Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4g3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 42.A OE1 no hydrogen 3.532 N/A SER 3.A N ASN 27.A O no hydrogen 2.818 N/A VAL 4.A N TYR 41.A O no hydrogen 2.747 N/A SER 5.A N GLY 29.A O no hydrogen 2.958 N/A GLY 7.A N LEU 31.A O no hydrogen 3.018 N/A SER 11.A N GLN 8.A O no hydrogen 2.990 N/A SER 11.A OG HIS 10.A NE2.A no hydrogen 3.358 N/A LEU 12.A N GLN 8.A O no hydrogen 3.276 N/A ALA 13.A N ALA 9.A O no hydrogen 2.930 N/A SER 14.A N HIS 10.A O no hydrogen 3.060 N/A SER 14.A OG HIS 10.A O no hydrogen 3.283 N/A LEU 15.A N SER 11.A O no hydrogen 3.155 N/A ALA 16.A N LEU 12.A O no hydrogen 2.850 N/A LYS 17.A N ALA 13.A O no hydrogen 3.264 N/A THR 18.A N LEU 15.A O no hydrogen 2.843 N/A THR 18.A OG1 LEU 15.A O no hydrogen 2.609 N/A TRP 19.A N ALA 16.A O no hydrogen 2.874 N/A TRP 19.A NE1 GLU 28.A OE2 no hydrogen 2.866 N/A ASP 26.A N THR 24.A OG1 no hydrogen 3.122 N/A ASN 27.A ND2 TYR 43.A O no hydrogen 3.094 N/A ASN 27.A ND2 ARG 110.A O no hydrogen 3.037 N/A GLU 28.A N ARG 110.A O no hydrogen 3.153 N/A VAL 30.A N ALA 108.A O no hydrogen 3.093 N/A LEU 31.A N SER 5.A O no hydrogen 2.834 N/A LEU 32.A N TYR 106.A O no hydrogen 2.737 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.605 N/A LYS 35.A N THR 33.A OG1 no hydrogen 3.103 N/A LEU 36.A N THR 33.A O no hydrogen 3.207 N/A LYS 37.A N ASP 69.A OD2 no hydrogen 3.103 N/A LYS 37.A NZ GLU 34.A O no hydrogen 2.771 N/A VAL 39.A N GLU 42.A O no hydrogen 2.905 N/A GLU 42.A N VAL 39.A O no hydrogen 3.008 N/A TYR 43.A N ASN 27.A OD1 no hydrogen 2.837 N/A TYR 43.A OH ASP 69.A OD2 no hydrogen 2.618 N/A ARG 44.A N HIS 48.A ND1 no hydrogen 2.961 N/A ARG 44.A NE GLU 42.A OE1 no hydrogen 2.843 N/A ARG 44.A NH1 GLU 25.A O no hydrogen 2.921 N/A ARG 44.A NH2 SER 1.A O no hydrogen 3.119 N/A ARG 44.A NH2 GLU 25.A O no hydrogen 3.208 N/A ARG 44.A NH2 GLU 42.A OE1 no hydrogen 3.319 N/A GLU 45.A N GLU 111.A OE2 no hydrogen 3.045 N/A GLU 46.A N TRP 49.A O no hydrogen 2.651 N/A VAL 47.A N ARG 44.A O no hydrogen 3.113 N/A HIS 48.A N ARG 44.A O no hydrogen 2.876 N/A MET 50.A N LYS 68.A O no hydrogen 3.021 N/A HIS 52.A N ARG 66.A O no hydrogen 3.179 N/A HIS 52.A NE2 GLN 75.A OE1 no hydrogen 2.648 N/A ARG 55.A NH2 GLU 63.A OE2 no hydrogen 2.794 N/A VAL 56.A N VAL 64.A O no hydrogen 3.026 N/A GLY 59.A N GLY 62.A O no hydrogen 2.939 N/A SER 60.A N ASP 184.A OD2 no hydrogen 2.950 N/A SER 60.A OG ASP 184.A OD1 no hydrogen 2.607 N/A SER 60.A OG ASP 184.A OD2 no hydrogen 3.450 N/A GLY 62.A N GLY 59.A O no hydrogen 3.527 N/A VAL 64.A N GLY 57.A O no hydrogen 2.905 N/A HIS 65.A N VAL 78.A O no hydrogen 2.769 N/A ARG 66.A NH1 GLU 123.A OE1 no hydrogen 2.707 N/A ARG 66.A NH2 GLU 123.A OE1 no hydrogen 2.882 N/A MET 67.A N CYS 76.A O no hydrogen 2.924 N/A LYS 68.A N MET 50.A O no hydrogen 2.881 N/A ASP 69.A N PHE 74.A O no hydrogen 2.953 N/A LYS 70.A N HIS 48.A O no hydrogen 2.940 N/A LYS 70.A NZ GLU 46.A O no hydrogen 2.809 N/A GLN 71.A N ASP 69.A OD1 no hydrogen 2.957 N/A THR 72.A N ASP 69.A OD1 no hydrogen 2.937 N/A THR 72.A OG1 LYS 35.A O no hydrogen 2.613 N/A GLY 73.A N ASP 69.A O no hydrogen 2.779 N/A PHE 74.A N THR 72.A OG1 no hydrogen 3.164 N/A CYS 76.A N MET 67.A O no hydrogen 2.996 N/A CYS 76.A SG ALA 77.A O no hydrogen 3.730 N/A ALA 77.A N MET 119.A O no hydrogen 2.835 N/A VAL 78.A N HIS 65.A O no hydrogen 2.825 N/A LYS 79.A N ILE 117.A O no hydrogen 2.880 N/A LYS 79.A NZ SER 60.A O no hydrogen 2.793 N/A LYS 79.A NZ GLU 90.A OE1 no hydrogen 2.920 N/A LYS 79.A NZ GLU 90.A OE2 no hydrogen 3.241 N/A LYS 79.A NZ ASP 184.A OD1 no hydrogen 3.427 N/A LYS 79.A NZ ASP 184.A OD2 no hydrogen 3.209 N/A LYS 80.A N GLU 63.A O no hydrogen 3.185 N/A LYS 80.A NZ GLU 45.A OE1 no hydrogen 2.919 N/A LYS 80.A NZ ASN 116.A OD1 no hydrogen 2.551 N/A VAL 81.A N VAL 115.A O no hydrogen 2.833 N/A ARG 82.A NE GLU 84.A OE2 no hydrogen 2.830 N/A ARG 82.A NH1 GLU 23.A OE2 no hydrogen 3.556 N/A ARG 82.A NH2 GLU 23.A OE2 no hydrogen 2.780 N/A ARG 82.A NH2 GLU 84.A OE1 no hydrogen 2.990 N/A ARG 82.A NH2 GLU 84.A OE2 no hydrogen 3.378 N/A LEU 83.A N PRO 113.A O no hydrogen 2.796 N/A GLU 84.A N GLU 84.A OE2 no hydrogen 2.793 N/A VAL 85.A N ARG 82.A O no hydrogen 3.032 N/A PHE 86.A N ARG 82.A O no hydrogen 3.088 N/A PHE 86.A N LEU 83.A O no hydrogen 3.388 N/A ARG 87.A NH1 GLY 186.A O no hydrogen 2.752 N/A ARG 87.A NH1 ALA 188.A O no hydrogen 2.902 N/A ARG 87.A NH2 ALA 188.A O no hydrogen 3.078 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.735 N/A GLU 90.A N ARG 87.A O no hydrogen 3.063 N/A LEU 91.A N VAL 88.A O no hydrogen 2.812 N/A VAL 92.A N GLU 89.A O no hydrogen 3.184 N/A ALA 93.A N GLU 89.A O no hydrogen 2.891 N/A ALA 95.A N VAL 92.A O no hydrogen 3.041 N/A LEU 97.A N CYS 94.A O no hydrogen 3.006 N/A SER 98.A N TYR 155.A OH no hydrogen 3.069 N/A ARG 101.A N SER 99.A OG no hydrogen 2.954 N/A ARG 101.A NE.A ALA 180.A O no hydrogen 3.069 N/A ARG 101.A NE.B GLU 151.A OE1 no hydrogen 2.633 N/A ARG 101.A NH1.A GLU 151.A OE1 no hydrogen 3.161 N/A ARG 101.A NH2.B GLU 151.A OE1 no hydrogen 2.775 N/A ILE 102.A N SER 99.A O no hydrogen 2.963 N/A VAL 103.A N LEU 182.A O no hydrogen 2.903 N/A TYR 106.A N PHE 118.A O no hydrogen 2.759 N/A ALA 108.A N VAL 30.A O no hydrogen 3.106 N/A VAL 109.A N ASN 116.A O no hydrogen 2.849 N/A ARG 110.A N GLU 28.A O no hydrogen 2.765 N/A ARG 110.A NE GLY 112.A O no hydrogen 2.572 N/A ARG 110.A NH1 GLU 28.A OE2 no hydrogen 3.254 N/A ARG 110.A NH2 GLY 112.A O no hydrogen 3.317 N/A GLU 111.A N TRP 114.A O no hydrogen 2.840 N/A GLY 112.A N ASP 26.A O no hydrogen 2.746 N/A TRP 114.A N GLU 111.A O no hydrogen 3.251 N/A VAL 115.A N VAL 81.A O no hydrogen 2.748 N/A ASN 116.A N VAL 109.A O no hydrogen 2.896 N/A ASN 116.A ND2 VAL 109.A O no hydrogen 3.354 N/A ILE 117.A N LYS 79.A O no hydrogen 2.867 N/A PHE 118.A N GLY 107.A O no hydrogen 2.829 N/A MET 119.A N ALA 77.A O no hydrogen 2.931 N/A GLU 120.A N PRO 104.A O no hydrogen 3.161 N/A GLY 125.A N LEU 122.A O no hydrogen 3.281 N/A SER 126.A N GLN 129.A OE1 no hydrogen 2.849 N/A LEU 127.A N VAL 171.A O no hydrogen 2.806 N/A GLY 128.A N ALA 168.A O no hydrogen 2.993 N/A GLN 129.A N SER 126.A OG no hydrogen 3.008 N/A GLN 129.A NE2 VAL 56.A O no hydrogen 2.854 N/A LEU 130.A N SER 126.A O no hydrogen 3.062 N/A ILE 131.A N LEU 127.A O no hydrogen 2.943 N/A LYS 132.A N GLY 128.A O no hydrogen 3.138 N/A GLN 133.A N GLN 129.A O no hydrogen 2.997 N/A MET 134.A N LEU 130.A O no hydrogen 2.894 N/A CYS 136.A SG LEU 228.A O no hydrogen 3.445 N/A CYS 136.A SG LYS 308.A O no hydrogen 3.556 N/A CYS 136.A SG GLU 309.A O no hydrogen 3.628 N/A LEU 137.A N MET 227.A O no hydrogen 2.864 N/A ARG 141.A NE SER 301.A O no hydrogen 3.406 N/A ARG 141.A NH1 TYR 145.A OH no hydrogen 3.030 N/A ARG 141.A NH2 SER 301.A O no hydrogen 2.749 N/A ALA 142.A N PRO 138.A O no hydrogen 2.931 N/A LEU 143.A N GLU 139.A O no hydrogen 2.906 N/A TYR 144.A N ASP 140.A O no hydrogen 2.951 N/A TYR 144.A OH SER 178.A O no hydrogen 2.581 N/A TYR 145.A N ARG 141.A O no hydrogen 2.944 N/A TYR 145.A OH GLY 177.A O no hydrogen 2.662 N/A LEU 146.A N ALA 142.A O no hydrogen 2.901 N/A GLY 147.A N LEU 143.A O no hydrogen 2.864 N/A GLN 148.A N TYR 144.A O no hydrogen 3.203 N/A GLN 148.A NE2 SER 178.A O no hydrogen 3.162 N/A ALA 149.A N TYR 145.A O no hydrogen 2.963 N/A LEU 150.A N LEU 146.A O no hydrogen 2.853 N/A GLU 151.A N GLY 147.A O no hydrogen 2.996 N/A GLY 152.A N GLN 148.A O no hydrogen 3.184 N/A LEU 153.A N ALA 149.A O no hydrogen 2.937 N/A GLU 154.A N LEU 150.A O no hydrogen 2.816 N/A TYR 155.A N GLU 151.A O no hydrogen 3.217 N/A LEU 156.A N GLY 152.A O no hydrogen 3.068 N/A HIS 157.A N LEU 153.A O no hydrogen 2.726 N/A HIS 157.A NE2 ASP 216.A OD2 no hydrogen 2.783 N/A THR 158.A N GLU 154.A O no hydrogen 3.110 N/A ARG 159.A N LEU 156.A O no hydrogen 2.967 N/A ARG 159.A NH1 TYR 155.A O no hydrogen 2.910 N/A ARG 160.A N HIS 157.A O no hydrogen 2.939 N/A ILE 161.A N LEU 156.A O no hydrogen 3.021 N/A LEU 162.A N LEU 189.A O no hydrogen 2.929 N/A HIS 163.A N ASP 216.A OD2 no hydrogen 2.826 N/A HIS 163.A NE2 CYS 183.A O no hydrogen 2.934 N/A GLY 164.A N ASP 216.A OD1 no hydrogen 2.892 N/A ASP 165.A N HIS 163.A ND1 no hydrogen 3.055 N/A LYS 167.A NZ THR 197.A OG1 no hydrogen 2.795 N/A ASN 170.A N LYS 167.A O no hydrogen 2.849 N/A ASN 170.A ND2 ASP 165.A O no hydrogen 2.930 N/A VAL 171.A N ALA 168.A O no hydrogen 3.138 N/A LEU 172.A N ALA 181.A O no hydrogen 2.828 N/A LEU 173.A N GLY 125.A O no hydrogen 2.857 N/A SER 174.A N ARG 179.A O no hydrogen 2.890 N/A SER 174.A OG ASP 176.A OD1 no hydrogen 2.937 N/A GLY 177.A N SER 174.A O no hydrogen 2.986 N/A SER 178.A N ASP 176.A OD1 no hydrogen 2.980 N/A SER 178.A OG ASP 176.A OD1 no hydrogen 2.784 N/A SER 178.A OG ASP 176.A OD2 no hydrogen 3.409 N/A ARG 179.A N SER 174.A OG no hydrogen 3.055 N/A ALA 180.A N GLN 148.A OE1 no hydrogen 2.653 N/A ALA 181.A N LEU 172.A O no hydrogen 2.917 N/A LEU 182.A N ARG 101.A O no hydrogen 2.765 N/A CYS 183.A N ASN 170.A O no hydrogen 2.963 N/A CYS 183.A SG ASN 170.A O no hydrogen 3.616 N/A GLY 186.A N ASP 184.A OD1 no hydrogen 3.074 N/A HIS 187.A ND1 ILE 194.A O no hydrogen 2.754 N/A ALA 188.A N PHE 185.A O no hydrogen 2.992 N/A LEU 189.A N LEU 162.A O no hydrogen 3.029 N/A LEU 191.A N ARG 160.A O no hydrogen 2.762 N/A TYR 193.A OH GLY 164.A O no hydrogen 2.477 N/A THR 197.A N ASP 165.A OD1 no hydrogen 2.848 N/A THR 197.A OG1 ASP 165.A OD1 no hydrogen 3.290 N/A THR 197.A OG1 ASP 165.A OD2 no hydrogen 2.870 N/A THR 199.A OG1 HIS 200.A ND1 no hydrogen 2.889 N/A THR 199.A OG1 HIS 232.A ND1 no hydrogen 2.767 N/A HIS 200.A N THR 197.A O no hydrogen 2.902 N/A HIS 200.A ND1 THR 199.A OG1 no hydrogen 2.889 N/A MET 201.A N GLU 198.A O no hydrogen 3.134 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.780 N/A VAL 206.A N ALA 202.A O no hydrogen 3.273 N/A MET 207.A N PRO 203.A O no hydrogen 2.855 N/A GLY 208.A N VAL 205.A O no hydrogen 3.091 N/A LYS 209.A N GLU 204.A O no hydrogen 2.949 N/A CYS 211.A SG LYS 209.A O no hydrogen 3.494 N/A LYS 214.A N ASP 212.A OD1 no hydrogen 2.938 N/A LYS 214.A NZ PRO 276.A O no hydrogen 2.938 N/A LYS 214.A NZ ARG 279.A O no hydrogen 2.778 N/A VAL 215.A N ASP 212.A O no hydrogen 3.004 N/A ASP 216.A N ALA 213.A O no hydrogen 2.991 N/A ILE 217.A N LYS 214.A O no hydrogen 2.997 N/A TRP 218.A N LYS 214.A O no hydrogen 3.202 N/A SER 219.A N VAL 215.A O no hydrogen 3.118 N/A SER 219.A OG.A HIS 200.A O no hydrogen 3.117 N/A SER 219.A OG.A VAL 215.A O no hydrogen 3.277 N/A SER 219.A OG.B VAL 166.A O no hydrogen 2.506 N/A SER 220.A N ASP 216.A O no hydrogen 2.854 N/A SER 220.A OG ILE 217.A O no hydrogen 2.769 N/A CYS 221.A N ILE 217.A O no hydrogen 3.075 N/A CYS 221.A SG ILE 217.A O no hydrogen 3.826 N/A CYS 222.A N TRP 218.A O no hydrogen 2.980 N/A CYS 222.A SG THR 199.A O no hydrogen 3.804 N/A CYS 222.A SG TRP 218.A O no hydrogen 3.534 N/A MET 223.A N SER 219.A O no hydrogen 2.912 N/A MET 224.A N SER 220.A O no hydrogen 2.952 N/A LEU 225.A N CYS 221.A O no hydrogen 2.976 N/A HIS 226.A N CYS 222.A O no hydrogen 2.887 N/A MET 227.A N MET 223.A O no hydrogen 2.892 N/A LEU 228.A N MET 224.A O no hydrogen 3.002 N/A ASN 229.A N LEU 225.A O no hydrogen 2.860 N/A ASN 229.A ND2 GLU 255.A O no hydrogen 2.810 N/A GLY 230.A N HIS 226.A O no hydrogen 2.801 N/A CYS 231.A SG HIS 232.A O no hydrogen 3.931 N/A HIS 232.A ND1 THR 199.A OG1 no hydrogen 2.767 N/A TRP 234.A N GLU 255.A OE2 no hydrogen 2.716 N/A THR 235.A OG1 HIS 232.A O no hydrogen 2.965 N/A GLN 236.A NE2 ARG 311.A O no hydrogen 2.524 N/A TYR 237.A N TRP 234.A O no hydrogen 2.914 N/A PHE 238.A N TRP 234.A O no hydrogen 2.912 N/A LEU 242.A N GLU 198.A OE2 no hydrogen 3.064 N/A CYS 243.A SG GLU 198.A OE2 no hydrogen 3.635 N/A ILE 246.A N LEU 242.A O no hydrogen 2.855 N/A ALA 247.A N CYS 243.A O no hydrogen 3.131 N/A SER 248.A N LEU 244.A O no hydrogen 2.972 N/A SER 248.A N LYS 245.A O no hydrogen 3.244 N/A SER 248.A OG LEU 244.A O no hydrogen 2.620 N/A GLU 249.A N LYS 245.A O no hydrogen 2.735 N/A ILE 253.A N PRO 251.A O no hydrogen 2.702 N/A GLU 255.A N PRO 252.A O no hydrogen 3.054 N/A ILE 256.A N ILE 253.A O no hydrogen 3.033 N/A CYS 260.A N PRO 257.A O no hydrogen 3.036 N/A ALA 261.A N GLU 139.A OE1 no hydrogen 2.907 N/A THR 264.A OG1 GLU 139.A OE1 no hydrogen 2.640 N/A ALA 265.A N ALA 261.A O no hydrogen 3.017 N/A GLN 266.A N PRO 262.A O no hydrogen 2.938 N/A ALA 267.A N LEU 263.A O no hydrogen 2.887 N/A ILE 268.A N THR 264.A O no hydrogen 3.106 N/A GLN 269.A N ALA 265.A O no hydrogen 2.971 N/A GLU 270.A N GLN 266.A O no hydrogen 2.976 N/A GLY 271.A N ALA 267.A O no hydrogen 3.012 N/A LEU 272.A N GLN 269.A O no hydrogen 3.175 N/A LYS 274.A NZ ALA 247.A O no hydrogen 2.735 N/A LYS 274.A NZ GLU 249.A O no hydrogen 2.874 N/A HIS 278.A N GLU 275.A O no hydrogen 2.813 N/A ARG 279.A N PRO 276.A O no hydrogen 3.121 N/A ARG 279.A NE ARG 273.A O no hydrogen 2.835 N/A ARG 279.A NH1 GLU 204.A OE1 no hydrogen 3.553 N/A ARG 279.A NH1 GLU 204.A OE2 no hydrogen 2.779 N/A ARG 279.A NH1 LYS 214.A O no hydrogen 2.917 N/A ARG 279.A NH2 GLU 204.A OE1 no hydrogen 2.852 N/A ARG 279.A NH2 ARG 273.A O no hydrogen 3.034 N/A ARG 279.A NH2 LYS 274.A O no hydrogen 3.009 N/A ALA 280.A N GLU 270.A O no hydrogen 3.065 N/A SER 281.A N GLU 284.A OE1 no hydrogen 3.030 N/A GLU 284.A N SER 281.A OG no hydrogen 3.065 N/A LEU 285.A N SER 281.A O no hydrogen 2.865 N/A ARG 286.A N ALA 282.A O no hydrogen 2.859 N/A ARG 286.A NE GLU 151.A OE2 no hydrogen 2.982 N/A ARG 286.A NH1 GLU 151.A OE2 no hydrogen 2.908 N/A ARG 286.A NH2 ARG 286.A O no hydrogen 2.963 N/A ARG 287.A N MET 283.A O no hydrogen 3.375 N/A LYS 288.A N GLU 284.A O no hydrogen 3.089 N/A VAL 289.A N LEU 285.A O no hydrogen 2.822 N/A GLY 290.A N ARG 286.A O no hydrogen 2.949 N/A LYS 291.A N ARG 287.A O no hydrogen 3.100 N/A ALA 292.A N LYS 288.A O no hydrogen 2.874 N/A LEU 293.A N VAL 289.A O no hydrogen 2.903 N/A GLN 294.A N GLY 290.A O no hydrogen 3.076 N/A GLU 295.A N LYS 291.A O no hydrogen 2.935 N/A VAL 296.A N ALA 292.A O no hydrogen 3.247 N/A VAL 296.A N LEU 293.A O no hydrogen 3.276 N/A GLY 297.A N GLN 294.A O no hydrogen 3.019 N/A GLY 298.A N LEU 293.A O no hydrogen 2.870 N/A LYS 300.A N ASP 140.A OD2 no hydrogen 2.725 N/A LYS 300.A NZ GLY 297.A O no hydrogen 2.800 N/A SER 301.A N ASP 140.A OD2 no hydrogen 2.872 N/A SER 301.A OG ASP 140.A OD1 no hydrogen 2.664 N/A SER 301.A OG ASP 140.A OD2 no hydrogen 3.138 N/A GLU 306.A N LYS 304.A O no hydrogen 3.209 N/A LYS 308.A N MET 134.A O no hydrogen 2.853 N/A ARG 311.A N ASN 229.A O no hydrogen 2.940 N/A ARG 311.A NH1 GLN 236.A OE1 no hydrogen 2.797 N/A