O no hydrogen 3.026 N/A ILE 168.A N ARG 164.A O no hydrogen 3.044 N/A ALA 169.A N ILE 165.A O no hydrogen 2.815 N/A ARG 170.A N GLU 167.A O no hydrogen 3.199 N/A ILE 171.A N ILE 168.A O no hydrogen 3.078 N/A ARG 172.A N ASP 175.A OD1 no hydrogen 3.268 N/A ARG 172.A NE ASN 226.A O no hydrogen 3.297 N/A ARG 172.A NH2 ASN 226.A O no hydrogen 3.296 N/A VAL 173.A N ASN 227.A O no hydrogen 2.724 N/A LYS 174.A N PRO 225.A O no hydrogen 2.890 N/A ASP 175.A N ARG 172.A O no hydrogen 2.627 N/A ILE 176.A N VAL 173.A O no hydrogen 3.007 N/A SER 177.A N LEU 185.A O no hydrogen 3.072 N/A SER 177.A OG LEU 185.A O no hydrogen 3.311 N/A ARG 178.A NH2 GLY 182.A O no hydrogen 3.299 N/A ARG 178.A NH2 GLU 213.A OE2 no hydrogen 2.399 N/A THR 179.A N ARG 183.A O no hydrogen 2.939 N/A THR 179.A OG1 ARG 183.A O no hydrogen 3.469 N/A GLY 182.A N THR 179.A O no hydrogen 2.538 N/A MET 184.A N THR 209.A OG1 no hydrogen 3.179 N/A LEU 185.A N SER 177.A O no hydrogen 2.825 N/A ILE 186.A N LYS 202.A O no hydrogen 2.788 N/A HIS 187.A N ASP 175.A O no hydrogen 2.804 N/A HIS 187.A ND1 ASP 175.A O no hydrogen 3.215 N/A ILE 188.A N VAL 200.A O no hydrogen 2.608 N/A THR 197.A N VAL 195.A O no hydrogen 2.949 N/A LYS 202.A N ILE 186.A O no hydrogen 2.806 N/A LYS 202.A NZ THR 161.A O no hydrogen 3.039 N/A LYS 202.A NZ ALA 198.A O no hydrogen 3.218 N/A LYS 202.A NZ ALA 303.A O no hydrogen 2.814 N/A LEU 204.A N MET 184.A O no hydrogen 2.930 N/A SER 205.A N ASN 160.A OD1 no hydrogen 2.678 N/A VAL 208.A N SER 205.A OG no hydrogen 3.144 N/A THR 209.A N SER 205.A O no hydrogen 2.933 N/A THR 209.A OG1 SER 205.A O no hydrogen 2.557 N/A LYS 210.A N LEU 206.A O no hydrogen 3.083 N/A LEU 211.A N GLY 207.A O no hydrogen 3.273 N/A VAL 212.A N VAL 208.A O no hydrogen 2.937 N/A GLU 213.A N THR 209.A O no hydrogen 2.790 N/A ARG 214.A N LYS 210.A O no hydrogen 3.043 N/A ARG 214.A NH2 SER 143.A O no hydrogen 2.999 N/A ARG 214.A NH2 ASP 144.A OD2 no hydrogen 3.185 N/A TRP 215.A N LEU 211.A O no hydrogen 3.379 N/A TRP 215.A NE1 LEU 229.A O no hydrogen 2.541 N/A ILE 216.A N VAL 212.A O no hydrogen 3.019 N/A SER 217.A N GLU 213.A O no hydrogen 3.015 N/A VAL 218.A N ARG 214.A O no hydrogen 3.177 N/A SER 219.A N TRP 215.A O no hydrogen 2.980 N/A SER 219.A OG TRP 215.A O no hydrogen 2.607 N/A GLY 220.A N ILE 216.A O no hydrogen 3.074 N/A ASP 223.A N GLY 220.A O no hydrogen 3.433 N/A ASP 224.A N VAL 221.A O no hydrogen 3.446 N/A ASN 226.A N ASP 224.A OD1 no hydrogen 2.438 N/A ASN 227.A N ASP 224.A O no hydrogen 2.941 N/A ASN 227.A ND2 VAL 221.A O no hydrogen 2.602 N/A TYR 228.A N SER 242.A O no hydrogen 3.100 N/A LEU 229.A N ILE 171.A O no hydrogen 2.765 N/A CYS 231.A SG ARG 232.A O no hydrogen 3.518 N/A ARG 234.A N VAL 238.A O no hydrogen 3.253 N/A GLY 237.A N ARG 234.A O no hydrogen 2.567 N/A VAL 238.A N ASN 236.A OD1 no hydrogen 2.992 N/A ALA 240.A N ARG 232.A O no hydrogen 2.977 N/A THR 244.A N SER 242.A OG no hydrogen 3.112 N/A THR 244.A OG1 SER 242.A OG no hydrogen 3.214 N/A SER 245.A N SER 242.A OG no hydrogen 2.919 N/A GLN 246.A NE2 TYR 228.A OH no hydrogen 3.393 N/A ARG 250.A NH1 ARG 250.A O no hydrogen 3.096 N/A ALA 251.A N SER 248.A OG no hydrogen 3.367 N/A LEU 252.A N SER 248.A O no hydrogen 3.253 N/A GLU 253.A N THR 249.A O no hydrogen 2.880 N/A GLY 254.A N ARG 250.A O no hydrogen 2.851 N/A ILE 255.A N ALA 251.A O no hydrogen 3.010 N/A ILE 255.A N LEU 252.A O no hydrogen 2.678 N/A PHE 256.A N LEU 252.A O no hydrogen 3.280 N/A GLU 257.A N GLU 253.A O no hydrogen 3.002 N/A ALA 258.A N GLY 254.A O no hydrogen 2.694 N/A THR 259.A N ILE 255.A O no hydrogen 2.846 N/A THR 259.A OG1 ILE 255.A O no hydrogen 2.815 N/A HIS 260.A N PHE 256.A O no hydrogen 3.110 N/A ARG 261.A N GLU 257.A O no hydrogen 3.091 N/A LEU 262.A N ALA 258.A O no hydrogen 2.962 N/A TYR 264.A N HIS 260.A O no hydrogen 2.935 N/A GLY 265.A N ARG 261.A O no hydrogen 2.812 N/A SER 270.A N ASP 268.A OD2 no hydrogen 3.227 N/A SER 270.A OG ASP 268.A OD2 no hydrogen 2.467 N/A GLN 272.A NE2 SER 270.A OG no hydrogen 2.924 N/A TRP 277.A NE1 ALA 127.A O no hydrogen 2.890 N/A SER 278.A N SER 281.A OG no hydrogen 2.637 N/A SER 281.A N SER 278.A O no hydrogen 3.243 N/A SER 281.A OG LEU 126.A O no hydrogen 2.765 N/A SER 281.A OG SER 278.A O no hydrogen 3.041 N/A ARG 283.A NH1 LEU 162.A O no hydrogen 2.490 N/A ARG 283.A NH1 GLY 304.A O no hydrogen 3.039 N/A ARG 283.A NH2 GLY 304.A O no hydrogen 3.350 N/A VAL 284.A N HIS 280.A O no hydrogen 3.139 N/A GLY 285.A N SER 281.A O no hydrogen 3.007 N/A ALA 286.A N ALA 282.A O no hydrogen 2.665 N/A ALA 287.A N ARG 283.A O no hydrogen 2.967 N/A ARG 288.A N VAL 284.A O no hydrogen 3.124 N/A ARG 288.A NE GLU 129.A OE1 no hydrogen 2.643 N/A ARG 288.A NH1 TYR 315.A O no hydrogen 3.067 N/A ARG 288.A NH1 ASN 318.A OD1 no hydrogen 2.796 N/A ARG 288.A NH2 ASN 318.A OD1 no hydrogen 2.698 N/A ASP 289.A N GLY 285.A O no hydrogen 2.867 N/A MET 290.A N ALA 286.A O no hydrogen 2.969 N/A ALA 291.A N ALA 287.A O no hydrogen 2.998 N/A ARG 292.A N ARG 288.A O no hydrogen 2.992 N/A ARG 292.A NH1 GLU 129.A OE2 no hydrogen 3.347 N/A ARG 292.A NH2 GLU 129.A OE1 no hydrogen 3.568 N/A ARG 292.A NH2 GLU 129.A OE2 no hydrogen 2.889 N/A ALA 293.A N ASP 289.A O no hydrogen 2.866 N/A GLY 294.A N ALA 291.A O no hydrogen 2.803 N/A VAL 295.A N MET 290.A O no hydrogen 2.935 N/A GLU 299.A N SER 296.A OG no hydrogen 3.252 N/A ILE 300.A N SER 296.A O no hydrogen 2.916 N/A MET 301.A N ILE 297.A O no hydrogen 2.809 N/A GLN 302.A N PRO 298.A O no hydrogen 2.958 N/A GLN 302.A NE2 GLU 299.A O no hydrogen 3.686 N/A ALA 303.A N GLU 299.A O no hydrogen 3.218 N/A GLY 304.A N ILE 300.A O no hydrogen 3.262 N/A GLY 305.A N GLN 302.A O no hydrogen 3.346 N/A TRP 306.A N MET 301.A O no hydrogen 2.756 N/A ILE 311.A N ASN 308.A O no hydrogen 2.754 N/A MET 313.A N VAL 309.A O no hydrogen 2.861 N/A ASN 314.A N ASN 310.A O no hydrogen 3.132 N/A TYR 315.A N ILE 311.A O no hydrogen 3.022 N/A ILE 316.A N VAL 312.A O no hydrogen 3.151 N/A ILE 316.A N MET 313.A O no hydrogen 3.327 N/A LEU 319.A N ILE 316.A O no hydrogen 3.291 N/A SER 321.A OG GLU 322.A OE2 no hydrogen 3.312 N/A GLU 322.A N LEU 319.A O no hydrogen 3.113 N/A THR 323.A N ASP 320.A O no hydrogen 3.053 N/A THR 323.A OG1 ASP 320.A O no hydrogen 3.123 N/A LEU 329.A N ALA 325.A O no hydrogen 2.994 N/A LEU 330.A N MET 326.A O no hydrogen 2.770 N/A GLU 331.A N VAL 327.A O no hydrogen 2.837 N/A