Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 6.A OD2 no hydrogen 3.403 N/A GLN 5.A N ASP 2.A O no hydrogen 3.049 N/A ASP 6.A N GLY 1.A O no hydrogen 3.066 N/A TYR 9.A N GLN 5.A O no hydrogen 2.867 N/A PHE 10.A N ASP 6.A O no hydrogen 2.888 N/A GLY 11.A N ASP 7.A O no hydrogen 2.969 N/A ASN 12.A N GLU 8.A O no hydrogen 2.959 N/A TYR 13.A N TYR 9.A O no hydrogen 3.380 N/A GLY 14.A N GLY 11.A O no hydrogen 3.140 N/A THR 15.A N ASN 12.A O no hydrogen 3.471 N/A THR 15.A OG1 ASN 12.A O no hydrogen 3.000 N/A HIS 19.A NE2 TYR 13.A O no hydrogen 2.735 N/A LEU 20.A N LEU 16.A O no hydrogen 2.754 N/A GLU 21.A N ARG 17.A O no hydrogen 3.207 N/A MET 22.A N LEU 18.A O no hydrogen 3.026 N/A LEU 23.A N HIS 19.A O no hydrogen 2.842 N/A SER 24.A N LEU 20.A O no hydrogen 2.837 N/A SER 24.A OG LEU 20.A O no hydrogen 2.695 N/A ASP 25.A N MET 22.A O no hydrogen 3.150 N/A ARG 28.A N ASP 25.A OD1 no hydrogen 3.045 N/A ARG 28.A NE MET 22.A O no hydrogen 3.041 N/A ARG 28.A NE THR 29.A OG1 no hydrogen 3.427 N/A ARG 28.A NH1 GLU 118.A OE1 no hydrogen 3.429 N/A ARG 28.A NH2 MET 22.A O no hydrogen 3.322 N/A ARG 28.A NH2 THR 29.A OG1 no hydrogen 3.033 N/A THR 29.A N ASP 25.A O no hydrogen 2.988 N/A THR 29.A OG1 ASP 25.A O no hydrogen 2.982 N/A GLU 30.A N LYS 26.A O no hydrogen 2.802 N/A THR 31.A N PRO 27.A O no hydrogen 3.140 N/A THR 31.A OG1 PRO 27.A O no hydrogen 2.537 N/A TYR 32.A N ARG 28.A O no hydrogen 3.418 N/A TYR 32.A OH SER 117.A O no hydrogen 2.703 N/A ARG 33.A N THR 29.A O no hydrogen 3.016 N/A ARG 33.A NH1 GLU 30.A OE2 no hydrogen 3.241 N/A GLN 34.A N GLU 30.A O no hydrogen 2.698 N/A GLN 34.A NE2 GLU 30.A OE2 no hydrogen 3.020 N/A VAL 35.A N THR 31.A O no hydrogen 2.890 N/A ILE 36.A N TYR 32.A O no hydrogen 3.168 N/A LEU 37.A N ARG 33.A O no hydrogen 3.005 N/A SER 38.A N GLN 34.A O no hydrogen 2.755 N/A SER 38.A OG GLN 34.A O no hydrogen 3.056 N/A ASN 39.A N VAL 35.A O no hydrogen 3.165 N/A ASN 39.A N ILE 36.A O no hydrogen 3.310 N/A ASN 39.A ND2 VAL 35.A O no hydrogen 2.784 N/A SER 40.A N LEU 37.A O no hydrogen 3.232 N/A SER 40.A OG LEU 65.A O no hydrogen 2.958 N/A LEU 43.A N ASN 39.A O no hydrogen 2.965 N/A LEU 43.A N SER 40.A O no hydrogen 3.224 N/A ARG 44.A N ALA 41.A O no hydrogen 3.327 N/A GLU 45.A N LYS 67.A O no hydrogen 2.923 N/A LYS 46.A N LEU 43.A O no hydrogen 3.041 N/A VAL 47.A N ASP 113.A OD2 no hydrogen 2.688 N/A VAL 48.A N GLY 70.A O no hydrogen 2.959 N/A LEU 49.A N VAL 114.A O no hydrogen 2.816 N/A ASP 50.A N TYR 72.A O no hydrogen 2.828 N/A LEU 51.A N VAL 116.A O no hydrogen 2.975 N/A GLY 52.A N VAL 74.A O no hydrogen 2.788 N/A CYS 53.A N VAL 74.A O no hydrogen 2.911 N/A CYS 53.A SG GLY 54.A O no hydrogen 3.833 N/A GLY 54.A N GLU 75.A OE1 no hydrogen 2.804 N/A GLY 56.A N CYS 53.A O no hydrogen 2.724 N/A SER 59.A OG ASP 50.A OD2 no hydrogen 2.792 N/A LEU 60.A N GLY 56.A O no hydrogen 2.869 N/A PHE 61.A N VAL 57.A O no hydrogen 2.853 N/A CYS 62.A N ILE 58.A O no hydrogen 3.020 N/A CYS 62.A SG ILE 58.A O no hydrogen 3.364 N/A ALA 63.A N SER 59.A O no hydrogen 2.941 N/A LEU 64.A N LEU 60.A O no hydrogen 2.943 N/A LEU 65.A N PHE 61.A O no hydrogen 2.874 N/A ALA 69.A N LYS 46.A O no hydrogen 2.869 N/A VAL 71.A N VAL 95.A O no hydrogen 2.899 N/A TYR 72.A N VAL 48.A O no hydrogen 2.776 N/A TYR 72.A OH THR 110.A OG1 no hydrogen 2.870 N/A ALA 73.A N THR 97.A O no hydrogen 2.721 N/A VAL 74.A N ASP 50.A O no hydrogen 3.086 N/A GLU 75.A N PHE 99.A O no hydrogen 2.951 N/A SER 77.A N GLU 75.A OE2 no hydrogen 2.982 N/A SER 77.A OG TYR 13.A O no hydrogen 3.310 N/A SER 77.A OG GLU 75.A OE2 no hydrogen 2.747 N/A MET 79.A N SER 77.A OG no hydrogen 3.233 N/A ALA 80.A N SER 77.A O no hydrogen 3.205 N/A GLU 81.A N SER 78.A O no hydrogen 3.245 N/A THR 83.A N MET 79.A O no hydrogen 2.872 N/A THR 83.A OG1 GLY 54.A O no hydrogen 2.494 N/A THR 83.A OG1 MET 79.A O no hydrogen 3.093 N/A GLU 84.A N ALA 80.A O no hydrogen 2.997 N/A LEU 86.A N HIS 82.A O no hydrogen 2.858 N/A VAL 87.A N THR 83.A O no hydrogen 2.850 N/A LYS 88.A N GLU 84.A O no hydrogen 3.237 N/A GLN 89.A N GLU 85.A O no hydrogen 2.880 N/A GLN 89.A NE2 GLU 85.A OE2 no hydrogen 3.191 N/A ASN 90.A N LEU 86.A O no hydrogen 3.075 N/A ASN 90.A N VAL 87.A O no hydrogen 3.254 N/A ASN 90.A ND2 LEU 86.A O no hydrogen 2.774 N/A GLY 91.A N LYS 88.A O no hydrogen 3.130 N/A CYS 92.A N VAL 87.A O no hydrogen 3.093 N/A CYS 92.A SG ASN 90.A O no hydrogen 3.481 N/A ASP 93.A N ASP 93.A OD1 no hydrogen 2.446 N/A VAL 95.A N CYS 92.A O no hydrogen 3.049 N/A VAL 96.A N CYS 92.A O no hydrogen 2.846 N/A THR 97.A N VAL 71.A O no hydrogen 2.816 N/A PHE 99.A N ALA 73.A O no hydrogen 2.726 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.529 N/A ASN 105.A N ARG 102.A O no hydrogen 3.106 N/A THR 107.A N GLU 101.A OE1 no hydrogen 3.073 N/A THR 110.A OG1 TYR 72.A OH no hydrogen 2.870 N/A THR 110.A OG1 LYS 111.A O no hydrogen 2.790 N/A VAL 112.A N TRP 140.A O no hydrogen 2.808 N/A ASP 113.A N VAL 47.A O no hydrogen 2.879 N/A VAL 114.A N VAL 47.A O no hydrogen 3.236 N/A LEU 115.A N MET 146.A O no hydrogen 2.903 N/A VAL 116.A N LEU 49.A O no hydrogen 2.847 N/A SER 117.A N TRP 148.A O no hydrogen 2.988 N/A SER 117.A OG LEU 51.A O no hydrogen 2.719 N/A GLY 121.A N LEU 124.A O no hydrogen 2.965 N/A LEU 125.A N CYS 123.A O no hydrogen 2.674 N/A PHE 126.A N ASN 122.A O no hydrogen 3.156 N/A GLU 127.A N ARG 310.A O no hydrogen 2.970 N/A TYR 128.A N LEU 125.A O no hydrogen 2.848 N/A GLU 131.A N TYR 128.A O no hydrogen 3.190 N/A SER 132.A OG GLU 104.A OE2 no hydrogen 2.573 N/A VAL 133.A N MET 129.A O no hydrogen 3.064 N/A LEU 134.A N LEU 130.A O no hydrogen 2.862 N/A LEU 135.A N GLU 131.A O no hydrogen 3.018 N/A ALA 136.A N SER 132.A O no hydrogen 3.099 N/A ARG 137.A N VAL 133.A O no hydrogen 2.892 N/A ARG 137.A NE ASP 138.A OD1 no hydrogen 3.048 N/A ARG 137.A NH1 MET 218.A O no hydrogen 2.860 N/A ARG 137.A NH1 ILE 221.A O no hydrogen 2.849 N/A ARG 137.A NH2 ASP 138.A OD1 no hydrogen 2.937 N/A ARG 137.A NH2 ILE 221.A O no hydrogen 2.750 N/A ASP 138.A N LEU 134.A O no hydrogen 2.975 N/A ARG 139.A N LEU 135.A O no hydrogen 3.308 N/A ARG 139.A NH1 ARG 139.A O no hydrogen 3.160 N/A TRP 140.A N ALA 136.A O no hydrogen 2.848 N/A LEU 141.A N ARG 137.A O no hydrogen 3.019 N/A LYS 142.A N VAL 112.A O no hydrogen 2.887 N/A LYS 142.A NZ ASP 113.A OD1 no hydrogen 2.436 N/A GLY 145.A N LYS 142.A O no hydrogen 2.784 N/A MET 146.A N ASP 113.A O no hydrogen 2.952 N/A TRP 148.A N LEU 115.A O no hydrogen 2.855 N/A TRP 148.A NE1 GLN 255.A O no hydrogen 2.862 N/A SER 150.A N HIS 253.A O no hydrogen 2.751 N/A SER 150.A OG HIS 253.A O no hydrogen 3.106 N/A SER 151.A N HIS 253.A O no hydrogen 3.419 N/A ALA 152.A N LEU 216.A O no hydrogen 3.086 N/A CYS 153.A N SER 251.A O no hydrogen 3.021 N/A LEU 154.A N ILE 214.A O no hydrogen 2.772 N/A THR 155.A N TRP 249.A O no hydrogen 2.889 N/A THR 155.A OG1 ASP 212.A OD1 no hydrogen 2.667 N/A ILE 156.A N ALA 211.A O no hydrogen 3.124 N/A VAL 157.A N THR 247.A O no hydrogen 3.091 N/A CYS 159.A N GLY 245.A O no hydrogen 2.923 N/A CYS 159.A SG GLN 160.A O no hydrogen 4.041 N/A CYS 159.A SG GLY 245.A O no hydrogen 3.535 N/A CYS 159.A SG THR 247.A OG1 no hydrogen 3.146 N/A GLN 160.A N ASP 205.A O no hydrogen 2.848 N/A GLN 160.A NE2 ASP 205.A OD1 no hydrogen 3.254 N/A ALA 161.A N HIS 244.A ND1 no hydrogen 2.938 N/A SER 163.A OG ASP 164.A OD1 no hydrogen 3.532 N/A TYR 165.A N ALA 161.A O no hydrogen 3.130 N/A ARG 166.A N PHE 162.A O no hydrogen 2.797 N/A GLN 167.A N SER 163.A O no hydrogen 2.842 N/A LYS 168.A N ASP 164.A O no hydrogen 3.056 N/A VAL 169.A N TYR 165.A O no hydrogen 2.941 N/A GLU 170.A N TYR 165.A O no hydrogen 2.999 N/A TRP 172.A N VAL 169.A O no hydrogen 3.419 N/A TRP 172.A NE1 LYS 168.A O no hydrogen 2.922 N/A GLU 173.A N GLU 170.A O no hydrogen 3.119 N/A GLY 177.A N ASN 174.A O no hydrogen 3.247 N/A LEU 178.A N PRO 175.A O no hydrogen 2.929 N/A SER 181.A N ASN 179.A OD1 no hydrogen 3.036 N/A SER 181.A OG ASN 179.A OD1 no hydrogen 2.571 N/A LEU 183.A N PHE 180.A O no hydrogen 3.010 N/A GLN 184.A N SER 181.A O no hydrogen 3.043 N/A GLN 184.A NE2 VAL 169.A O no hydrogen 3.204 N/A GLN 184.A NE2 GLU 173.A OE2 no hydrogen 3.197 N/A ALA 187.A N LEU 183.A O no hydrogen 2.877 N/A GLN 188.A N GLN 184.A O no hydrogen 2.901 N/A LYS 189.A N SER 185.A O no hydrogen 3.279 N/A GLU 190.A N LEU 186.A O no hydrogen 2.889 N/A PHE 191.A N ALA 187.A O no hydrogen 2.819 N/A LEU 192.A N GLN 188.A O no hydrogen 3.069 N/A SER 193.A OG LYS 189.A O no hydrogen 2.328 N/A LYS 194.A NZ GLU 190.A O no hydrogen 3.051 N/A LYS 196.A N LEU 281.A O no hydrogen 2.919 N/A LYS 196.A NZ ASP 164.A OD2 no hydrogen 2.969 N/A LYS 196.A NZ HIS 199.A ND1 no hydrogen 3.167 N/A HIS 199.A N GLN 279.A O no hydrogen 2.771 N/A LEU 201.A N GLN 279.A OE1 no hydrogen 2.938 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 3.026 N/A ASP 205.A N GLN 202.A O no hydrogen 2.935 N/A CYS 206.A N PRO 203.A O no hydrogen 3.078 N/A CYS 206.A SG TYR 271.A OH no hydrogen 3.656 N/A LEU 207.A N PRO 158.A O no hydrogen 2.982 N/A SER 208.A OG THR 236.A O no hydrogen 3.004 N/A THR 209.A N GLU 238.A OE2 no hydrogen 3.136 N/A THR 209.A OG1 GLU 238.A OE2 no hydrogen 2.710 N/A ALA 211.A N ILE 156.A O no hydrogen 3.107 N/A VAL 213.A N LEU 154.A O no hydrogen 2.818 N/A LEU 216.A N ALA 152.A O no hydrogen 2.713 N/A MET 218.A N SER 150.A O no hydrogen 3.060 N/A VAL 219.A N ASP 217.A OD1 no hydrogen 3.111 N/A THR 220.A N ASP 217.A O no hydrogen 3.205 N/A ILE 221.A N ASP 217.A O no hydrogen 2.914 N/A GLN 222.A N ASP 225.A OD2 no hydrogen 2.843 N/A GLN 222.A NE2 THR 220.A O no hydrogen 3.217 N/A ASP 225.A N GLN 222.A O no hydrogen 2.889 N/A LEU 226.A N VAL 223.A O no hydrogen 2.993 N/A LEU 229.A N LEU 302.A O no hydrogen 2.946 N/A GLY 231.A N ILE 300.A O no hydrogen 3.003 N/A PHE 233.A N GLY 298.A O no hydrogen 2.893 N/A PHE 235.A N ILE 296.A O no hydrogen 2.651 N/A VAL 237.A N ASP 294.A O no hydrogen 2.717 N/A GLU 238.A N LEU 207.A O no hydrogen 2.819 N/A LYS 239.A NZ GLU 204.A O no hydrogen 2.840 N/A GLY 241.A N VAL 290.A O no hydrogen 2.882 N/A MET 242.A N GLN 160.A OE1 no hydrogen 2.905 N/A PHE 243.A N VAL 288.A O no hydrogen 2.719 N/A HIS 244.A N CYS 159.A O no hydrogen 3.038 N/A PHE 246.A N PHE 282.A O no hydrogen 2.912 N/A THR 247.A N VAL 157.A O no hydrogen 3.073 N/A VAL 248.A N THR 280.A O no hydrogen 2.731 N/A TRP 249.A N THR 155.A O no hydrogen 2.883 N/A PHE 250.A N THR 268.A OG1 no hydrogen 3.109 N/A SER 251.A N CYS 153.A O no hydrogen 2.992 N/A ALA 252.A N LEU 266.A O no hydrogen 2.812 N/A HIS 253.A N SER 151.A O no hydrogen 2.809 N/A PHE 254.A N ILE 264.A O no hydrogen 2.742 N/A GLN 255.A N SER 150.A OG no hydrogen 2.839 N/A CYS 256.A SG ASN 39.A OD1 no hydrogen 3.243 N/A CYS 256.A SG GLU 258.A O no hydrogen 3.384 N/A LEU 257.A N ASN 39.A OD1 no hydrogen 2.839 N/A GLY 261.A N GLU 258.A O no hydrogen 2.955 N/A SER 263.A OG PHE 254.A O no hydrogen 3.489 N/A ILE 264.A N PHE 254.A O no hydrogen 3.152 N/A LEU 266.A N ALA 252.A O no hydrogen 2.778 N/A ASN 267.A ND2 GLU 265.A OE2 no hydrogen 3.175 N/A THR 268.A N PHE 250.A O no hydrogen 3.135 N/A THR 268.A OG1 PHE 250.A O no hydrogen 2.707 N/A GLY 269.A N ASN 267.A OD1 no hydrogen 2.964 N/A SER 272.A N GLY 269.A O no hydrogen 3.259 N/A HIS 276.A N ASP 25.A OD2 no hydrogen 2.832 N/A HIS 276.A ND1 ASP 25.A OD2 no hydrogen 2.657 N/A TRP 277.A N THR 275.A OG1 no hydrogen 3.261 N/A LYS 278.A N THR 275.A O no hydrogen 2.921 N/A GLN 279.A N HIS 199.A O no hydrogen 2.827 N/A GLN 279.A NE2 THR 268.A O no hydrogen 2.878 N/A THR 280.A N VAL 248.A O no hydrogen 2.916 N/A THR 280.A OG1 ASN 122.A OD1 no hydrogen 3.084 N/A LEU 281.A N LYS 196.A O no hydrogen 3.061 N/A PHE 282.A N PHE 246.A O no hydrogen 2.754 N/A LEU 284.A N HIS 244.A O no hydrogen 2.800 N/A VAL 288.A N PHE 243.A O no hydrogen 3.227 N/A VAL 290.A N GLY 241.A O no hydrogen 2.859 N/A GLU 291.A N ASP 294.A OD2 no hydrogen 2.725 N/A GLY 293.A N VAL 237.A O no hydrogen 2.842 N/A ASP 294.A N GLU 291.A O no hydrogen 3.072 N/A ILE 295.A N ASN 321.A OD1 no hydrogen 2.743 N/A ILE 296.A N PHE 235.A O no hydrogen 2.723 N/A ALA 297.A N ASN 319.A O no hydrogen 3.049 N/A GLY 298.A N PHE 233.A O no hydrogen 2.939 N/A SER 299.A N LEU 317.A O no hydrogen 2.891 N/A ILE 300.A N GLY 231.A O no hydrogen 2.925 N/A ARG 301.A N THR 315.A O no hydrogen 2.929 N/A ARG 301.A NH1 GLN 303.A OE1 no hydrogen 3.493 N/A LEU 302.A N LEU 229.A O no hydrogen 2.694 N/A GLN 303.A N SER 313.A O no hydrogen 2.933 N/A ARG 304.A N GLU 227.A O no hydrogen 2.869 N/A ARG 304.A NE ARG 309.A O no hydrogen 3.224 N/A ARG 304.A NH1 GLU 131.A OE1 no hydrogen 2.569 N/A ARG 304.A NH2 GLU 131.A OE1 no hydrogen 2.814 N/A ARG 304.A NH2 ARG 309.A O no hydrogen 3.093 N/A ASN 305.A N HIS 311.A O no hydrogen 2.896 N/A ILE 307.A N ASN 305.A OD1 no hydrogen 2.809 N/A TRP 308.A N ASN 305.A OD1 no hydrogen 2.914 N/A ARG 309.A N ALA 3.A O no hydrogen 2.952 N/A ARG 309.A NH1 GLU 227.A OE1 no hydrogen 3.318 N/A ARG 309.A NH1 ASN 305.A O no hydrogen 3.042 N/A ARG 309.A NH2 GLU 227.A OE1 no hydrogen 3.449 N/A ARG 309.A NH2 GLU 227.A OE2 no hydrogen 2.452 N/A ARG 310.A NE TRP 4.A O no hydrogen 2.912 N/A ARG 310.A NH1 GLU 127.A O no hydrogen 2.869 N/A ARG 310.A NH2 ASP 6.A OD1 no hydrogen 2.857 N/A HIS 311.A N TRP 308.A O no hydrogen 3.049 N/A HIS 311.A ND1 MET 335.A O no hydrogen 3.032 N/A HIS 311.A NE2 GLN 5.A OE1 no hydrogen 2.905 N/A SER 313.A N GLN 303.A O no hydrogen 2.917 N/A ILE 314.A N PHE 333.A O no hydrogen 2.842 N/A THR 315.A N ARG 301.A O no hydrogen 2.942 N/A PHE 316.A N LYS 331.A O no hydrogen 2.944 N/A LEU 317.A N SER 299.A O no hydrogen 2.921 N/A TRP 318.A N LYS 329.A O no hydrogen 3.107 N/A ASN 319.A N ALA 297.A O no hydrogen 2.789 N/A ASN 319.A ND2 GLU 324.A O no hydrogen 2.903 N/A ASN 321.A N ILE 295.A O no hydrogen 2.890 N/A ASN 321.A ND2 ASP 294.A OD1 no hydrogen 2.772 N/A THR 327.A OG1 ASN 319.A OD1 no hydrogen 2.823 N/A VAL 328.A N VAL 325.A O no hydrogen 3.060 N/A LYS 329.A N TRP 318.A O no hydrogen 3.187 N/A THR 330.A OG1 PHE 316.A O no hydrogen 3.159 N/A LYS 331.A N PHE 316.A O no hydrogen 3.046 N/A LYS 331.A NZ LEU 192.A O no hydrogen 2.734 N/A LYS 331.A NZ MET 283.A O no hydrogen 2.876 N/A LYS 331.A NZ ASP 285.A OD1 no hydrogen 2.805 N/A CYS 332.A SG THR 315.A OG1 no hydrogen 3.384 N/A PHE 333.A N ILE 314.A O no hydrogen 2.747 N/A MET 335.A N LEU 312.A O no hydrogen 2.743 N/A TRP 336.A N PRO 334.A O no hydrogen 3.151 N/A