Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pb4_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N LEU 1.A O no hydrogen 3.155 N/A SER 4.A OG LEU 1.A O no hydrogen 2.872 N/A LEU 5.A N GLU 307.A OE2 no hydrogen 2.861 N/A LEU 10.A N PRO 6.A O no hydrogen 2.986 N/A ARG 11.A N GLU 7.A O no hydrogen 2.911 N/A ARG 11.A NE GLU 7.A OE1 no hydrogen 2.794 N/A ARG 11.A NH2 GLU 7.A OE1 no hydrogen 3.204 N/A ARG 11.A NH2 LEU 231.A O no hydrogen 2.995 N/A ARG 12.A N ALA 8.A O no hydrogen 3.285 N/A ARG 12.A NE GLN 16.A OE1 no hydrogen 3.051 N/A ARG 12.A NH2 GLU 133.A OE2 no hydrogen 2.787 N/A ARG 12.A NH2 LEU 311.A O no hydrogen 3.193 N/A VAL 13.A N ARG 9.A O no hydrogen 2.983 N/A VAL 14.A N LEU 10.A O no hydrogen 2.936 N/A GLY 15.A N ARG 11.A O no hydrogen 2.906 N/A GLN 16.A N VAL 13.A O no hydrogen 2.978 N/A GLN 16.A NE2 ALA 129.A O no hydrogen 3.036 N/A GLN 16.A NE2 GLU 133.A OE1 no hydrogen 3.377 N/A GLN 16.A NE2 GLU 133.A OE2 no hydrogen 2.861 N/A LEU 17.A N VAL 14.A O no hydrogen 3.181 N/A ASP 18.A N GLU 125.A OE2 no hydrogen 2.833 N/A GLN 20.A NE2 SER 24.A OG no hydrogen 2.782 N/A ARG 21.A N ASP 18.A OD1 no hydrogen 3.090 N/A ARG 21.A NE GLU 125.A OE1 no hydrogen 2.769 N/A ARG 21.A NH2 GLN 16.A O no hydrogen 3.185 N/A ARG 21.A NH2 GLU 125.A OE1 no hydrogen 3.446 N/A ARG 21.A NH2 GLU 125.A OE2 no hydrogen 2.797 N/A LEU 22.A N ASP 18.A O no hydrogen 2.955 N/A TRP 23.A N PRO 19.A O no hydrogen 2.992 N/A TRP 23.A NE1 GLU 286.A OE2 no hydrogen 2.814 N/A SER 24.A N GLN 20.A O no hydrogen 2.843 N/A SER 24.A OG GLN 20.A O no hydrogen 3.455 N/A THR 25.A N ARG 21.A O no hydrogen 2.860 N/A TYR 26.A N ARG 21.A O no hydrogen 3.208 N/A LEU 27.A N LEU 22.A O no hydrogen 2.888 N/A ARG 28.A N TRP 23.A O no hydrogen 2.845 N/A ARG 28.A NE GLU 286.A OE1 no hydrogen 2.829 N/A ARG 28.A NH2 GLU 286.A OE1 no hydrogen 3.490 N/A ARG 28.A NH2 GLU 286.A OE2 no hydrogen 2.858 N/A LEU 30.A N LEU 27.A O no hydrogen 2.918 N/A LEU 31.A N ARG 28.A O no hydrogen 3.126 N/A VAL 32.A N LEU 30.A O no hydrogen 2.827 N/A ARG 34.A N SER 100.A OG no hydrogen 2.844 N/A ARG 34.A NE TYR 98.A O no hydrogen 2.799 N/A ARG 34.A NH1 VAL 32.A O no hydrogen 2.908 N/A ARG 34.A NH1 VAL 111.A O no hydrogen 2.731 N/A ARG 34.A NH2 VAL 111.A O no hydrogen 3.116 N/A ARG 34.A NH2 GLY 112.A O no hydrogen 3.266 N/A SER 38.A N THR 35.A O no hydrogen 2.976 N/A SER 38.A OG THR 35.A O no hydrogen 2.774 N/A ASN 41.A N SER 38.A OG no hydrogen 3.015 N/A ASN 41.A ND2 ARG 34.A O no hydrogen 3.119 N/A ASN 41.A ND2 ASP 152.A OD1 no hydrogen 2.956 N/A LEU 42.A N SER 38.A O no hydrogen 3.018 N/A GLN 43.A N PRO 39.A O no hydrogen 2.852 N/A VAL 44.A N GLY 40.A O no hydrogen 2.871 N/A ARG 45.A N ASN 41.A O no hydrogen 2.853 N/A ARG 45.A NE TYR 98.A OH no hydrogen 2.843 N/A ARG 45.A NH2 TYR 98.A OH no hydrogen 3.251 N/A ARG 45.A NH2 ASP 152.A OD2 no hydrogen 3.230 N/A LYS 46.A N LEU 42.A O no hydrogen 2.922 N/A LYS 46.A NZ GLU 49.A OE1 no hydrogen 3.341 N/A PHE 47.A N GLN 43.A O no hydrogen 2.937 N/A LEU 48.A N VAL 44.A O no hydrogen 2.853 N/A GLU 49.A N ARG 45.A O no hydrogen 2.944 N/A ALA 50.A N LYS 46.A O no hydrogen 2.887 N/A THR 51.A N PHE 47.A O no hydrogen 2.928 N/A THR 51.A OG1 PHE 47.A O no hydrogen 2.829 N/A LEU 52.A N LEU 48.A O no hydrogen 2.910 N/A ARG 53.A N GLU 49.A O no hydrogen 2.897 N/A ARG 53.A NH1 GLU 49.A OE1 no hydrogen 2.851 N/A ARG 53.A NH2 VAL 61.A O no hydrogen 3.009 N/A SER 54.A N ALA 50.A O no hydrogen 3.104 N/A SER 54.A N THR 51.A O no hydrogen 3.173 N/A SER 54.A OG THR 51.A O no hydrogen 2.712 N/A LEU 55.A N LEU 52.A O no hydrogen 3.271 N/A THR 56.A OG1 ASP 131.A OD2 no hydrogen 2.560 N/A ALA 57.A N ASP 131.A OD1 no hydrogen 2.918 N/A GLY 58.A N LEU 55.A O no hydrogen 3.147 N/A HIS 60.A N THR 83.A O no hydrogen 2.902 N/A GLU 62.A N VAL 81.A O no hydrogen 2.897 N/A ASP 64.A N ASN 79.A O no hydrogen 2.843 N/A PHE 66.A N PHE 77.A O no hydrogen 2.931 N/A THR 67.A OG1 ASP 76.A OD1 no hydrogen 2.716 N/A ALA 68.A N VAL 75.A O no hydrogen 2.902 N/A THR 70.A N GLY 73.A O no hydrogen 3.151 N/A THR 70.A OG1 GLY 73.A O no hydrogen 2.731 N/A LEU 72.A N THR 70.A OG1 no hydrogen 2.920 N/A GLY 73.A N THR 70.A O no hydrogen 2.926 N/A VAL 75.A N ALA 68.A O no hydrogen 2.964 N/A PHE 77.A N PHE 66.A O no hydrogen 2.830 N/A GLY 78.A N ASP 152.A OD2 no hydrogen 2.855 N/A ASN 79.A N ASP 64.A O no hydrogen 2.986 N/A ASN 79.A ND2 ASP 64.A OD2 no hydrogen 2.893 N/A ASN 79.A ND2 GLY 168.A O no hydrogen 2.942 N/A VAL 80.A N PHE 150.A O no hydrogen 2.900 N/A VAL 81.A N GLU 62.A O no hydrogen 2.893 N/A ALA 82.A N LEU 148.A O no hydrogen 2.914 N/A THR 83.A N HIS 60.A O no hydrogen 2.835 N/A THR 83.A OG1 GLN 147.A OE1 no hydrogen 3.053 N/A LEU 84.A N LEU 146.A O no hydrogen 2.895 N/A ARG 87.A N ASP 85.A OD2 no hydrogen 2.968 N/A ARG 87.A NE ASP 85.A OD1 no hydrogen 3.399 N/A ARG 87.A NE ASP 85.A OD2 no hydrogen 3.008 N/A ARG 87.A NH2 ASP 85.A OD1 no hydrogen 2.994 N/A ARG 87.A NH2 LYS 138.A O no hydrogen 2.891 N/A ALA 88.A N ASP 85.A O no hydrogen 3.057 N/A ARG 90.A N PRO 143.A O no hydrogen 3.362 N/A ARG 90.A NH1 GLN 189.A O no hydrogen 2.803 N/A HIS 91.A N ALA 190.A O no hydrogen 2.831 N/A HIS 91.A ND1 THR 93.A OG1 no hydrogen 2.956 N/A LEU 92.A N THR 145.A O no hydrogen 2.985 N/A THR 93.A N LEU 193.A O no hydrogen 2.880 N/A LEU 94.A N GLN 147.A O no hydrogen 2.869 N/A ALA 95.A N MET 195.A O no hydrogen 2.928 N/A CYS 96.A N LEU 149.A O no hydrogen 3.045 N/A CYS 96.A SG LEU 149.A O no hydrogen 3.929 N/A HIS 97.A ND1 ASP 99.A OD1 no hydrogen 2.778 N/A HIS 97.A NE2 ASP 115.A OD1 no hydrogen 2.802 N/A TYR 98.A N LEU 151.A O no hydrogen 2.844 N/A TYR 98.A OH GLY 78.A O no hydrogen 2.601 N/A SER 100.A N ARG 34.A O no hydrogen 3.036 N/A LYS 101.A NZ GLU 159.A OE1 no hydrogen 2.689 N/A SER 107.A N PRO 104.A O no hydrogen 3.081 N/A SER 107.A OG PRO 104.A O no hydrogen 2.594 N/A ALA 113.A N ASP 284.A O no hydrogen 2.979 N/A THR 114.A N ASP 284.A OD1 no hydrogen 2.850 N/A THR 114.A OG1 ASP 284.A OD1 no hydrogen 3.388 N/A THR 114.A OG1 ASP 284.A OD2 no hydrogen 2.844 N/A ASP 115.A N GLY 112.A O no hydrogen 3.044 N/A ALA 117.A N GLY 112.A O no hydrogen 3.160 N/A VAL 118.A N ALA 113.A O no hydrogen 2.864 N/A CYS 120.A N SER 116.A O no hydrogen 3.025 N/A CYS 120.A SG HIS 97.A O no hydrogen 3.531 N/A CYS 120.A SG SER 116.A O no hydrogen 3.409 N/A ALA 121.A N ALA 117.A O no hydrogen 2.923 N/A LEU 122.A N VAL 118.A O no hydrogen 2.869 N/A LEU 123.A N PRO 119.A O no hydrogen 3.133 N/A LEU 124.A N CYS 120.A O no hydrogen 3.189 N/A GLU 125.A N ALA 121.A O no hydrogen 2.925 N/A LEU 126.A N LEU 122.A O no hydrogen 2.913 N/A ALA 127.A N LEU 123.A O no hydrogen 3.051 N/A GLN 128.A N LEU 124.A O no hydrogen 2.990 N/A GLN 128.A NE2 TYR 26.A OH no hydrogen 3.308 N/A ALA 129.A N GLU 125.A O no hydrogen 2.781 N/A LEU 130.A N LEU 126.A O no hydrogen 3.038 N/A ASP 131.A N GLN 128.A O no hydrogen 3.099 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.746 N/A LEU 134.A N LEU 130.A O no hydrogen 2.839 N/A SER 135.A N ASP 131.A O no hydrogen 2.879 N/A ARG 136.A N LEU 132.A O no hydrogen 2.996 N/A ARG 136.A NH1 LEU 132.A O no hydrogen 2.871 N/A ALA 137.A N GLU 133.A O no hydrogen 2.959 N/A LYS 138.A N LEU 134.A O no hydrogen 3.001 N/A LYS 138.A NZ LEU 84.A O no hydrogen 2.748 N/A LYS 139.A N SER 135.A O no hydrogen 2.968 N/A GLN 140.A N ARG 136.A O no hydrogen 2.997 N/A ALA 141.A N LYS 138.A O no hydrogen 2.837 N/A ALA 142.A N ALA 137.A O no hydrogen 3.052 N/A THR 145.A N ARG 90.A O no hydrogen 2.876 N/A LEU 146.A N THR 145.A OG1 no hydrogen 2.825 N/A GLN 147.A N LEU 92.A O no hydrogen 2.863 N/A GLN 147.A NE2 THR 93.A OG1 no hydrogen 2.776 N/A LEU 148.A N ALA 82.A O no hydrogen 2.785 N/A LEU 149.A N LEU 94.A O no hydrogen 2.870 N/A PHE 150.A N VAL 80.A O no hydrogen 2.881 N/A LEU 151.A N CYS 96.A O no hydrogen 2.819 N/A ASP 152.A N ASN 79.A OD1 no hydrogen 2.919 N/A GLY 153.A N ASP 152.A OD1 no hydrogen 2.840 N/A GLU 154.A N ASP 99.A OD1 no hydrogen 3.096 N/A GLU 155.A N ASP 99.A OD2 no hydrogen 3.054 N/A LEU 157.A N ASP 164.A OD1 no hydrogen 2.832 N/A LYS 158.A N ASP 164.A OD2 no hydrogen 2.855 N/A TRP 160.A N ASP 164.A OD2 no hydrogen 2.865 N/A ASP 164.A N GLY 161.A O no hydrogen 3.017 N/A SER 165.A OG PRO 162.A O no hydrogen 3.278 N/A LEU 166.A N GLU 154.A O no hydrogen 2.976 N/A TYR 167.A N GLY 153.A O no hydrogen 2.871 N/A TYR 167.A OH ASP 164.A OD1 no hydrogen 2.683 N/A SER 169.A OG LEU 166.A O no hydrogen 3.551 N/A SER 169.A OG ASP 256.A OD1 no hydrogen 2.752 N/A ARG 170.A N LEU 166.A O no hydrogen 2.992 N/A ARG 170.A NE SER 165.A O no hydrogen 3.188 N/A ARG 170.A NE LEU 166.A O no hydrogen 3.157 N/A ARG 170.A NH2 SER 165.A O no hydrogen 2.817 N/A HIS 171.A N TYR 167.A O no hydrogen 3.127 N/A HIS 171.A ND1 ASP 64.A OD2 no hydrogen 2.789 N/A LEU 172.A N GLY 168.A O no hydrogen 2.831 N/A ALA 173.A N SER 169.A O no hydrogen 2.947 N/A GLN 174.A N ARG 170.A O no hydrogen 3.227 N/A GLN 174.A NE2 GLU 177.A OE2 no hydrogen 3.423 N/A LEU 175.A N HIS 171.A O no hydrogen 2.838 N/A MET 176.A N LEU 172.A O no hydrogen 2.805 N/A GLU 177.A N ALA 173.A O no hydrogen 3.087 N/A SER 178.A N LEU 175.A O no hydrogen 2.861 N/A SER 178.A OG LEU 175.A O no hydrogen 2.693 N/A ILE 179.A N MET 176.A O no hydrogen 3.199 N/A HIS 181.A N PRO 185.A O no hydrogen 3.019 N/A HIS 181.A NE2 ALA 88.A O no hydrogen 2.904 N/A ARG 187.A N ILE 179.A O no hydrogen 2.954 N/A ARG 187.A NH1 PRO 86.A O no hydrogen 3.493 N/A ARG 187.A NH2 HIS 91.A NE2 no hydrogen 3.019 N/A ILE 188.A N THR 186.A OG1 no hydrogen 3.153 N/A GLN 189.A N THR 186.A O no hydrogen 3.068 N/A GLN 189.A NE2 THR 186.A O no hydrogen 3.407 N/A GLN 189.A NE2 THR 186.A OG1 no hydrogen 2.675 N/A ALA 190.A N ARG 187.A O no hydrogen 3.227 N/A ILE 191.A N ILE 188.A O no hydrogen 3.217 N/A GLU 192.A N HIS 91.A O no hydrogen 2.825 N/A PHE 194.A N PRO 266.A O no hydrogen 2.861 N/A MET 195.A N THR 93.A O no hydrogen 2.813 N/A LEU 196.A N LEU 268.A O no hydrogen 2.982 N/A LEU 197.A N ALA 95.A O no hydrogen 2.892 N/A ASP 198.A N LEU 270.A O no hydrogen 2.953 N/A LEU 200.A N THR 114.A O no hydrogen 3.093 N/A THR 206.A N SER 272.A OG no hydrogen 3.365 N/A THR 206.A OG1 THR 273.A O no hydrogen 2.795 N/A PHE 207.A N TYR 243.A O no hydrogen 2.816 N/A HIS 210.A ND1 SER 252.A OG no hydrogen 2.766 N/A ARG 213.A NH1 GLY 264.A O no hydrogen 2.977 N/A THR 214.A N PHE 211.A O no hydrogen 2.960 N/A THR 214.A OG1 PHE 211.A O no hydrogen 3.317 N/A THR 214.A OG1 VAL 267.A O no hydrogen 2.736 N/A VAL 215.A N PRO 212.A O no hydrogen 3.243 N/A TRP 217.A N THR 214.A O no hydrogen 2.972 N/A HIS 219.A N VAL 215.A O no hydrogen 2.847 N/A ARG 220.A N ARG 216.A O no hydrogen 3.000 N/A ARG 220.A NH2 GLU 307.A OE1 no hydrogen 2.674 N/A LEU 221.A N TRP 217.A O no hydrogen 3.023 N/A ARG 222.A N PHE 218.A O no hydrogen 2.954 N/A SER 223.A N HIS 219.A O no hydrogen 2.869 N/A ILE 224.A N ARG 220.A O no hydrogen 2.880 N/A GLU 225.A N LEU 221.A O no hydrogen 2.930 N/A LYS 226.A N ARG 222.A O no hydrogen 3.037 N/A ARG 227.A N SER 223.A O no hydrogen 2.902 N/A ARG 227.A NH1 LEU 5.A O no hydrogen 2.733 N/A ARG 227.A NH2 LEU 5.A O no hydrogen 2.939 N/A LEU 228.A N ILE 224.A O no hydrogen 2.845 N/A HIS 229.A N GLU 225.A O no hydrogen 2.942 N/A ARG 230.A N LYS 226.A O no hydrogen 2.988 N/A LEU 231.A N ARG 227.A O no hydrogen 2.904 N/A ASN 232.A N HIS 229.A O no hydrogen 3.050 N/A LEU 233.A N LEU 228.A O no hydrogen 2.943 N/A GLN 235.A N ASN 296.A OD1 no hydrogen 2.960 N/A HIS 237.A NE2 GLU 225.A OE2 no hydrogen 2.702 N/A MET 242.A N GLU 225.A OE2 no hydrogen 2.821 N/A TYR 243.A N GLU 225.A OE2 no hydrogen 2.851 N/A PHE 244.A N GLU 225.A OE1 no hydrogen 2.959 N/A GLN 245.A N PHE 207.A O no hydrogen 2.900 N/A GLN 245.A NE2 MET 242.A O no hydrogen 2.904 N/A SER 252.A OG HIS 210.A ND1 no hydrogen 2.766 N/A ASP 256.A N ASP 255.A OD1 no hydrogen 2.796 N/A ILE 258.A N ASP 255.A O no hydrogen 2.987 N/A LEU 261.A N HIS 257.A O no hydrogen 2.779 N/A ARG 262.A N ILE 258.A O no hydrogen 2.936 N/A ARG 263.A N PHE 260.A O no hydrogen 2.958 N/A ARG 263.A NE GLU 177.A OE1 no hydrogen 2.870 N/A ARG 263.A NH1 PRO 259.A O no hydrogen 2.856 N/A GLY 264.A N LEU 261.A O no hydrogen 2.985 N/A VAL 265.A N PHE 260.A O no hydrogen 3.114 N/A LEU 268.A N PHE 194.A O no hydrogen 2.892 N/A HIS 269.A NE2 ASP 255.A OD2 no hydrogen 2.817 N/A LEU 270.A N LEU 196.A O no hydrogen 2.760 N/A SER 272.A OG PRO 274.A O no hydrogen 2.779 N/A THR 273.A N THR 206.A O no hydrogen 2.855 N/A TRP 279.A N PRO 276.A O no hydrogen 2.994 N/A THR 281.A N VAL 278.A O no hydrogen 3.000 N/A THR 281.A OG1 VAL 278.A O no hydrogen 2.812 N/A ALA 283.A N THR 281.A OG1 no hydrogen 3.218 N/A ASP 284.A N THR 281.A O no hydrogen 3.018 N/A THR 285.A OG1 ALA 283.A O no hydrogen 3.265 N/A ASN 288.A N THR 285.A O no hydrogen 3.186 N/A ASN 288.A ND2 ALA 283.A O no hydrogen 2.871 N/A LEU 289.A N GLU 286.A O no hydrogen 3.064 N/A HIS 290.A N GLY 201.A O no hydrogen 2.901 N/A HIS 290.A ND1 THR 293.A OG1 no hydrogen 2.686 N/A THR 293.A OG1 HIS 290.A ND1 no hydrogen 2.686 N/A VAL 294.A N HIS 290.A O no hydrogen 3.126 N/A HIS 295.A N PRO 291.A O no hydrogen 2.993 N/A ASN 296.A N PRO 292.A O no hydrogen 2.857 N/A ASN 296.A ND2 GLN 235.A O no hydrogen 2.808 N/A ASN 296.A ND2 TYR 243.A OH no hydrogen 2.915 N/A LEU 297.A N THR 293.A O no hydrogen 2.892 N/A CYS 298.A N VAL 294.A O no hydrogen 2.985 N/A ARG 299.A N HIS 295.A O no hydrogen 2.920 N/A ARG 299.A NH1 LEU 233.A O no hydrogen 2.757 N/A ILE 300.A N ASN 296.A O no hydrogen 2.953 N/A LEU 301.A N LEU 297.A O no hydrogen 2.909 N/A ALA 302.A N CYS 298.A O no hydrogen 2.873 N/A VAL 303.A N ARG 299.A O no hydrogen 3.134 N/A PHE 304.A N ILE 300.A O no hydrogen 2.969 N/A LEU 305.A N LEU 301.A O no hydrogen 2.867 N/A ALA 306.A N ALA 302.A O no hydrogen 2.975 N/A GLU 307.A N VAL 303.A O no hydrogen 2.891 N/A TYR 308.A N PHE 304.A O no hydrogen 2.807 N/A TYR 308.A OH GLU 192.A OE2 no hydrogen 2.626 N/A LEU 309.A N LEU 305.A O no hydrogen 2.973 N/A GLY 310.A N GLU 307.A O no hydrogen 3.393 N/A LEU 311.A N ALA 306.A O no hydrogen 2.924 N/A