Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pdf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N GLN 185.A OE1 no hydrogen 2.595 N/A ASP 1.A N GLU 188.A O no hydrogen 2.920 N/A THR 2.A N GLN 66.A OE1 no hydrogen 2.740 N/A THR 2.A OG1 GLN 66.A OE1 no hydrogen 3.315 N/A ALA 4.A N THR 2.A OG1 no hydrogen 3.274 N/A CYS 6.A N ASN 65.A O no hydrogen 2.995 N/A THR 7.A N ASP 10.A OD1 no hydrogen 2.939 N/A TYR 8.A OH LEU 47.A O no hydrogen 2.535 N/A LEU 9.A N ASN 284.A OD1 no hydrogen 3.197 N/A ASP 10.A N THR 7.A OG1 no hydrogen 2.992 N/A LEU 11.A N THR 7.A O no hydrogen 3.267 N/A LEU 11.A N TYR 8.A O no hydrogen 3.044 N/A LEU 12.A N TYR 8.A O no hydrogen 3.181 N/A GLY 13.A N LEU 44.A O no hydrogen 3.043 N/A TRP 15.A N VAL 42.A O no hydrogen 2.806 N/A TRP 15.A NE1 LEU 11.A O no hydrogen 2.866 N/A VAL 16.A N LYS 116.A O no hydrogen 2.905 N/A PHE 17.A N VAL 40.A O no hydrogen 2.715 N/A GLN 18.A N THR 114.A O no hydrogen 2.881 N/A VAL 19.A N LYS 38.A O no hydrogen 2.745 N/A GLY 20.A N CYS 112.A O no hydrogen 2.794 N/A SER 24.A N TRP 110.A O no hydrogen 2.857 N/A SER 24.A OG SER 21.A O no hydrogen 2.632 N/A ARG 26.A NH1 TYR 230.A OH no hydrogen 2.977 N/A VAL 28.A N GLN 25.A O no hydrogen 3.027 N/A CYS 30.A SG GLY 100.A O no hydrogen 3.765 N/A SER 31.A N ASN 29.A OD1 no hydrogen 3.238 N/A SER 31.A OG ASN 29.A OD1 no hydrogen 2.484 N/A VAL 32.A N ASN 29.A O no hydrogen 3.267 N/A MET 33.A N CYS 30.A O no hydrogen 3.395 N/A GLU 37.A N VAL 19.A O no hydrogen 2.671 N/A LYS 38.A N VAL 19.A O no hydrogen 3.141 N/A VAL 40.A N PHE 17.A O no hydrogen 2.840 N/A VAL 42.A N TRP 15.A O no hydrogen 2.879 N/A TYR 43.A N TYR 51.A O no hydrogen 2.765 N/A TYR 43.A OH ASP 53.A OD2 no hydrogen 2.571 N/A LEU 44.A N GLY 13.A O no hydrogen 2.865 N/A GLN 45.A N THR 49.A O no hydrogen 2.796 N/A THR 49.A N GLN 45.A O no hydrogen 2.963 N/A ALA 50.A N GLY 58.A O no hydrogen 3.079 N/A TYR 51.A N TYR 43.A O no hydrogen 2.882 N/A ASP 52.A N ASN 56.A O no hydrogen 3.278 N/A GLY 55.A N ASP 52.A O no hydrogen 3.048 N/A GLY 55.A N ASP 52.A OD2 no hydrogen 2.929 N/A ASN 56.A N ASP 52.A OD2 no hydrogen 2.778 N/A ASN 56.A ND2 ASP 52.A OD1 no hydrogen 2.872 N/A ASN 56.A ND2 ASP 52.A OD2 no hydrogen 3.408 N/A GLY 58.A N ALA 50.A O no hydrogen 2.659 N/A HIS 59.A N VAL 71.A O no hydrogen 2.922 N/A PHE 60.A N ASP 48.A O no hydrogen 3.121 N/A THR 61.A N GLU 69.A O no hydrogen 3.031 N/A THR 61.A OG1 ILE 62.A O no hydrogen 2.723 N/A ILE 63.A N GLY 67.A O no hydrogen 2.709 N/A ASN 65.A ND2 ASN 5.A OD1 no hydrogen 3.006 N/A GLN 66.A N ILE 63.A O no hydrogen 2.849 N/A GLN 66.A NE2 THR 2.A O no hydrogen 3.211 N/A GLN 66.A NE2 ASN 65.A OD1 no hydrogen 3.048 N/A PHE 68.A N ALA 79.A O no hydrogen 3.163 N/A GLU 69.A N THR 61.A O no hydrogen 3.091 N/A ILE 70.A N TRP 77.A O no hydrogen 2.859 N/A VAL 71.A N HIS 59.A O no hydrogen 2.804 N/A LEU 72.A N TYR 75.A O no hydrogen 2.932 N/A TYR 75.A N LEU 72.A O no hydrogen 3.006 N/A LYS 76.A N HIS 103.A O no hydrogen 2.769 N/A LYS 76.A NZ GLN 201.A OE1 no hydrogen 2.871 N/A TRP 77.A N ILE 70.A O no hydrogen 2.806 N/A PHE 78.A N TRP 101.A O no hydrogen 2.993 N/A ALA 79.A N PHE 68.A O no hydrogen 3.424 N/A PHE 81.A N GLN 66.A O no hydrogen 2.893 N/A LYS 82.A N GLU 96.A O no hydrogen 2.852 N/A LYS 82.A NZ GLU 96.A OE1 no hydrogen 3.236 N/A LYS 84.A N THR 91.A O no hydrogen 2.739 N/A LYS 89.A N GLY 87.A O no hydrogen 2.751 N/A THR 91.A N LYS 84.A O no hydrogen 2.878 N/A TYR 93.A N LYS 82.A O no hydrogen 2.801 N/A CYS 94.A SG ASP 10.A OD1 no hydrogen 3.589 N/A GLU 96.A N TYR 93.A O no hydrogen 2.961 N/A THR 97.A N GLY 115.A O no hydrogen 3.117 N/A THR 97.A OG1 MET 98.A O no hydrogen 2.703 N/A MET 98.A N PHE 80.A O no hydrogen 2.822 N/A GLY 100.A N PHE 113.A O no hydrogen 2.668 N/A TRP 101.A N PHE 78.A O no hydrogen 2.856 N/A VAL 102.A N ALA 111.A O no hydrogen 2.927 N/A HIS 103.A N LYS 76.A O no hydrogen 3.097 N/A HIS 103.A ND1 ASP 104.A O no hydrogen 2.699 N/A HIS 103.A NE2 ASP 202.A OD1 no hydrogen 2.855 N/A ASP 104.A N ASN 109.A O no hydrogen 3.302 N/A VAL 105.A N ASP 74.A O no hydrogen 2.884 N/A GLY 107.A N ASP 104.A O no hydrogen 2.923 N/A ARG 108.A N ASP 104.A OD1 no hydrogen 2.949 N/A ASN 109.A N ASP 104.A OD2 no hydrogen 2.789 N/A TRP 110.A N SER 24.A O no hydrogen 2.795 N/A TRP 110.A NE1 GLY 107.A O no hydrogen 2.889 N/A ALA 111.A N VAL 102.A O no hydrogen 2.762 N/A CYS 112.A N GLY 20.A O no hydrogen 2.788 N/A PHE 113.A N GLY 100.A O no hydrogen 3.076 N/A THR 114.A N GLN 18.A O no hydrogen 3.051 N/A THR 114.A OG1 GLN 36.A OE1 no hydrogen 3.173 N/A GLY 115.A N THR 97.A OG1 no hydrogen 2.756 N/A LYS 116.A N VAL 16.A O no hydrogen 3.015 N/A LYS 117.A N ASN 95.A O no hydrogen 2.890 N/A LYS 117.A NZ ASP 10.A O no hydrogen 2.610 N/A LYS 117.A NZ LEU 12.A O no hydrogen 2.777 N/A VAL 118.A N THR 14.A O no hydrogen 2.582 N/A TRP 124.A N TYR 298.A O no hydrogen 2.935 N/A TRP 126.A N VAL 296.A O no hydrogen 3.060 N/A TRP 126.A NE1 LEU 253.A O no hydrogen 2.847 N/A ARG 127.A N ASP 125.A OD2 no hydrogen 2.939 N/A ARG 127.A NE ASP 125.A OD1 no hydrogen 3.432 N/A ARG 127.A NE ASP 125.A OD2 no hydrogen 3.143 N/A ARG 127.A NH2 ASP 125.A OD1 no hydrogen 3.146 N/A ASN 128.A N ASP 125.A O no hydrogen 2.959 N/A VAL 129.A N ILE 132.A O no hydrogen 2.864 N/A GLY 131.A N ASN 128.A OD1 no hydrogen 2.718 N/A ILE 132.A N VAL 129.A O no hydrogen 3.216 N/A ASN 133.A ND2 VAL 135.A O no hydrogen 2.937 N/A PHE 134.A N TRP 126.A O no hydrogen 2.852 N/A VAL 135.A N ASN 133.A OD1 no hydrogen 3.044 N/A SER 136.A OG GLU 157.A OE1 no hydrogen 2.584 N/A ARG 139.A NH1 GLU 208.A OE1 no hydrogen 3.191 N/A ARG 139.A NH2 GLU 208.A OE2 no hydrogen 3.055 N/A GLN 141.A N SER 314.A O no hydrogen 2.829 N/A GLN 141.A NE2 CYS 144.A O no hydrogen 3.115 N/A ALA 142.A N ASN 140.A OD1 no hydrogen 2.902 N/A GLY 145.A N CYS 187.A O no hydrogen 2.991 N/A SER 146.A N CYS 144.A O no hydrogen 2.861 N/A SER 146.A OG CYS 144.A O no hydrogen 3.490 N/A SER 146.A OG TYR 213.A OH no hydrogen 2.727 N/A TYR 148.A OH GLY 186.A O no hydrogen 2.638 N/A SER 149.A N SER 146.A O no hydrogen 2.796 N/A SER 149.A OG PRO 174.A O no hydrogen 2.991 N/A PHE 150.A N SER 146.A O no hydrogen 3.059 N/A ALA 151.A N CYS 147.A O no hydrogen 2.739 N/A SER 152.A N TYR 148.A O no hydrogen 3.029 N/A SER 152.A OG TYR 148.A O no hydrogen 2.704 N/A MET 153.A N SER 149.A O no hydrogen 2.801 N/A GLY 154.A N PHE 150.A O no hydrogen 2.874 N/A MET 155.A N ALA 151.A O no hydrogen 3.038 N/A LEU 156.A N SER 152.A O no hydrogen 3.181 N/A GLU 157.A N MET 153.A O no hydrogen 2.808 N/A ALA 158.A N GLY 154.A O no hydrogen 3.114 N/A ARG 159.A N MET 155.A O no hydrogen 2.972 N/A ARG 159.A NE PRO 258.A O no hydrogen 2.984 N/A ARG 159.A NH1 GLU 252.A OE1 no hydrogen 3.305 N/A ARG 159.A NH1 ALA 343.A O no hydrogen 3.038 N/A ARG 159.A NH2 GLU 252.A OE1 no hydrogen 2.862 N/A ARG 159.A NH2 GLY 257.A O no hydrogen 3.065 N/A ARG 159.A NH2 PRO 258.A O no hydrogen 3.498 N/A ILE 160.A N LEU 156.A O no hydrogen 2.901 N/A ARG 161.A N GLU 157.A O no hydrogen 3.254 N/A ILE 162.A N ALA 158.A O no hydrogen 2.914 N/A LEU 163.A N ARG 159.A O no hydrogen 2.765 N/A THR 164.A N ILE 160.A O no hydrogen 2.933 N/A THR 164.A OG1 ILE 160.A O no hydrogen 2.710 N/A THR 164.A OG1 GLN 168.A O no hydrogen 3.448 N/A ASN 165.A N ILE 162.A O no hydrogen 3.298 N/A ASN 166.A N ARG 161.A O no hydrogen 2.718 N/A ASN 166.A ND2 ASN 133.A O no hydrogen 2.987 N/A SER 167.A N THR 164.A O no hydrogen 3.024 N/A GLN 168.A N THR 164.A OG1 no hydrogen 3.011 N/A GLN 168.A NE2 LYS 348.A O no hydrogen 2.819 N/A LEU 172.A N GLU 157.A OE2 no hydrogen 2.798 N/A SER 173.A N VAL 206.A O no hydrogen 2.843 N/A SER 173.A OG PHE 211.A O no hydrogen 2.837 N/A GLN 175.A NE2 SER 179.A OG no hydrogen 3.075 N/A GLN 175.A NE2 THR 216.A O no hydrogen 2.790 N/A GLU 176.A N SER 173.A OG no hydrogen 2.990 N/A VAL 178.A N PRO 174.A O no hydrogen 3.099 N/A SER 179.A N GLN 175.A O no hydrogen 2.764 N/A SER 179.A OG GLN 175.A O no hydrogen 3.225 N/A SER 179.A OG SER 218.A O no hydrogen 2.833 N/A SER 179.A OG SER 218.A OG no hydrogen 2.967 N/A CYS 180.A N GLU 176.A O no hydrogen 2.822 N/A SER 181.A N VAL 177.A O no hydrogen 3.012 N/A GLN 182.A N GLN 182.A OE1 no hydrogen 2.966 N/A TYR 183.A N SER 181.A OG no hydrogen 3.206 N/A TYR 183.A OH ASP 202.A OD1 no hydrogen 2.716 N/A GLN 185.A N GLY 189.A O no hydrogen 2.817 N/A CYS 187.A N ASP 217.A OD2 no hydrogen 2.939 N/A CYS 187.A SG ASP 217.A OD2 no hydrogen 3.540 N/A GLU 188.A N GLN 185.A O no hydrogen 2.885 N/A GLY 189.A N GLY 186.A O no hydrogen 3.490 N/A TYR 193.A OH GLU 69.A OE2 no hydrogen 2.549 N/A LEU 194.A N PHE 191.A O no hydrogen 2.853 N/A ILE 195.A N PHE 191.A O no hydrogen 3.178 N/A ILE 195.A N PRO 192.A O no hydrogen 3.045 N/A GLY 197.A N PRO 192.A O no hydrogen 3.345 N/A LYS 198.A N TYR 193.A O no hydrogen 2.989 N/A LYS 198.A NZ GLU 69.A OE1 no hydrogen 2.721 N/A TYR 199.A N LEU 194.A O no hydrogen 2.761 N/A TYR 199.A OH GLU 176.A OE1 no hydrogen 2.554 N/A ALA 200.A N ILE 195.A O no hydrogen 3.008 N/A GLN 201.A N GLY 197.A O no hydrogen 2.963 N/A GLN 201.A NE2 SER 231.A O no hydrogen 3.031 N/A ASP 202.A N LYS 198.A O no hydrogen 2.825 N/A PHE 203.A N TYR 199.A O no hydrogen 2.793 N/A GLY 204.A N TYR 199.A O no hydrogen 3.083 N/A LEU 205.A N TYR 229.A O no hydrogen 2.782 N/A GLU 208.A N ILE 171.A O no hydrogen 2.750 N/A CYS 210.A N GLU 207.A O no hydrogen 2.874 N/A CYS 210.A SG LYS 223.A O no hydrogen 3.838 N/A PHE 211.A N GLU 208.A O no hydrogen 3.010 N/A TYR 213.A N GLU 208.A OE1 no hydrogen 2.723 N/A TYR 213.A OH GLN 141.A O no hydrogen 2.502 N/A TYR 213.A OH SER 146.A OG no hydrogen 2.727 N/A THR 214.A N GLN 175.A OE1 no hydrogen 2.900 N/A THR 214.A OG1 THR 216.A OG1 no hydrogen 2.875 N/A GLY 215.A N GLN 175.A OE1 no hydrogen 3.106 N/A THR 216.A OG1 THR 214.A OG1 no hydrogen 2.875 N/A SER 218.A OG SER 179.A OG no hydrogen 2.967 N/A LYS 223.A N CYS 210.A O no hydrogen 3.153 N/A CYS 226.A SG LYS 223.A O no hydrogen 3.434 N/A CYS 226.A SG GLU 224.A O no hydrogen 3.979 N/A ARG 228.A NE PHE 203.A O no hydrogen 2.840 N/A ARG 228.A NH1 GLU 176.A OE1 no hydrogen 3.031 N/A ARG 228.A NH1 GLY 204.A O no hydrogen 3.055 N/A TYR 229.A N LEU 205.A O no hydrogen 2.781 N/A TYR 229.A OH GLU 207.A OE2 no hydrogen 2.641 N/A SER 231.A OG ALA 196.A O no hydrogen 2.860 N/A SER 232.A N THR 344.A O no hydrogen 2.842 N/A SER 232.A OG THR 344.A O no hydrogen 3.399 N/A TYR 234.A OH GLU 69.A OE1 no hydrogen 2.792 N/A TYR 234.A OH GLU 69.A OE2 no hydrogen 3.355 N/A HIS 235.A N ALA 342.A O no hydrogen 2.938 N/A HIS 235.A ND1 GLU 233.A OE1 no hydrogen 2.941 N/A HIS 235.A ND1 GLU 233.A OE2 no hydrogen 2.994 N/A VAL 237.A N ALA 340.A O no hydrogen 2.954 N/A GLY 239.A N TYR 236.A O no hydrogen 2.808 N/A TYR 241.A N THR 61.A OG1 no hydrogen 2.804 N/A GLY 243.A N PHE 240.A O no hydrogen 3.043 N/A CYS 244.A SG GLU 337.A O no hydrogen 3.502 N/A LEU 248.A N ASN 245.A OD1 no hydrogen 2.817 N/A MET 249.A N ASN 245.A O no hydrogen 3.094 N/A LYS 250.A N GLU 246.A O no hydrogen 2.907 N/A LEU 251.A N ALA 247.A O no hydrogen 3.150 N/A GLU 252.A N LEU 248.A O no hydrogen 2.933 N/A LEU 253.A N MET 249.A O no hydrogen 2.853 N/A VAL 254.A N LYS 250.A O no hydrogen 3.045 N/A HIS 255.A N LEU 251.A O no hydrogen 2.960 N/A HIS 256.A N GLU 252.A O no hydrogen 2.901 N/A GLY 257.A N GLU 252.A O no hydrogen 3.366 N/A GLY 257.A N LEU 253.A O no hydrogen 2.991 N/A MET 259.A N LEU 295.A O no hydrogen 3.240 N/A ALA 260.A N VAL 341.A O no hydrogen 3.211 N/A VAL 261.A N VAL 293.A O no hydrogen 2.925 N/A PHE 263.A N HIS 291.A O no hydrogen 3.126 N/A GLU 264.A N CYS 334.A O no hydrogen 2.837 N/A VAL 265.A N ASN 290.A OD1 no hydrogen 2.675 N/A PHE 269.A N TYR 266.A O no hydrogen 3.100 N/A LEU 270.A N ASP 267.A O no hydrogen 2.955 N/A HIS 271.A N ASP 268.A O no hydrogen 3.073 N/A HIS 271.A NE2 ASP 267.A OD2 no hydrogen 2.908 N/A TYR 272.A N PHE 269.A O no hydrogen 3.063 N/A TYR 272.A OH GLY 275.A O no hydrogen 2.648 N/A GLY 275.A N GLU 321.A OE2 no hydrogen 2.862 N/A TYR 277.A N ARG 326.A O no hydrogen 2.824 N/A TYR 277.A OH ASP 268.A OD1 no hydrogen 2.481 N/A HIS 278.A ND1 GLU 333.A OE2 no hydrogen 2.690 N/A HIS 279.A N GLU 333.A OE1 no hydrogen 2.792 N/A HIS 279.A ND1 ASP 268.A OD2 no hydrogen 2.960 N/A THR 280.A N ASP 268.A OD2 no hydrogen 3.351 N/A PHE 286.A N ASN 284.A O no hydrogen 3.141 N/A GLU 287.A N TYR 241.A OH no hydrogen 3.241 N/A THR 289.A N TYR 64.A OH no hydrogen 3.054 N/A ASN 290.A N PHE 263.A O no hydrogen 3.017 N/A ASN 290.A ND2 VAL 265.A O no hydrogen 3.171 N/A HIS 291.A N PHE 263.A O no hydrogen 3.239 N/A HIS 291.A NE2 ASN 313.A OD1 no hydrogen 2.767 N/A VAL 293.A N VAL 261.A O no hydrogen 2.830 N/A LEU 294.A N LYS 312.A O no hydrogen 3.095 N/A LEU 295.A N MET 259.A O no hydrogen 2.847 N/A VAL 296.A N ILE 310.A O no hydrogen 2.947 N/A GLY 297.A N ILE 310.A O no hydrogen 3.288 N/A TYR 298.A N TRP 124.A O no hydrogen 2.760 N/A TYR 298.A OH PRO 121.A O no hydrogen 2.753 N/A GLY 299.A N TYR 308.A O no hydrogen 3.050 N/A THR 300.A OG1 ASP 307.A OD2 no hydrogen 2.639 N/A ASP 301.A N MET 306.A O no hydrogen 2.816 N/A SER 304.A N ASP 301.A OD2 no hydrogen 2.929 N/A SER 304.A OG ASP 301.A OD2 no hydrogen 3.123 N/A GLY 305.A N ASP 301.A O no hydrogen 2.546 N/A MET 306.A N SER 304.A OG no hydrogen 3.363 N/A TYR 308.A N GLY 299.A O no hydrogen 2.813 N/A TRP 309.A N ILE 327.A O no hydrogen 2.783 N/A TRP 309.A NE1 GLU 337.A OE1 no hydrogen 2.910 N/A ILE 310.A N GLY 297.A O no hydrogen 2.746 N/A VAL 311.A N PHE 325.A O no hydrogen 2.851 N/A LYS 312.A N LEU 294.A O no hydrogen 2.719 N/A LYS 312.A NZ SER 136.A O no hydrogen 2.663 N/A LYS 312.A NZ PRO 137.A O no hydrogen 3.119 N/A ASN 313.A N GLY 323.A O no hydrogen 3.102 N/A SER 314.A N ASN 313.A OD1 no hydrogen 2.732 N/A SER 314.A OG GLN 141.A OE1 no hydrogen 2.703 N/A GLY 316.A N ARG 139.A O no hydrogen 2.894 N/A GLU 321.A N TYR 324.A O no hydrogen 2.738 N/A GLY 323.A N TRP 319.A O no hydrogen 2.770 N/A TYR 324.A N GLU 321.A O no hydrogen 3.043 N/A PHE 325.A N VAL 311.A O no hydrogen 2.891 N/A ARG 326.A N TYR 272.A OH no hydrogen 3.217 N/A ARG 326.A NE GLU 321.A OE1 no hydrogen 3.208 N/A ARG 326.A NH1 GLU 321.A OE2 no hydrogen 3.197 N/A ILE 327.A N TRP 309.A O no hydrogen 3.174 N/A ARG 328.A N TYR 277.A O no hydrogen 3.158 N/A ARG 329.A N ASP 307.A O no hydrogen 2.942 N/A ARG 329.A NE TYR 308.A O no hydrogen 3.078 N/A ARG 329.A NH1 GLU 246.A OE1 no hydrogen 2.852 N/A ARG 329.A NH2 GLY 299.A O no hydrogen 3.029 N/A GLY 330.A N GLU 337.A OE1 no hydrogen 2.732 N/A ASP 332.A N GLU 337.A OE2 no hydrogen 2.938 N/A CYS 334.A SG GLU 333.A OE1 no hydrogen 3.442 N/A ALA 335.A N ASP 332.A O no hydrogen 3.039 N/A ILE 336.A N GLU 333.A O no hydrogen 2.940 N/A GLU 337.A N ASP 332.A OD1 no hydrogen 3.001 N/A SER 338.A N ALA 335.A O no hydrogen 3.186 N/A SER 338.A OG ALA 335.A O no hydrogen 2.736 N/A VAL 341.A N ALA 260.A O no hydrogen 2.791 N/A ALA 342.A N HIS 235.A O no hydrogen 2.943 N/A THR 344.A N GLU 233.A O no hydrogen 2.837 N/A ILE 346.A N TYR 230.A O no hydrogen 2.749 N/A LYS 348.A N GLN 168.A OE1 no hydrogen 2.977 N/A