Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a55_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N LEU 60.A O no hydrogen 2.709 N/A LYS 3.A NZ.B ASP 4.A O no hydrogen 3.268 N/A PHE 5.A N ILE 58.A O no hydrogen 2.880 N/A GLY 6.A N ASP 4.A OD1 no hydrogen 2.848 N/A LYS 7.A NZ ASP 77.A OD1 no hydrogen 3.420 N/A LYS 7.A NZ ASP 77.A OD2 no hydrogen 3.075 N/A THR 8.A N VAL 56.A O no hydrogen 3.039 N/A VAL 11.A N SER 23.A O no hydrogen 2.784 N/A ASP 14.A N LYS 21.A O no hydrogen 2.827 N/A GLU 16.A N MET 19.A O no hydrogen 2.796 N/A MET 19.A N GLU 16.A O no hydrogen 2.819 N/A ILE 20.A N ILE 33.A O no hydrogen 3.068 N/A LYS 21.A N ASP 14.A O no hydrogen 2.719 N/A LYS 21.A NZ GLU 16.A OE1 no hydrogen 2.766 N/A VAL 22.A N TYR 31.A O no hydrogen 2.798 N/A SER 23.A N GLY 12.A O no hydrogen 2.973 N/A MET 25.A N VAL 9.A O no hydrogen 2.898 N/A THR 27.A N MET 25.A O no hydrogen 2.794 N/A THR 27.A OG1 ASP 135.A OD1 no hydrogen 2.640 N/A GLN 28.A N ASP 135.A OD2 no hydrogen 2.966 N/A GLN 29.A N THR 27.A OG1 no hydrogen 3.173 N/A TYR 31.A N VAL 22.A O no hydrogen 2.844 N/A GLU 32.A N ASN 65.A O no hydrogen 2.897 N/A ILE 33.A N ILE 20.A O no hydrogen 2.936 N/A LYS 34.A NZ.A GLU 66.A OE1 no hydrogen 3.210 N/A LYS 34.A NZ.A GLU 66.A OE2 no hydrogen 2.729 N/A THR 36.A N LYS 34.A O no hydrogen 2.872 N/A ASN 39.A N THR 36.A O no hydrogen 3.017 N/A ASN 39.A N THR 36.A OG1 no hydrogen 3.342 N/A ASN 39.A ND2 LYS 34.A O no hydrogen 2.908 N/A GLU 40.A N LYS 37.A O no hydrogen 3.194 N/A ILE 43.A N ASN 39.A O no hydrogen 2.947 N/A GLY 44.A N GLU 40.A O no hydrogen 3.105 N/A MET 45.A N GLN 41.A O no hydrogen 2.894 N/A LEU 46.A N TYR 42.A O no hydrogen 3.019 N/A ARG 47.A N ILE 43.A O no hydrogen 2.858 N/A GLN 48.A N GLY 44.A O no hydrogen 2.914 N/A ALA 49.A N MET 45.A O no hydrogen 2.982 N/A VAL 50.A N LEU 46.A O no hydrogen 2.869 N/A LYS 51.A N ARG 47.A O no hydrogen 3.063 N/A LYS 51.A NZ GLN 48.A OE1 no hydrogen 3.047 N/A ASN 52.A N GLN 48.A O no hydrogen 3.053 N/A GLU 53.A N VAL 50.A O no hydrogen 3.364 N/A SER 54.A N ALA 49.A O no hydrogen 2.954 N/A SER 54.A OG.C ASN 52.A O no hydrogen 3.383 N/A VAL 56.A N THR 8.A O no hydrogen 2.856 N/A HIS 57.A N GLU 71.A O no hydrogen 2.784 N/A HIS 57.A NE2 ASP 4.A OD1 no hydrogen 2.600 N/A ILE 58.A N GLY 6.A O no hydrogen 2.953 N/A PHE 59.A N LYS 69.A O no hydrogen 2.975 N/A LEU 60.A N LYS 3.A O no hydrogen 2.745 N/A LYS 61.A N GLU 66.A O no hydrogen 2.823 N/A LYS 61.A NZ GLU 66.A OE2 no hydrogen 2.922 N/A SER 64.A OG LYS 61.A O no hydrogen 2.868 N/A ASN 65.A ND2 PHE 30.A O no hydrogen 2.902 N/A GLU 66.A N SER 64.A OG no hydrogen 2.959 N/A ILE 67.A N GLU 32.A O no hydrogen 2.756 N/A GLY 68.A N PHE 59.A O no hydrogen 2.801 N/A LYS 69.A N PHE 59.A O no hydrogen 3.313 N/A LYS 69.A NZ GLU 71.A OE2 no hydrogen 3.455 N/A GLU 71.A N HIS 57.A O no hydrogen 2.822 N/A SER 74.A N ASP 77.A OD2 no hydrogen 2.859 N/A SER 74.A OG GLU 76.A OE2.A no hydrogen 3.435 N/A ASP 77.A N SER 74.A OG no hydrogen 2.977 N/A VAL 78.A N SER 74.A O no hydrogen 3.007 N/A ARG 79.A N PRO 75.A O no hydrogen 3.000 N/A TYR 80.A N GLU 76.A O no hydrogen 2.985 N/A PHE 81.A N ASP 77.A O no hydrogen 2.994 N/A LYS 82.A N VAL 78.A O no hydrogen 3.124 N/A THR 83.A N ARG 79.A O no hydrogen 3.237 N/A THR 83.A N TYR 80.A O no hydrogen 2.910 N/A THR 83.A OG1 TYR 80.A O no hydrogen 2.643 N/A ILE 84.A N TYR 80.A O no hydrogen 3.189 N/A LEU 85.A N PHE 81.A O no hydrogen 2.886 N/A THR 86.A N TYR 245.A O no hydrogen 2.887 N/A LYS 87.A NZ SER 242.A O no hydrogen 2.924 N/A LYS 87.A NZ SER 244.A OG no hydrogen 2.804 N/A GLU 88.A N THR 86.A OG1 no hydrogen 2.909 N/A LYS 90.A N TYR 247.A OH no hydrogen 3.166 N/A ALA 97.A N GLY 152.A O no hydrogen 3.019 N/A ILE 100.A N SER 184.A O no hydrogen 2.826 N/A THR 105.A N ASP 102.A OD2 no hydrogen 2.851 N/A THR 105.A OG1 ASP 102.A OD2 no hydrogen 2.666 N/A LEU 106.A N ASP 102.A O no hydrogen 3.055 N/A ASN 107.A N VAL 103.A O no hydrogen 2.811 N/A SER 108.A N ALA 104.A O no hydrogen 2.998 N/A LEU 109.A N THR 105.A O no hydrogen 2.914 N/A PHE 110.A N LEU 106.A O no hydrogen 2.902 N/A ASN 111.A N ASN 107.A O no hydrogen 2.908 N/A GLN 112.A N SER 108.A O no hydrogen 2.912 N/A GLN 112.A NE2 SER 108.A OG no hydrogen 3.332 N/A GLN 112.A NE2 ASN 151.A OD1 no hydrogen 3.005 N/A ILE 113.A N LEU 109.A O no hydrogen 2.939 N/A LYS 114.A N PHE 110.A O no hydrogen 2.854 N/A LYS 114.A NZ SER 203.A O no hydrogen 2.864 N/A ASN 115.A N ASN 111.A O no hydrogen 2.852 N/A GLN 116.A N ILE 113.A O no hydrogen 2.918 N/A SER 117.A N LYS 114.A O no hydrogen 3.023 N/A SER 117.A OG LYS 114.A O no hydrogen 2.621 N/A CYS 118.A N ILE 128.A O no hydrogen 2.852 N/A CYS 118.A SG SER 262.A O no hydrogen 3.940 N/A THR 120.A N SER 117.A O no hydrogen 3.169 N/A THR 120.A OG1.B ASN 115.A O no hydrogen 3.358 N/A THR 120.A OG1.B SER 117.A O no hydrogen 2.754 N/A THR 120.A OG1.B THR 122.A OG1 no hydrogen 3.344 N/A THR 122.A OG1 ASN 115.A O no hydrogen 2.732 N/A THR 122.A OG1 THR 120.A OG1.B no hydrogen 3.344 N/A ALA 123.A N THR 120.A O no hydrogen 3.153 N/A SER 124.A N GLN 116.A OE1 no hydrogen 2.842 N/A SER 124.A OG.B SER 125.A O no hydrogen 3.552 N/A CYS 127.A SG SER 262.A OG.A no hydrogen 3.599 N/A ILE 128.A N GLN 116.A O no hydrogen 2.796 N/A PHE 130.A N ILE 128.A O no hydrogen 2.883 N/A ARG 131.A NH2 SER 262.A O no hydrogen 2.914 N/A TYR 132.A N THR 129.A O no hydrogen 2.950 N/A TYR 132.A OH PRO 269.A O no hydrogen 2.620 N/A GLY 136.A N ASP 135.A OD2 no hydrogen 2.804 N/A CYS 137.A N GLN 28.A OE1 no hydrogen 2.859 N/A ARG 140.A N GLY 136.A O no hydrogen 3.026 N/A ARG 140.A NH2 SER 200.A OG.A no hydrogen 3.040 N/A ALA 141.A N CYS 137.A O no hydrogen 2.882 N/A HIS 142.A N TYR 138.A O no hydrogen 3.106 N/A LYS 143.A N ALA 139.A O no hydrogen 2.978 N/A LYS 143.A NZ GLN 146.A OE1 no hydrogen 2.789 N/A LYS 143.A NZ ASN 255.A OD1 no hydrogen 2.833 N/A MET 144.A N ARG 140.A O no hydrogen 2.925 N/A ARG 145.A N ALA 141.A O no hydrogen 2.939 N/A ARG 145.A NE ASP 154.A OD1 no hydrogen 2.764 N/A ARG 145.A NH2 GLN 92.A OE1 no hydrogen 2.747 N/A ARG 145.A NH2 ASP 154.A OD1 no hydrogen 3.495 N/A ARG 145.A NH2 ASP 154.A OD2 no hydrogen 3.111 N/A GLN 146.A N HIS 142.A O no hydrogen 3.059 N/A ILE 147.A N LYS 143.A O no hydrogen 3.220 N/A LEU 148.A N MET 144.A O no hydrogen 3.236 N/A MET 149.A N ARG 145.A O no hydrogen 2.910 N/A ASN 150.A N GLN 146.A O no hydrogen 2.852 N/A ASN 151.A N ILE 147.A O no hydrogen 3.278 N/A ASN 151.A N LEU 148.A O no hydrogen 2.914 N/A ASN 151.A ND2 GLN 112.A OE1 no hydrogen 2.927 N/A ASN 151.A ND2 ILE 147.A O no hydrogen 2.822 N/A GLY 152.A N MET 149.A O no hydrogen 2.891 N/A TYR 153.A N LEU 148.A O no hydrogen 2.934 N/A ASP 154.A N ALA 97.A O no hydrogen 2.926 N/A CYS 155.A N ASP 154.A OD1 no hydrogen 2.713 N/A CYS 155.A SG GLU 156.A O no hydrogen 3.601 N/A GLU 156.A N LEU 182.A O no hydrogen 2.980 N/A LYS 157.A N THR 232.A O no hydrogen 2.919 N/A LYS 157.A NZ HIS 142.A ND1 no hydrogen 2.836 N/A LYS 157.A NZ GLY 234.A O no hydrogen 3.065 N/A LYS 157.A NZ VAL 236.A O no hydrogen 2.817 N/A GLN 158.A N ALA 180.A O no hydrogen 3.092 N/A GLN 158.A NE2 ASP 209.A OD1 no hydrogen 3.021 N/A GLN 158.A NE2 ASN 231.A OD1 no hydrogen 2.876 N/A PHE 159.A N ALA 230.A O no hydrogen 2.886 N/A VAL 160.A N HIS 178.A O no hydrogen 2.880 N/A TYR 161.A N SER 228.A O no hydrogen 2.856 N/A TYR 161.A OH ARG 239.A O no hydrogen 2.646 N/A GLY 162.A N SER 176.A O no hydrogen 3.030 N/A ASN 163.A N SER 225.A O no hydrogen 2.909 N/A ASN 163.A ND2 SER 223.A OG no hydrogen 3.024 N/A LEU 164.A N TRP 175.A O no hydrogen 3.027 N/A LYS 165.A N CYS 216.A O no hydrogen 2.849 N/A LYS 165.A NZ SER 223.A O no hydrogen 2.718 N/A ALA 166.A N VAL 173.A O no hydrogen 3.008 N/A THR 168.A N CYS 171.A O no hydrogen 2.938 N/A THR 168.A OG1 THR 170.A OG1 no hydrogen 3.389 N/A THR 168.A OG1 CYS 171.A O no hydrogen 3.435 N/A GLY 169.A N SER 167.A OG no hydrogen 2.915 N/A THR 170.A N THR 168.A OG1 no hydrogen 3.091 N/A THR 170.A OG1 THR 168.A OG1 no hydrogen 3.389 N/A CYS 171.A N THR 168.A OG1 no hydrogen 3.169 N/A CYS 171.A SG THR 168.A OG1 no hydrogen 3.676 N/A VAL 173.A N ALA 166.A O no hydrogen 2.893 N/A TRP 175.A N LEU 164.A O no hydrogen 2.939 N/A TRP 175.A NE1 PRO 133.A O no hydrogen 2.799 N/A SER 176.A N GLN 28.A O no hydrogen 2.867 N/A SER 176.A OG GLN 28.A O no hydrogen 3.568 N/A TYR 177.A OH LEU 26.A O no hydrogen 2.647 N/A HIS 178.A N VAL 160.A O no hydrogen 2.888 N/A HIS 178.A NE2 ASP 198.A OD2 no hydrogen 2.753 N/A ALA 180.A N GLN 158.A O no hydrogen 3.298 N/A LEU 182.A N GLU 156.A O no hydrogen 2.840 N/A VAL 183.A N ARG 195.A O no hydrogen 2.759 N/A TYR 185.A N GLU 193.A O no hydrogen 2.888 N/A LYS 186.A N ILE 100.A O no hydrogen 2.916 N/A ASN 187.A N VAL 191.A O no hydrogen 2.803 N/A ASN 187.A ND2 GLU 193.A OE2 no hydrogen 2.873 N/A SER 189.A N ASN 187.A OD1 no hydrogen 2.857 N/A SER 189.A OG.A ASN 187.A OD1 no hydrogen 2.916 N/A GLY 190.A N ASN 187.A O no hydrogen 2.923 N/A VAL 191.A N ASN 187.A OD1 no hydrogen 2.988 N/A GLU 193.A N TYR 185.A O no hydrogen 2.816 N/A LYS 194.A NZ GLU 156.A OE1 no hydrogen 2.772 N/A ARG 195.A N VAL 183.A O no hydrogen 2.922 N/A ARG 195.A NH1 GLU 193.A OE1 no hydrogen 3.080 N/A ARG 195.A NH1 LYS 194.A O no hydrogen 2.903 N/A ARG 195.A NH2 GLU 193.A OE1 no hydrogen 3.019 N/A ILE 196.A N VAL 207.A O no hydrogen 2.770 N/A ILE 197.A N ILE 181.A O no hydrogen 3.036 N/A SER 200.A N ASP 198.A OD1 no hydrogen 2.949 N/A SER 200.A OG.A ASP 198.A OD1 no hydrogen 2.635 N/A SER 200.A OG.A ASP 198.A OD2 no hydrogen 3.411 N/A SER 200.A OG.B PHE 130.A O no hydrogen 3.408 N/A LEU 201.A N ASP 198.A O no hydrogen 3.008 N/A PHE 202.A N ASP 198.A O no hydrogen 2.847 N/A VAL 207.A N ILE 196.A O no hydrogen 2.959 N/A THR 208.A OG1 THR 210.A OG1.B no hydrogen 2.897 N/A THR 210.A OG1.B THR 208.A OG1 no hydrogen 2.897 N/A ALA 211.A N THR 208.A OG1 no hydrogen 2.997 N/A TRP 212.A N THR 208.A O no hydrogen 2.939 N/A TRP 212.A NE1 ASP 198.A OD2 no hydrogen 2.855 N/A ARG 213.A N ASP 209.A O no hydrogen 2.860 N/A ARG 213.A NH1 GLN 158.A OE1 no hydrogen 2.824 N/A ARG 213.A NH1 ASP 209.A OD1 no hydrogen 2.983 N/A ASN 214.A N THR 210.A O no hydrogen 3.041 N/A ALA 215.A N ALA 211.A O no hydrogen 3.110 N/A ALA 215.A N TRP 212.A O no hydrogen 3.049 N/A CYS 216.A N ARG 213.A O no hydrogen 2.948 N/A CYS 216.A SG TRP 212.A O no hydrogen 3.567 N/A VAL 217.A N ASN 214.A O no hydrogen 3.119 N/A ASN 218.A N LYS 165.A O no hydrogen 2.842 N/A SER 220.A N ASN 218.A OD1 no hydrogen 3.076 N/A SER 220.A OG.A ASN 218.A OD1 no hydrogen 2.728 N/A SER 220.A OG.B ASN 218.A OD1 no hydrogen 3.376 N/A CYS 221.A N ASN 218.A O no hydrogen 2.965 N/A GLY 222.A N THR 219.A O no hydrogen 3.215 N/A SER 223.A OG GLU 16.A OE2 no hydrogen 2.884 N/A SER 225.A N ASN 163.A O no hydrogen 2.932 N/A SER 227.A N TYR 161.A O no hydrogen 2.763 N/A SER 227.A OG.D TYR 161.A O no hydrogen 2.891 N/A SER 228.A N TYR 161.A O no hydrogen 3.264 N/A ALA 230.A N PHE 159.A O no hydrogen 2.846 N/A THR 232.A N LYS 157.A O no hydrogen 2.865 N/A THR 232.A OG1 ALA 233.A O no hydrogen 2.895 N/A ASN 235.A ND2 LYS 90.A O no hydrogen 2.708 N/A VAL 236.A N ALA 233.A O no hydrogen 3.137 N/A TYR 237.A N LEU 246.A O no hydrogen 2.880 N/A TYR 237.A OH ASN 253.A OD1 no hydrogen 2.683 N/A TYR 238.A N LEU 246.A O no hydrogen 3.163 N/A ARG 239.A NE ASN 243.A OD1 no hydrogen 2.837 N/A ARG 239.A NH1 TYR 161.A OH no hydrogen 2.963 N/A ARG 239.A NH2 ASN 243.A OD1 no hydrogen 3.565 N/A SER 240.A N SER 244.A O no hydrogen 2.858 N/A SER 240.A OG GLU 53.A OE2 no hydrogen 2.613 N/A SER 242.A N SER 240.A OG no hydrogen 3.140 N/A ASN 243.A N SER 240.A O no hydrogen 2.910 N/A SER 244.A N SER 240.A OG no hydrogen 3.099 N/A SER 244.A OG GLU 53.A OE1 no hydrogen 2.661 N/A SER 244.A OG GLU 53.A OE2 no hydrogen 3.556 N/A TYR 245.A N THR 86.A O no hydrogen 2.794 N/A LEU 246.A N TYR 238.A O no hydrogen 2.824 N/A LEU 251.A N ASP 248.A O no hydrogen 3.050 N/A ASN 253.A N ASP 248.A OD1 no hydrogen 2.897 N/A ASN 253.A ND2 GLY 279.A O no hydrogen 2.990 N/A THR 254.A N ASP 248.A OD2 no hydrogen 2.812 N/A THR 254.A OG1 ASP 248.A OD2 no hydrogen 2.733 N/A ASN 255.A N LEU 251.A O no hydrogen 2.893 N/A CYS 256.A N ILE 252.A O no hydrogen 3.256 N/A VAL 257.A N ASN 253.A O no hydrogen 2.878 N/A LEU 258.A N THR 254.A O no hydrogen 2.989 N/A THR 259.A N ASN 255.A O no hydrogen 2.904 N/A THR 259.A OG1 ASN 255.A O no hydrogen 2.797 N/A LYS 260.A N CYS 256.A O no hydrogen 2.998 N/A PHE 261.A N VAL 257.A O no hydrogen 2.985 N/A SER 262.A N THR 259.A O no hydrogen 3.297 N/A SER 262.A OG.B THR 259.A O no hydrogen 2.968 N/A LEU 264.A N PHE 261.A O no hydrogen 2.962 N/A SER 265.A OG.A ARG 131.A O no hydrogen 3.542 N/A GLY 266.A N ARG 131.A O no hydrogen 2.856 N/A CYS 267.A SG CYS 172.A O no hydrogen 3.613 N/A ALA 272.A N GLN 29.A OE1 no hydrogen 3.424 N/A SER 276.A N ASP 274.A OD1 no hydrogen 2.829 N/A SER 276.A OG.A ASP 274.A OD1 no hydrogen 2.675 N/A SER 276.A OG.B ASP 274.A OD1 no hydrogen 2.663 N/A CYS 278.A N VAL 275.A O no hydrogen 3.109 N/A