Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N ASN 317.A O no hydrogen 2.898 N/A SER 2.A OG VAL 3.A O no hydrogen 3.229 N/A SER 2.A OG LYS 313.A O no hydrogen 3.476 N/A VAL 3.A N ILE 315.A O no hydrogen 3.034 N/A ARG 4.A N THR 286.A O no hydrogen 2.916 N/A VAL 5.A N ASP 53.A OD2 no hydrogen 2.839 N/A VAL 6.A N MET 288.A O no hydrogen 2.884 N/A VAL 7.A N ALA 54.A O no hydrogen 3.147 N/A ARG 8.A N ALA 290.A O no hydrogen 3.045 N/A ARG 8.A NH1 GLN 62.A OE1 no hydrogen 2.819 N/A ARG 8.A NH1 THR 98.A OG1 no hydrogen 2.997 N/A ARG 8.A NH2 ALA 60.A O no hydrogen 3.028 N/A ARG 8.A NH2 GLN 62.A OE1 no hydrogen 3.166 N/A CYS 9.A N TYR 56.A O no hydrogen 2.938 N/A CYS 9.A SG ARG 10.A O no hydrogen 3.574 N/A CYS 9.A SG VAL 292.A O no hydrogen 3.975 N/A ARG 10.A N VAL 292.A O no hydrogen 3.085 N/A ARG 10.A NE GLY 92.A O no hydrogen 2.749 N/A ARG 10.A NH1 PRO 11.A O no hydrogen 2.897 N/A ARG 10.A NH1 GLU 16.A OE1 no hydrogen 2.923 N/A ARG 10.A NH2 GLU 16.A OE2 no hydrogen 2.914 N/A ASN 13.A N GLU 16.A OE1 no hydrogen 3.018 N/A GLU 16.A N ASN 13.A OD1 no hydrogen 2.875 N/A LYS 17.A N ASN 13.A O no hydrogen 2.960 N/A ALA 18.A N GLY 14.A O no hydrogen 2.806 N/A ALA 19.A N LYS 15.A O no hydrogen 3.041 N/A ALA 19.A N GLU 16.A O no hydrogen 3.183 N/A SER 20.A N LYS 17.A O no hydrogen 2.932 N/A TYR 21.A N GLU 16.A O no hydrogen 3.334 N/A ASP 22.A N SER 296.A OG no hydrogen 3.093 N/A VAL 24.A N PRO 294.A O no hydrogen 2.825 N/A ASP 26.A N SER 35.A O no hydrogen 2.818 N/A ASP 28.A N GLN 33.A O no hydrogen 2.867 N/A LEU 31.A N ASP 28.A OD1 no hydrogen 3.204 N/A GLY 32.A N VAL 29.A O no hydrogen 3.276 N/A GLN 33.A N ASP 28.A O no hydrogen 2.994 N/A GLN 33.A NE2 THR 51.A OG1 no hydrogen 3.124 N/A VAL 34.A N PHE 50.A O no hydrogen 2.933 N/A SER 35.A N ASP 26.A O no hydrogen 2.881 N/A SER 35.A OG THR 49.A OG1 no hydrogen 2.890 N/A VAL 36.A N LYS 48.A O no hydrogen 2.818 N/A LYS 37.A N VAL 24.A O no hydrogen 2.839 N/A LYS 37.A NZ ASP 26.A OD1 no hydrogen 2.955 N/A LYS 37.A NZ ASP 26.A OD2 no hydrogen 2.790 N/A ASN 38.A ND2 GLU 45.A OE1 no hydrogen 3.065 N/A LYS 40.A N ASN 38.A OD1 no hydrogen 2.937 N/A GLY 41.A N ASN 38.A O no hydrogen 2.888 N/A HIS 44.A N GLY 41.A O no hydrogen 2.909 N/A GLU 45.A N GLY 41.A O no hydrogen 3.006 N/A LYS 48.A N VAL 36.A O no hydrogen 2.911 N/A THR 49.A OG1 SER 35.A OG no hydrogen 2.890 N/A PHE 50.A N VAL 34.A O no hydrogen 2.865 N/A PHE 52.A N GLY 32.A O no hydrogen 2.887 N/A ASP 53.A N VAL 5.A O no hydrogen 2.908 N/A TYR 56.A N VAL 7.A O no hydrogen 2.786 N/A TYR 56.A OH GLU 68.A OE1 no hydrogen 2.772 N/A TYR 56.A OH THR 69.A OG1 no hydrogen 2.580 N/A ASN 59.A N ASP 57.A OD1 no hydrogen 2.863 N/A ALA 60.A N ASP 57.A O no hydrogen 3.038 N/A GLN 62.A NE2 TYR 97.A O no hydrogen 2.769 N/A GLN 62.A NE2 LYS 108.A O no hydrogen 2.933 N/A LEU 65.A N LYS 61.A O no hydrogen 3.206 N/A TYR 66.A N GLN 62.A O no hydrogen 2.949 N/A TYR 66.A OH HIS 118.A ND1 no hydrogen 2.716 N/A ASP 67.A N PHE 63.A O no hydrogen 2.909 N/A GLU 68.A N GLU 64.A O no hydrogen 3.033 N/A THR 69.A N LEU 65.A O no hydrogen 2.842 N/A THR 69.A OG1 TYR 56.A OH no hydrogen 2.580 N/A PHE 70.A N LEU 65.A O no hydrogen 3.144 N/A ARG 71.A N TYR 66.A O no hydrogen 2.767 N/A ARG 71.A NE ASP 67.A OD1 no hydrogen 2.856 N/A ARG 71.A NH2 ASP 67.A OD1 no hydrogen 3.067 N/A VAL 74.A N PHE 70.A O no hydrogen 2.967 N/A ASP 75.A N ARG 71.A O no hydrogen 2.759 N/A SER 76.A N PRO 72.A O no hydrogen 3.016 N/A SER 76.A OG PRO 72.A O no hydrogen 3.077 N/A VAL 77.A N LEU 73.A O no hydrogen 3.226 N/A LEU 78.A N VAL 74.A O no hydrogen 2.963 N/A GLN 79.A N ASP 75.A O no hydrogen 3.130 N/A GLN 79.A N SER 76.A O no hydrogen 2.992 N/A GLY 80.A N VAL 77.A O no hydrogen 3.043 N/A PHE 81.A N SER 76.A O no hydrogen 3.043 N/A ASN 82.A ND2 ASN 283.A O no hydrogen 2.949 N/A GLY 83.A N LYS 228.A O no hydrogen 2.922 N/A THR 84.A N LYS 285.A O no hydrogen 2.843 N/A THR 84.A OG1 SER 279.A OG no hydrogen 2.523 N/A ILE 85.A N ASN 230.A O no hydrogen 2.873 N/A PHE 86.A N VAL 287.A O no hydrogen 2.982 N/A ALA 87.A N VAL 232.A O no hydrogen 2.880 N/A TYR 88.A N VAL 289.A O no hydrogen 2.881 N/A GLN 90.A NE2 ASN 298.A OD1 no hydrogen 3.049 N/A THR 93.A N GLN 90.A O no hydrogen 3.222 N/A THR 93.A OG1 GLN 90.A O no hydrogen 2.641 N/A THR 93.A OG1 ASN 291.A O no hydrogen 3.282 N/A LYS 95.A NZ GLY 89.A O no hydrogen 3.079 N/A LYS 95.A NZ GLN 90.A O no hydrogen 3.068 N/A THR 96.A OG1 ASP 233.A OD2 no hydrogen 2.659 N/A THR 98.A N GLY 94.A O no hydrogen 2.877 N/A THR 98.A OG1 GLY 94.A O no hydrogen 2.872 N/A MET 99.A N LYS 95.A O no hydrogen 2.874 N/A GLU 100.A N THR 96.A O no hydrogen 2.769 N/A GLY 101.A N THR 96.A O no hydrogen 2.986 N/A ILE 102.A N LYS 108.A O no hydrogen 2.928 N/A GLU 107.A N ASP 105.A OD1 no hydrogen 3.098 N/A LYS 108.A N ASP 105.A O no hydrogen 2.740 N/A ARG 109.A N PRO 106.A O no hydrogen 3.351 N/A ARG 109.A NE.A ARG 103.A O no hydrogen 2.978 N/A ARG 109.A NH2.A ARG 103.A O no hydrogen 3.079 N/A ARG 109.A NH2.B ARG 103.A O no hydrogen 3.402 N/A GLY 110.A N GLU 100.A O no hydrogen 2.989 N/A VAL 111.A N THR 98.A O no hydrogen 2.960 N/A ILE 112.A N MET 99.A O no hydrogen 2.811 N/A ASN 114.A N GLY 110.A O no hydrogen 3.004 N/A ASN 114.A ND2 ARG 109.A O no hydrogen 3.003 N/A SER 115.A N VAL 111.A O no hydrogen 2.819 N/A SER 115.A OG ILE 112.A O no hydrogen 2.754 N/A PHE 116.A N ILE 112.A O no hydrogen 3.223 N/A ASP 117.A N PRO 113.A O no hydrogen 3.240 N/A HIS 118.A N ASN 114.A O no hydrogen 3.023 N/A HIS 118.A ND1 TYR 66.A OH no hydrogen 2.716 N/A ILE 119.A N SER 115.A O no hydrogen 2.866 N/A PHE 120.A N PHE 116.A O no hydrogen 2.948 N/A THR 121.A N ASP 117.A O no hydrogen 2.957 N/A THR 121.A OG1 ASP 117.A O no hydrogen 2.876 N/A THR 121.A OG1 ASP 117.A OD1 no hydrogen 3.320 N/A HIS 122.A N HIS 118.A O no hydrogen 2.873 N/A HIS 122.A NE2 TYR 131.A OH no hydrogen 2.765 N/A ILE 123.A N ILE 119.A O no hydrogen 2.989 N/A SER 124.A N PHE 120.A O no hydrogen 2.921 N/A SER 124.A OG THR 121.A O no hydrogen 2.829 N/A ARG 125.A N THR 121.A O no hydrogen 3.177 N/A ARG 125.A N HIS 122.A O no hydrogen 3.164 N/A SER 126.A N ILE 123.A O no hydrogen 3.100 N/A SER 126.A OG ILE 123.A O no hydrogen 2.615 N/A GLN 129.A NE2 GLU 220.A OE1 no hydrogen 2.873 N/A GLN 130.A N SER 219.A O no hydrogen 2.837 N/A TYR 131.A OH GLN 129.A OE1 no hydrogen 2.934 N/A LEU 132.A N GLU 217.A O no hydrogen 2.840 N/A ARG 134.A N THR 215.A O no hydrogen 2.932 N/A ARG 134.A NH2 GLU 217.A OE2 no hydrogen 3.086 N/A ALA 135.A N PHE 175.A O no hydrogen 2.934 N/A SER 136.A N VAL 213.A O no hydrogen 2.910 N/A SER 136.A OG SER 173.A O no hydrogen 2.688 N/A TYR 137.A OH ASN 191.A OD1 no hydrogen 2.527 N/A LEU 138.A N ILE 211.A O no hydrogen 3.017 N/A GLU 139.A N ARG 146.A O no hydrogen 2.913 N/A ILE 140.A N HIS 209.A O no hydrogen 2.840 N/A TYR 141.A N GLU 144.A O no hydrogen 3.014 N/A GLU 144.A N TYR 141.A O no hydrogen 3.078 N/A ARG 146.A N GLU 139.A O no hydrogen 2.927 N/A ARG 146.A NH1 GLN 153.A OE1 no hydrogen 2.889 N/A ARG 146.A NH1 ASN 193.A O no hydrogen 2.859 N/A ARG 146.A NH2 GLU 139.A OE2 no hydrogen 2.894 N/A ARG 146.A NH2 ARG 194.A O no hydrogen 2.916 N/A LEU 148.A N TYR 137.A O no hydrogen 2.894 N/A LEU 149.A N ASP 147.A OD1 no hydrogen 2.817 N/A SER 150.A N ASP 147.A O no hydrogen 3.442 N/A SER 150.A OG ASP 147.A O no hydrogen 2.983 N/A GLN 153.A NE2 ASP 147.A O no hydrogen 2.835 N/A GLN 153.A NE2 SER 150.A O no hydrogen 2.735 N/A THR 154.A N ASP 152.A OD1 no hydrogen 2.780 N/A THR 154.A OG1 ASP 152.A OD1 no hydrogen 2.507 N/A THR 154.A OG1 ASP 152.A OD2 no hydrogen 3.437 N/A ARG 156.A NH1 GLN 153.A O no hydrogen 2.946 N/A ARG 156.A NH1 LYS 155.A O no hydrogen 2.836 N/A LEU 157.A N ILE 145.A O no hydrogen 2.946 N/A LYS 160.A N TYR 168.A O no hydrogen 2.908 N/A ARG 162.A N GLY 166.A O no hydrogen 2.975 N/A GLY 166.A N ARG 162.A O no hydrogen 2.907 N/A TYR 168.A N LYS 160.A O no hydrogen 2.821 N/A LYS 170.A N GLU 158.A O no hydrogen 2.929 N/A LEU 172.A N VAL 169.A O no hydrogen 3.293 N/A SER 173.A N ASP 147.A OD2 no hydrogen 2.881 N/A SER 173.A OG ASP 147.A OD1 no hydrogen 3.236 N/A SER 173.A OG ASP 147.A OD2 no hydrogen 2.817 N/A PHE 175.A N ALA 135.A O no hydrogen 2.913 N/A THR 177.A N VAL 133.A O no hydrogen 2.906 N/A THR 177.A OG1 VAL 133.A O no hydrogen 3.362 N/A LYS 178.A N GLU 182.A OE1 no hydrogen 2.675 N/A GLU 182.A N SER 179.A OG no hydrogen 3.129 N/A ILE 183.A N SER 179.A O no hydrogen 3.091 N/A GLU 184.A N VAL 180.A O no hydrogen 2.866 N/A HIS 185.A N LYS 181.A O no hydrogen 3.069 N/A VAL 186.A N GLU 182.A O no hydrogen 3.175 N/A MET 187.A N ILE 183.A O no hydrogen 3.083 N/A ASN 188.A N GLU 184.A O no hydrogen 2.954 N/A VAL 189.A N HIS 185.A O no hydrogen 2.861 N/A GLY 190.A N VAL 186.A O no hydrogen 3.040 N/A ASN 191.A N MET 187.A O no hydrogen 2.908 N/A GLN 192.A N ASN 188.A O no hydrogen 3.052 N/A ASN 193.A N VAL 189.A O no hydrogen 3.113 N/A ASN 193.A ND2 LEU 148.A O no hydrogen 2.662 N/A ARG 194.A N GLY 190.A O no hydrogen 2.970 N/A ARG 194.A NE GLU 139.A OE1 no hydrogen 2.715 N/A ARG 194.A NH2 SER 208.A OG no hydrogen 2.937 N/A SER 195.A OG GLN 192.A O no hydrogen 3.304 N/A VAL 196.A N ASN 193.A O no hydrogen 3.100 N/A ALA 198.A N SER 195.A O no hydrogen 2.942 N/A GLU 203.A N ASN 200.A OD1 no hydrogen 2.704 N/A HIS 204.A N ASN 200.A O no hydrogen 2.867 N/A HIS 204.A NE2 GLU 139.A OE1 no hydrogen 2.887 N/A SER 205.A N MET 201.A O no hydrogen 2.861 N/A SER 205.A OG MET 201.A O no hydrogen 3.262 N/A SER 205.A OG ASN 202.A O no hydrogen 3.305 N/A SER 206.A N ASN 202.A O no hydrogen 3.135 N/A SER 206.A OG GLU 203.A O no hydrogen 2.624 N/A ARG 207.A N HIS 204.A O no hydrogen 3.105 N/A SER 208.A OG GLU 139.A OE1 no hydrogen 3.562 N/A SER 208.A OG HIS 204.A O no hydrogen 2.749 N/A HIS 209.A N ILE 140.A O no hydrogen 2.885 N/A HIS 209.A NE2 ASN 247.A OD1 no hydrogen 2.813 N/A ALA 210.A N ASP 233.A O no hydrogen 2.962 N/A ILE 211.A N LEU 138.A O no hydrogen 2.869 N/A PHE 212.A N LEU 231.A O no hydrogen 2.916 N/A VAL 213.A N SER 136.A O no hydrogen 2.840 N/A ILE 214.A N LEU 229.A O no hydrogen 2.868 N/A THR 215.A N ARG 134.A O no hydrogen 2.805 N/A ILE 216.A N GLY 227.A O no hydrogen 2.873 N/A GLU 217.A N LEU 132.A O no hydrogen 2.911 N/A CYS 218.A N ARG 225.A O no hydrogen 2.976 N/A CYS 218.A SG GLN 130.A O no hydrogen 3.930 N/A SER 219.A N GLN 130.A O no hydrogen 2.708 N/A GLU 220.A N HIS 223.A O no hydrogen 2.981 N/A HIS 223.A N GLU 220.A O no hydrogen 2.822 N/A ARG 225.A N CYS 218.A O no hydrogen 2.940 N/A ARG 225.A NH1 GLU 220.A OE1 no hydrogen 3.414 N/A ARG 225.A NH2 GLU 220.A OE1 no hydrogen 2.936 N/A VAL 226.A N ASN 322.A O no hydrogen 3.130 N/A GLY 227.A N ILE 216.A O no hydrogen 2.945 N/A LYS 228.A N ASN 82.A OD1 no hydrogen 2.978 N/A LEU 229.A N ILE 214.A O no hydrogen 2.704 N/A ASN 230.A N GLY 83.A O no hydrogen 2.945 N/A LEU 231.A N PHE 212.A O no hydrogen 2.756 N/A VAL 232.A N ILE 85.A O no hydrogen 2.804 N/A ASP 233.A N ALA 210.A O no hydrogen 2.914 N/A LEU 234.A N ALA 87.A O no hydrogen 3.241 N/A ALA 235.A N HIS 209.A ND1 no hydrogen 3.083 N/A GLY 236.A N SER 206.A O no hydrogen 2.890 N/A SER 237.A N GLY 89.A O no hydrogen 3.046 N/A ILE 246.A N ALA 243.A O no hydrogen 3.248 N/A SER 249.A OG GLU 143.A OE1 no hydrogen 2.546 N/A LEU 250.A N ASN 247.A OD1 no hydrogen 3.100 N/A SER 251.A N ASN 247.A O no hydrogen 2.889 N/A SER 251.A OG ASN 247.A O no hydrogen 3.243 N/A ALA 252.A N LEU 248.A O no hydrogen 3.159 N/A LEU 253.A N SER 249.A O no hydrogen 2.863 N/A GLY 254.A N LEU 250.A O no hydrogen 2.946 N/A ASN 255.A N SER 251.A O no hydrogen 3.119 N/A VAL 256.A N ALA 252.A O no hydrogen 2.953 N/A ILE 257.A N LEU 253.A O no hydrogen 3.005 N/A SER 258.A N GLY 254.A O no hydrogen 2.866 N/A SER 258.A OG GLY 254.A O no hydrogen 3.163 N/A ALA 259.A N ASN 255.A O no hydrogen 3.035 N/A LEU 260.A N VAL 256.A O no hydrogen 2.983 N/A VAL 261.A N ILE 257.A O no hydrogen 3.151 N/A TYR 267.A N ILE 265.A O no hydrogen 2.830 N/A TYR 267.A OH LEU 280.A O no hydrogen 2.692 N/A ASP 269.A N PRO 266.A O no hydrogen 3.487 N/A SER 270.A OG THR 273.A OG1 no hydrogen 2.796 N/A LYS 271.A N GLU 143.A OE2 no hydrogen 2.832 N/A LYS 271.A NZ GLU 143.A O no hydrogen 2.869 N/A THR 273.A N SER 270.A OG no hydrogen 3.119 N/A THR 273.A OG1 TYR 267.A O no hydrogen 2.635 N/A THR 273.A OG1 SER 270.A O no hydrogen 3.396 N/A THR 273.A OG1 SER 270.A OG no hydrogen 2.796 N/A ARG 274.A N SER 270.A O no hydrogen 3.099 N/A ARG 274.A NH2 GLU 161.A OE2 no hydrogen 2.973 N/A LEU 275.A N LYS 271.A O no hydrogen 2.959 N/A LEU 276.A N LEU 272.A O no hydrogen 2.753 N/A GLN 277.A N ARG 274.A O no hydrogen 3.240 N/A SER 279.A OG THR 84.A OG1 no hydrogen 2.523 N/A LEU 280.A N LEU 276.A O no hydrogen 3.018 N/A LEU 280.A N GLN 277.A O no hydrogen 3.170 N/A GLY 281.A N ASN 317.A OD1 no hydrogen 2.676 N/A GLY 282.A N ASP 278.A O no hydrogen 2.992 N/A ASN 283.A N ASP 278.A OD1 no hydrogen 3.030 N/A ASN 283.A ND2 ASN 322.A OD1 no hydrogen 2.800 N/A ALA 284.A N GLY 282.A O no hydrogen 3.086 N/A LYS 285.A N ASN 82.A O no hydrogen 2.894 N/A LYS 285.A NZ GLU 1.A OE1 no hydrogen 3.353 N/A THR 286.A OG1 SER 279.A O no hydrogen 2.702 N/A VAL 287.A N THR 84.A O no hydrogen 2.788 N/A MET 288.A N ARG 4.A O no hydrogen 2.781 N/A VAL 289.A N PHE 86.A O no hydrogen 2.793 N/A ALA 290.A N VAL 6.A O no hydrogen 2.820 N/A ASN 291.A N TYR 88.A O no hydrogen 2.780 N/A ASN 291.A ND2 THR 98.A OG1 no hydrogen 3.188 N/A VAL 292.A N ARG 8.A O no hydrogen 2.942 N/A SER 296.A N ASP 22.A O no hydrogen 2.792 N/A SER 296.A OG ASP 22.A O no hydrogen 3.479 N/A ASN 298.A N ALA 295.A O no hydrogen 3.269 N/A VAL 299.A N SER 296.A O no hydrogen 3.179 N/A THR 302.A N ASN 298.A O no hydrogen 2.931 N/A THR 302.A OG1 GLY 293.A O no hydrogen 3.409 N/A THR 302.A OG1 ASN 298.A O no hydrogen 3.177 N/A LEU 303.A N VAL 299.A O no hydrogen 2.805 N/A THR 304.A N GLU 300.A O no hydrogen 3.018 N/A THR 304.A OG1 GLU 300.A O no hydrogen 2.859 N/A THR 305.A N GLU 301.A O no hydrogen 2.979 N/A THR 305.A OG1 GLU 301.A O no hydrogen 3.320 N/A LEU 306.A N THR 302.A O no hydrogen 2.912 N/A ARG 307.A N LEU 303.A O no hydrogen 2.911 N/A TYR 308.A N THR 304.A O no hydrogen 2.948 N/A ALA 309.A N THR 305.A O no hydrogen 2.851 N/A ASN 310.A N LEU 306.A O no hydrogen 2.763 N/A ARG 311.A N ARG 307.A O no hydrogen 3.095 N/A ALA 312.A N TYR 308.A O no hydrogen 3.145 N/A LYS 313.A N ALA 309.A O no hydrogen 3.322 N/A LYS 313.A NZ THR 51.A O no hydrogen 2.613 N/A LYS 313.A NZ ASN 310.A OD1 no hydrogen 2.954 N/A ASN 314.A N ARG 311.A O no hydrogen 3.008 N/A ILE 315.A N ALA 312.A O no hydrogen 2.986 N/A ASN 317.A N GLU 1.A O no hydrogen 2.638 N/A ASN 317.A ND2 SER 279.A O no hydrogen 2.983 N/A ASN 317.A ND2 ALA 284.A O no hydrogen 2.953 N/A LYS 318.A N GLY 282.A O no hydrogen 2.887 N/A ARG 320.A N ASN 283.A OD1 no hydrogen 2.774 N/A ASN 322.A N GLY 80.A O no hydrogen 2.899 N/A ASN 322.A ND2 GLY 80.A O no hydrogen 2.924 N/A ASN 322.A ND2 VAL 226.A O no hydrogen 3.492 N/A