Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3spx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A NZ LEU 17.A O no hydrogen 3.313 N/A LYS 6.A NZ GLY 19.A O no hydrogen 2.903 N/A LYS 6.A NZ GLN 20.A O no hydrogen 3.162 N/A SER 7.A N ASP 5.A OD1 no hydrogen 3.211 N/A SER 7.A OG ASP 5.A OD1 no hydrogen 2.696 N/A LYS 8.A N ASP 5.A O no hydrogen 3.288 N/A ASN 9.A ND2 ASP 5.A O no hydrogen 2.434 N/A GLN 12.A N GLN 16.A OE1 no hydrogen 2.581 N/A SER 13.A N GLN 16.A OE1 no hydrogen 3.243 N/A SER 13.A OG ASP 15.A OD1 no hydrogen 2.977 N/A GLN 16.A N SER 13.A O no hydrogen 2.979 N/A LEU 17.A N ILE 14.A O no hydrogen 2.917 N/A ILE 18.A N ASP 15.A O no hydrogen 3.254 N/A GLN 20.A N GLU 167.A OE2 no hydrogen 2.851 N/A THR 21.A N GLU 167.A OE1 no hydrogen 3.391 N/A THR 21.A OG1 GLU 41.A OE2 no hydrogen 2.662 N/A LEU 24.A N LEU 38.A O no hydrogen 2.924 N/A LEU 26.A N VAL 36.A O no hydrogen 2.932 N/A ASN 27.A N ASP 265.A OD2 no hydrogen 2.503 N/A LEU 29.A N ASP 265.A OD1 no hydrogen 2.967 N/A ASN 30.A N ASN 27.A O no hydrogen 2.900 N/A ASN 30.A ND2 ALA 34.A O no hydrogen 2.769 N/A THR 32.A N ASN 30.A OD1 no hydrogen 3.003 N/A THR 32.A OG1 ASN 30.A OD1 no hydrogen 2.723 N/A THR 32.A OG1 ALA 34.A O no hydrogen 3.268 N/A ALA 34.A N THR 32.A OG1 no hydrogen 3.123 N/A LYS 35.A N LYS 292.A O no hydrogen 2.796 N/A VAL 37.A N ILE 294.A O no hydrogen 2.754 N/A LEU 38.A N LEU 24.A O no hydrogen 2.683 N/A LYS 39.A N THR 296.A O no hydrogen 2.827 N/A LYS 39.A NZ THR 21.A O no hydrogen 2.747 N/A LYS 39.A NZ THR 21.A OG1 no hydrogen 2.972 N/A LYS 39.A NZ GLU 167.A OE1 no hydrogen 2.759 N/A LYS 39.A NZ GLN 171.A OE1 no hydrogen 2.865 N/A MET 40.A N PRO 22.A O no hydrogen 2.865 N/A GLU 41.A N LYS 39.A O no hydrogen 3.057 N/A CYS 42.A SG GLU 43.A OE2 no hydrogen 3.367 N/A GLU 43.A N MET 40.A O no hydrogen 2.918 N/A ASN 44.A N GLU 41.A O no hydrogen 3.294 N/A MET 46.A N ASP 50.A OD2 no hydrogen 2.594 N/A ALA 47.A N ASN 44.A O no hydrogen 2.844 N/A VAL 49.A N PRO 299.A O no hydrogen 2.859 N/A ASP 50.A N SER 84.A OG no hydrogen 3.142 N/A ARG 51.A N VAL 49.A O no hydrogen 2.901 N/A ARG 51.A NE GLU 41.A OE1 no hydrogen 2.726 N/A ARG 51.A NH1 THR 163.A OG1 no hydrogen 3.100 N/A ARG 51.A NH1 GLU 167.A OE2 no hydrogen 2.963 N/A ARG 51.A NH2 THR 21.A OG1 no hydrogen 3.320 N/A ARG 51.A NH2 GLU 41.A OE1 no hydrogen 3.494 N/A ARG 51.A NH2 GLU 41.A OE2 no hydrogen 2.861 N/A ARG 51.A NH2 GLU 167.A OE1 no hydrogen 2.716 N/A ARG 51.A NH2 GLU 167.A OE2 no hydrogen 3.549 N/A PHE 54.A N ASP 50.A O no hydrogen 3.061 N/A ALA 55.A N ARG 51.A O no hydrogen 2.969 N/A ILE 56.A N LEU 52.A O no hydrogen 2.948 N/A TYR 57.A N GLY 53.A O no hydrogen 3.128 N/A TYR 57.A OH LEU 85.A O no hydrogen 2.872 N/A ASP 58.A N PHE 54.A O no hydrogen 2.777 N/A LYS 59.A N ALA 55.A O no hydrogen 2.856 N/A LYS 59.A NZ GLU 162.A OE1 no hydrogen 2.751 N/A ALA 60.A N ILE 56.A O no hydrogen 3.010 N/A GLU 61.A N TYR 57.A O no hydrogen 3.035 N/A LYS 62.A N ASP 58.A O no hydrogen 2.977 N/A LYS 62.A NZ ASP 58.A OD1 no hydrogen 3.173 N/A LYS 62.A NZ ASP 58.A OD2 no hydrogen 3.012 N/A GLU 63.A N LYS 59.A O no hydrogen 2.897 N/A GLY 64.A N GLU 61.A O no hydrogen 2.985 N/A LYS 65.A N ALA 60.A O no hydrogen 2.784 N/A LYS 65.A NZ GLU 63.A OE1 no hydrogen 2.469 N/A LEU 66.A N ALA 60.A O no hydrogen 3.379 N/A ILE 67.A N SER 71.A OG no hydrogen 2.954 N/A GLY 69.A N GLY 93.A O no hydrogen 2.825 N/A LYS 70.A N ILE 67.A O no hydrogen 2.975 N/A SER 71.A N ILE 67.A O no hydrogen 2.919 N/A ILE 72.A N ASN 144.A O no hydrogen 2.817 N/A VAL 73.A N LYS 95.A O no hydrogen 3.026 N/A VAL 74.A N VAL 146.A O no hydrogen 2.855 N/A GLU 75.A N ILE 97.A O no hydrogen 2.951 N/A SER 76.A N GLU 75.A OE1 no hydrogen 3.018 N/A SER 77.A N THR 99.A O no hydrogen 3.265 N/A GLY 79.A N SER 77.A OG no hydrogen 3.016 N/A THR 81.A OG1 GLN 150.A OE1 no hydrogen 2.561 N/A GLY 82.A N SER 77.A OG no hydrogen 3.118 N/A SER 84.A N ASN 80.A O no hydrogen 3.056 N/A SER 84.A OG ASP 50.A OD1 no hydrogen 2.648 N/A SER 84.A OG ASN 80.A O no hydrogen 3.541 N/A LEU 85.A N THR 81.A O no hydrogen 2.936 N/A ALA 86.A N GLY 82.A O no hydrogen 2.836 N/A HIS 87.A N VAL 83.A O no hydrogen 2.884 N/A LEU 88.A N SER 84.A O no hydrogen 3.070 N/A GLY 89.A N LEU 85.A O no hydrogen 2.923 N/A ALA 90.A N ALA 86.A O no hydrogen 3.082 N/A ARG 92.A N LEU 88.A O no hydrogen 3.024 N/A ARG 92.A N GLY 89.A O no hydrogen 3.131 N/A ARG 92.A NH1 GLU 61.A OE2 no hydrogen 2.671 N/A ARG 92.A NH2 ASP 15.A OD2 no hydrogen 2.941 N/A GLY 93.A N ALA 90.A O no hydrogen 3.399 N/A TYR 94.A N GLY 89.A O no hydrogen 2.958 N/A LYS 95.A NZ GLU 118.A OE1 no hydrogen 3.155 N/A ILE 97.A N VAL 73.A O no hydrogen 2.746 N/A ILE 98.A N GLU 118.A O no hydrogen 2.931 N/A THR 99.A N GLU 75.A O no hydrogen 3.061 N/A THR 99.A OG1 ALA 131.A O no hydrogen 2.765 N/A MET 100.A N ILE 120.A O no hydrogen 3.082 N/A GLU 102.A N THR 122.A O no hydrogen 2.748 N/A MET 104.A N PRO 101.A O no hydrogen 3.284 N/A SER 105.A OG GLU 107.A OE1 no hydrogen 3.533 N/A ARG 108.A N SER 105.A OG no hydrogen 3.242 N/A ARG 108.A NH1 ARG 304.A O no hydrogen 2.923 N/A ARG 108.A NH2 GLN 227.A OE1 no hydrogen 3.289 N/A ARG 108.A NH2 ARG 304.A O no hydrogen 3.108 N/A ARG 109.A N SER 105.A O no hydrogen 3.292 N/A CYS 110.A N LEU 106.A O no hydrogen 2.695 N/A LEU 111.A N GLU 107.A O no hydrogen 2.951 N/A ARG 113.A N ARG 109.A O no hydrogen 3.224 N/A ARG 113.A NH1 ALA 117.A O no hydrogen 3.175 N/A ILE 114.A N CYS 110.A O no hydrogen 2.963 N/A PHE 115.A N LEU 112.A O no hydrogen 3.144 N/A GLY 116.A N ARG 113.A O no hydrogen 2.897 N/A ALA 117.A N LEU 112.A O no hydrogen 3.211 N/A GLU 118.A N VAL 96.A O no hydrogen 2.763 N/A ILE 120.A N ILE 98.A O no hydrogen 2.886 N/A THR 122.A N MET 100.A O no hydrogen 2.965 N/A LEU 126.A N PRO 123.A O no hydrogen 2.923 N/A GLY 127.A N ALA 124.A O no hydrogen 3.022 N/A GLY 130.A N LEU 126.A O no hydrogen 3.165 N/A GLY 130.A N GLY 127.A O no hydrogen 3.115 N/A ALA 131.A N GLY 127.A O no hydrogen 3.412 N/A VAL 132.A N MET 128.A O no hydrogen 2.971 N/A ALA 133.A N LYS 129.A O no hydrogen 2.901 N/A MET 134.A N GLY 130.A O no hydrogen 3.004 N/A ALA 135.A N ALA 131.A O no hydrogen 3.002 N/A LYS 136.A N VAL 132.A O no hydrogen 3.017 N/A LYS 137.A N ALA 133.A O no hydrogen 2.933 N/A ILE 138.A N MET 134.A O no hydrogen 2.955 N/A VAL 139.A N ALA 135.A O no hydrogen 3.092 N/A ALA 140.A N LYS 136.A O no hydrogen 2.809 N/A ALA 141.A N LYS 137.A O no hydrogen 3.013 N/A ASN 142.A N ILE 138.A O no hydrogen 3.191 N/A ASN 144.A N ASN 142.A OD1 no hydrogen 2.743 N/A ALA 145.A N ASN 142.A O no hydrogen 3.049 N/A VAL 146.A N ILE 72.A O no hydrogen 2.852 N/A ALA 148.A N VAL 74.A O no hydrogen 2.863 N/A GLN 150.A N GLU 75.A OE2 no hydrogen 2.969 N/A GLN 150.A NE2 SER 76.A O no hydrogen 3.569 N/A ALA 152.A N ASP 149.A O no hydrogen 3.013 N/A THR 153.A N ASP 149.A O no hydrogen 2.835 N/A LYS 154.A NZ GLU 63.A OE1 no hydrogen 3.442 N/A TYR 155.A N THR 153.A OG1 no hydrogen 3.273 N/A TYR 155.A OH GLU 63.A OE1 no hydrogen 3.043 N/A ASN 156.A N THR 153.A O no hydrogen 3.207 N/A ASN 156.A ND2 GLN 150.A O no hydrogen 2.930 N/A ASN 156.A ND2 THR 185.A OG1 no hydrogen 2.845 N/A ILE 159.A N TYR 155.A O no hydrogen 3.047 N/A HIS 160.A N ASN 156.A O no hydrogen 3.501 N/A GLU 161.A N ALA 157.A O no hydrogen 2.964 N/A GLU 162.A N LEU 158.A O no hydrogen 2.863 N/A THR 163.A N ILE 159.A O no hydrogen 2.853 N/A THR 163.A OG1 ILE 159.A O no hydrogen 2.654 N/A GLY 165.A N HIS 160.A O no hydrogen 2.885 N/A GLU 167.A N THR 163.A O no hydrogen 2.953 N/A ILE 168.A N THR 164.A O no hydrogen 3.070 N/A TRP 169.A N GLY 165.A O no hydrogen 2.913 N/A GLU 170.A N PRO 166.A O no hydrogen 3.049 N/A GLN 171.A N GLU 167.A O no hydrogen 2.769 N/A GLN 171.A NE2 THR 21.A O no hydrogen 2.911 N/A THR 172.A N ILE 168.A O no hydrogen 2.901 N/A THR 172.A OG1 ILE 168.A O no hydrogen 2.973 N/A THR 172.A OG1 TRP 169.A O no hydrogen 3.387 N/A ASN 173.A N GLU 170.A O no hydrogen 3.073 N/A HIS 174.A N TRP 169.A O no hydrogen 2.803 N/A ASP 177.A N THR 293.A O no hydrogen 2.887 N/A CYS 178.A N THR 293.A O no hydrogen 3.305 N/A CYS 178.A SG ARG 204.A O no hydrogen 3.707 N/A PHE 179.A N ARG 204.A O no hydrogen 2.965 N/A ILE 180.A N VAL 295.A O no hydrogen 2.921 N/A ALA 181.A N VAL 206.A O no hydrogen 3.021 N/A GLY 182.A N ASN 276.A OD1 no hydrogen 2.871 N/A VAL 183.A N VAL 208.A O no hydrogen 3.186 N/A GLY 187.A N THR 185.A OG1 no hydrogen 3.128 N/A THR 190.A N GLY 186.A O no hydrogen 2.918 N/A THR 190.A OG1 GLY 186.A O no hydrogen 2.767 N/A GLY 191.A N GLY 187.A O no hydrogen 2.845 N/A VAL 192.A N THR 188.A O no hydrogen 2.947 N/A ALA 193.A N LEU 189.A O no hydrogen 2.944 N/A ARG 194.A N THR 190.A O no hydrogen 2.949 N/A ARG 194.A NH2 ASP 239.A OD2 no hydrogen 2.932 N/A ALA 195.A N GLY 191.A O no hydrogen 3.133 N/A LEU 196.A N VAL 192.A O no hydrogen 2.883 N/A LYS 197.A N ALA 193.A O no hydrogen 3.055 N/A LYS 198.A N ARG 194.A O no hydrogen 3.048 N/A LYS 198.A NZ GLU 161.A OE2 no hydrogen 2.866 N/A MET 199.A N ALA 195.A O no hydrogen 2.971 N/A GLY 200.A N LYS 197.A O no hydrogen 3.026 N/A SER 201.A N LEU 196.A O no hydrogen 2.864 N/A ALA 203.A N SER 201.A OG no hydrogen 3.075 N/A ARG 204.A N ASP 177.A O no hydrogen 3.010 N/A ILE 205.A N ASP 244.A OD2 no hydrogen 2.860 N/A VAL 206.A N PHE 179.A O no hydrogen 2.829 N/A ALA 207.A N GLU 245.A O no hydrogen 3.016 N/A VAL 208.A N ALA 181.A O no hydrogen 2.958 N/A GLU 209.A N LEU 247.A O no hydrogen 3.192 N/A THR 211.A N VAL 249.A O no hydrogen 2.939 N/A SER 213.A N PRO 210.A O no hydrogen 3.075 N/A SER 213.A OG GLY 222.A O no hydrogen 3.350 N/A VAL 215.A N SER 213.A O no hydrogen 2.937 N/A LEU 216.A N GLU 209.A OE1 no hydrogen 2.756 N/A SER 217.A N GLU 209.A OE2 no hydrogen 2.736 N/A SER 217.A OG GLU 209.A OE2 no hydrogen 2.623 N/A GLY 218.A N VAL 215.A O no hydrogen 2.981 N/A GLY 219.A N PRO 214.A O no hydrogen 2.842 N/A GLY 222.A N SER 213.A OG no hydrogen 3.157 N/A HIS 224.A NE2 GLY 230.A O no hydrogen 2.885 N/A LYS 225.A NZ ASP 252.A OD1 no hydrogen 3.041 N/A ILE 226.A N HIS 224.A ND1 no hydrogen 2.925 N/A ILE 229.A N ILE 226.A O no hydrogen 3.226 N/A GLY 230.A N VAL 183.A O no hydrogen 3.076 N/A VAL 237.A N PHE 151.A O no hydrogen 2.969 N/A LEU 238.A N PRO 235.A O no hydrogen 3.037 N/A ASP 239.A N THR 190.A OG1 no hydrogen 3.226 N/A ARG 240.A NH2 LEU 216.A O no hydrogen 2.902 N/A SER 241.A N ASP 239.A OD1 no hydrogen 3.098 N/A SER 241.A OG ASP 239.A OD1 no hydrogen 2.558 N/A LEU 242.A N ASP 239.A O no hydrogen 3.114 N/A ILE 243.A N ARG 240.A O no hydrogen 3.140 N/A ASP 244.A N ILE 205.A O no hydrogen 2.734 N/A GLU 245.A N ILE 205.A O no hydrogen 3.245 N/A LEU 247.A N ALA 207.A O no hydrogen 2.764 N/A CYS 248.A SG SER 217.A OG no hydrogen 3.467 N/A VAL 249.A N GLU 209.A O no hydrogen 2.970 N/A GLY 251.A N GLU 212.A OE1 no hydrogen 3.027 N/A ALA 254.A N ALA 250.A O no hydrogen 3.087 N/A ILE 255.A N GLY 251.A O no hydrogen 2.948 N/A GLU 256.A N ASP 252.A O no hydrogen 2.946 N/A THR 257.A N ASP 253.A O no hydrogen 2.959 N/A THR 257.A OG1 ASP 253.A O no hydrogen 2.633 N/A ALA 258.A N ALA 254.A O no hydrogen 3.013 N/A LEU 259.A N ILE 255.A O no hydrogen 3.165 N/A LYS 260.A N GLU 256.A O no hydrogen 2.995 N/A LEU 261.A N THR 257.A O no hydrogen 2.854 N/A THR 262.A N ALA 258.A O no hydrogen 3.391 N/A THR 262.A OG1 LEU 259.A O no hydrogen 2.898 N/A SER 264.A N LYS 260.A O no hydrogen 2.876 N/A SER 264.A OG LYS 260.A O no hydrogen 3.140 N/A SER 264.A OG LEU 261.A O no hydrogen 3.532 N/A SER 264.A OG ASP 265.A OD1 no hydrogen 2.582 N/A ASP 265.A N LEU 261.A O no hydrogen 2.978 N/A VAL 267.A N LEU 261.A O no hydrogen 3.391 N/A CYS 269.A SG GLY 270.A O no hydrogen 3.539 N/A GLY 274.A N GLY 270.A O no hydrogen 3.230 N/A ALA 275.A N PHE 271.A O no hydrogen 2.898 N/A ASN 276.A N SER 272.A O no hydrogen 2.789 N/A ASN 276.A ND2 VAL 297.A O no hydrogen 2.881 N/A VAL 277.A N GLY 273.A O no hydrogen 2.983 N/A TYR 278.A N GLY 274.A O no hydrogen 3.012 N/A ALA 279.A N ALA 275.A O no hydrogen 2.972 N/A ALA 280.A N ASN 276.A O no hydrogen 2.785 N/A LEU 281.A N VAL 277.A O no hydrogen 2.847 N/A LYS 282.A N TYR 278.A O no hydrogen 2.930 N/A ILE 283.A N ALA 279.A O no hydrogen 2.989 N/A ALA 284.A N ALA 280.A O no hydrogen 2.772 N/A GLU 285.A N LEU 281.A O no hydrogen 3.013 N/A GLU 285.A N LYS 282.A O no hydrogen 3.306 N/A ARG 286.A N ILE 283.A O no hydrogen 2.951 N/A ARG 286.A NH1 GLU 245.A OE1 no hydrogen 2.915 N/A ARG 286.A NH2 GLU 245.A OE2 no hydrogen 2.911 N/A GLU 288.A N GLU 288.A OE1 no hydrogen 2.858 N/A MET 289.A N ARG 286.A O no hydrogen 2.973 N/A GLU 290.A N PRO 287.A O no hydrogen 3.170 N/A GLY 291.A N LYS 33.A O no hydrogen 2.744 N/A LYS 292.A N MET 289.A O no hydrogen 2.938 N/A THR 293.A N ASP 177.A OD2 no hydrogen 2.913 N/A ILE 294.A N LYS 35.A O no hydrogen 2.925 N/A VAL 295.A N CYS 178.A O no hydrogen 2.803 N/A THR 296.A N VAL 37.A O no hydrogen 2.877 N/A THR 296.A OG1 ILE 180.A O no hydrogen 2.644 N/A VAL 297.A N THR 296.A OG1 no hydrogen 2.743 N/A ILE 298.A N LYS 39.A O no hydrogen 2.845 N/A SER 300.A OG TYR 305.A OH no hydrogen 2.645 N/A PHE 301.A N ALA 47.A O no hydrogen 3.007 N/A GLY 302.A N PHE 268.A O no hydrogen 2.872 N/A ARG 304.A NH1 MET 46.A O no hydrogen 3.197 N/A ARG 304.A NH1 ASN 80.A OD1 no hydrogen 3.018 N/A ARG 304.A NH2 MET 46.A O no hydrogen 3.124 N/A TYR 305.A N GLY 302.A O no hydrogen 2.889 N/A TYR 305.A OH SER 300.A OG no hydrogen 2.645 N/A LEU 306.A N GLU 303.A O no hydrogen 3.317 N/A SER 307.A OG GLU 107.A OE1 no hydrogen 3.426 N/A THR 308.A N TYR 305.A O no hydrogen 2.934 N/A THR 308.A OG1 TYR 305.A O no hydrogen 2.892 N/A LEU 310.A N THR 308.A OG1 no hydrogen 3.102 N/A TYR 311.A OH CYS 269.A O no hydrogen 2.707 N/A ARG 312.A N THR 309.A O no hydrogen 3.353 N/A ARG 312.A NE ASP 316.A OD1 no hydrogen 2.880 N/A VAL 314.A N TYR 311.A O no hydrogen 2.864 N/A ARG 315.A N TYR 311.A O no hydrogen 2.909 N/A ASP 316.A N ARG 312.A O no hydrogen 2.683 N/A GLU 317.A N SER 313.A O no hydrogen 3.247 N/A VAL 318.A N VAL 314.A O no hydrogen 2.739 N/A SER 319.A N ARG 315.A O no hydrogen 2.994 N/A SER 319.A OG ARG 315.A O no hydrogen 2.940 N/A