Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pdi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 5.A OE1 no hydrogen 2.989 N/A LEU 3.A N GLY 168.A O no hydrogen 3.133 N/A VAL 6.A N GLU 2.A O no hydrogen 3.068 N/A GLU 7.A N LEU 3.A O no hydrogen 2.828 N/A THR 8.A N PRO 4.A O no hydrogen 2.964 N/A THR 8.A OG1 PRO 4.A O no hydrogen 2.826 N/A VAL 9.A N GLU 5.A O no hydrogen 2.971 N/A ARG 10.A N VAL 6.A O no hydrogen 2.781 N/A ARG 10.A NE GLU 7.A OE1 no hydrogen 3.274 N/A ARG 10.A NE GLU 7.A OE2 no hydrogen 3.156 N/A ARG 10.A NH1 GLU 14.A OE2 no hydrogen 2.778 N/A ARG 10.A NH1 ILE 52.A O no hydrogen 2.848 N/A ARG 10.A NH2 GLU 7.A OE2 no hydrogen 3.215 N/A ARG 11.A N GLU 7.A O no hydrogen 2.972 N/A ARG 11.A NE GLU 7.A OE2 no hydrogen 2.822 N/A GLU 12.A N THR 8.A O no hydrogen 3.140 N/A LEU 13.A N VAL 9.A O no hydrogen 2.942 N/A GLU 14.A N ARG 10.A O no hydrogen 2.897 N/A LYS 15.A N ARG 11.A O no hydrogen 3.264 N/A ARG 16.A N LEU 13.A O no hydrogen 2.904 N/A ILE 17.A N LEU 13.A O no hydrogen 2.846 N/A GLY 19.A N ILE 49.A O no hydrogen 2.820 N/A GLN 20.A N ILE 17.A O no hydrogen 2.967 N/A GLN 20.A NE2 ASP 100.A OD1 no hydrogen 3.121 N/A ILE 22.A N LYS 47.A O no hydrogen 2.783 N/A ILE 23.A N LYS 97.A O no hydrogen 2.674 N/A SER 24.A N LYS 97.A O no hydrogen 3.254 N/A GLU 26.A N THR 95.A O no hydrogen 3.024 N/A THR 28.A N HIS 93.A O no hydrogen 2.803 N/A THR 28.A OG1 ASP 92.A O no hydrogen 3.026 N/A THR 28.A OG1 HIS 93.A O no hydrogen 3.479 N/A TYR 29.A N HIS 93.A O no hydrogen 3.277 N/A MET 32.A N TYR 29.A O no hydrogen 3.226 N/A VAL 33.A N PRO 30.A O no hydrogen 2.943 N/A LEU 34.A N TRP 114.A O no hydrogen 2.788 N/A GLY 36.A N VAL 33.A O no hydrogen 2.975 N/A GLN 39.A N GLN 39.A OE1.B no hydrogen 2.766 N/A LEU 40.A N GLY 36.A O no hydrogen 3.003 N/A LYS 41.A N PHE 37.A O no hydrogen 2.814 N/A LYS 41.A NZ ILE 25.A O no hydrogen 2.967 N/A LYS 42.A N GLU 38.A O no hydrogen 2.973 N/A GLU 43.A N GLN 39.A O no hydrogen 3.019 N/A LEU 44.A N LEU 40.A O no hydrogen 2.962 N/A THR 45.A N LYS 41.A O no hydrogen 3.175 N/A THR 45.A OG1 LYS 41.A O no hydrogen 2.717 N/A GLY 46.A N ILE 22.A O no hydrogen 2.731 N/A LYS 47.A N LEU 44.A O no hydrogen 2.925 N/A LYS 47.A NZ GLU 43.A O no hydrogen 2.659 N/A ILE 49.A N GLN 20.A O no hydrogen 2.965 N/A GLN 50.A N GLU 62.A O no hydrogen 2.767 N/A GLN 50.A NE2 ASP 65.A OD1 no hydrogen 2.658 N/A GLY 51.A N GLU 62.A O no hydrogen 3.409 N/A SER 53.A N ILE 60.A O no hydrogen 2.725 N/A SER 53.A OG GLU 62.A OE2 no hydrogen 2.515 N/A ARG 54.A NE GLU 7.A OE1 no hydrogen 2.713 N/A ARG 54.A NH1 GLY 56.A O no hydrogen 3.012 N/A ARG 54.A NH1 GLU 134.A OE1 no hydrogen 2.848 N/A ARG 54.A NH2 GLU 7.A OE1 no hydrogen 3.429 N/A ARG 54.A NH2 GLU 134.A OE1 no hydrogen 3.514 N/A ARG 55.A N TYR 58.A O no hydrogen 2.928 N/A ARG 55.A NH1 GLY 132.A O no hydrogen 2.926 N/A ARG 55.A NH1 GLU 134.A OE2 no hydrogen 2.838 N/A ARG 55.A NH2 GLY 132.A O no hydrogen 2.922 N/A GLY 56.A N GLU 134.A OE2 no hydrogen 2.734 N/A LYS 57.A NZ LEU 169.A O no hydrogen 2.789 N/A TYR 58.A N ARG 55.A O no hydrogen 2.811 N/A LEU 59.A N SER 71.A O no hydrogen 2.837 N/A ILE 60.A N SER 53.A O no hydrogen 2.805 N/A PHE 61.A N LEU 69.A O no hydrogen 2.831 N/A GLU 62.A N GLY 51.A O no hydrogen 2.758 N/A ILE 63.A N PHE 67.A O no hydrogen 3.070 N/A GLY 64.A N THR 48.A O no hydrogen 3.138 N/A ARG 68.A N ILE 117.A O no hydrogen 2.758 N/A ARG 68.A NH1 GLY 64.A O no hydrogen 3.293 N/A ARG 68.A NH1 PHE 67.A O no hydrogen 2.958 N/A LEU 69.A N PHE 61.A O no hydrogen 2.863 N/A ILE 70.A N GLU 115.A O no hydrogen 2.815 N/A SER 71.A N LEU 59.A O no hydrogen 2.779 N/A SER 71.A OG TYR 79.A OH no hydrogen 2.675 N/A HIS 72.A N THR 113.A O no hydrogen 2.932 N/A ARG 74.A N HIS 72.A ND1 no hydrogen 2.899 N/A GLY 77.A N LEU 73.A O no hydrogen 2.875 N/A LYS 78.A N ALA 106.A O no hydrogen 2.740 N/A TYR 79.A OH SER 71.A OG no hydrogen 2.675 N/A ARG 80.A N ILE 104.A O no hydrogen 3.069 N/A ARG 80.A NH1 ASP 92.A OD1 no hydrogen 2.805 N/A ARG 80.A NH2 ASP 92.A OD1 no hydrogen 3.526 N/A ARG 80.A NH2 ASP 92.A OD2 no hydrogen 2.798 N/A ALA 82.A N GLN 102.A O no hydrogen 2.869 N/A THR 83.A OG1 ASP 85.A OD1 no hydrogen 2.558 N/A ALA 86.A N THR 83.A O no hydrogen 3.212 N/A GLU 89.A N ASP 92.A OD2 no hydrogen 2.800 N/A ASP 92.A N GLU 89.A O no hydrogen 3.082 N/A HIS 93.A N TYR 105.A O no hydrogen 2.819 N/A HIS 93.A NE2 ASP 107.A O no hydrogen 2.733 N/A LEU 94.A N TYR 105.A O no hydrogen 3.367 N/A THR 95.A N GLU 26.A O no hydrogen 2.954 N/A THR 95.A OG1 GLN 102.A OE1 no hydrogen 2.679 N/A THR 95.A OG1 LEU 103.A O no hydrogen 3.350 N/A MET 96.A N LEU 103.A O no hydrogen 2.887 N/A LYS 97.A N SER 24.A O no hydrogen 2.762 N/A LYS 97.A NZ GLU 26.A OE2 no hydrogen 3.060 N/A PHE 98.A N GLY 101.A O no hydrogen 2.795 N/A GLN 102.A N ALA 82.A O no hydrogen 2.777 N/A GLN 102.A NE2 THR 83.A O no hydrogen 2.993 N/A LEU 103.A N MET 96.A O no hydrogen 2.826 N/A ILE 104.A N ARG 80.A O no hydrogen 2.899 N/A TYR 105.A N LEU 94.A O no hydrogen 2.834 N/A TYR 105.A OH ASP 107.A OD2 no hydrogen 2.665 N/A ALA 106.A N LYS 78.A O no hydrogen 2.856 N/A ASP 107.A N HIS 91.A O no hydrogen 3.059 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 3.199 N/A LYS 110.A N ASP 107.A O no hydrogen 3.042 N/A GLY 112.A N ASP 107.A OD2 no hydrogen 2.786 N/A THR 113.A N HIS 72.A O no hydrogen 2.868 N/A TRP 114.A N MET 32.A O no hydrogen 2.897 N/A TRP 114.A NE1 TYR 79.A OH no hydrogen 2.858 N/A GLU 115.A N ILE 70.A O no hydrogen 2.897 N/A LEU 116.A N THR 35.A OG1 no hydrogen 2.879 N/A ILE 117.A N ARG 68.A O no hydrogen 2.824 N/A SER 118.A OG ASP 120.A OD1 no hydrogen 3.195 N/A THR 119.A N ASP 66.A O no hydrogen 3.007 N/A THR 119.A OG1 ASP 65.A O no hydrogen 2.733 N/A GLN 121.A N SER 118.A O no hydrogen 2.812 N/A VAL 122.A N THR 119.A O no hydrogen 3.220 N/A TYR 125.A N GLN 121.A O no hydrogen 2.958 N/A TYR 125.A OH GLU 115.A OE1 no hydrogen 2.592 N/A PHE 126.A N VAL 122.A O no hydrogen 3.213 N/A LEU 127.A N LEU 123.A O no hydrogen 2.998 N/A LYS 128.A N PRO 124.A O no hydrogen 2.851 N/A LYS 129.A N TYR 125.A O no hydrogen 3.288 N/A LYS 130.A N LEU 127.A O no hydrogen 2.887 N/A ILE 131.A N PHE 126.A O no hydrogen 3.422 N/A GLY 132.A N GLN 163.A O no hydrogen 2.679 N/A THR 136.A N GLU 134.A O no hydrogen 2.890 N/A THR 136.A OG1 ASP 139.A OD2 no hydrogen 2.955 N/A TYR 137.A OH GLU 206.A OE2.A no hydrogen 2.536 N/A ASP 139.A N THR 136.A OG1 no hydrogen 2.961 N/A PHE 140.A N THR 136.A O no hydrogen 2.807 N/A LYS 143.A N ASP 141.A OD1 no hydrogen 3.027 N/A LEU 144.A N ASP 141.A OD2 no hydrogen 3.148 N/A PHE 145.A N ASP 141.A O no hydrogen 3.160 N/A ARG 146.A N GLU 142.A O no hydrogen 2.805 N/A GLU 147.A N LYS 143.A O no hydrogen 3.133 N/A LYS 148.A N LEU 144.A O no hydrogen 2.918 N/A LEU 149.A N PHE 145.A O no hydrogen 2.985 N/A ARG 150.A N ARG 146.A O no hydrogen 2.975 N/A ARG 150.A NE GLU 147.A OE2 no hydrogen 3.111 N/A ARG 150.A NH2 GLU 147.A OE1 no hydrogen 2.828 N/A LYS 151.A N GLU 147.A O no hydrogen 3.201 N/A LYS 151.A N LYS 148.A O no hydrogen 3.304 N/A SER 152.A N LEU 149.A O no hydrogen 3.433 N/A LYS 154.A N SER 152.A OG no hydrogen 3.023 N/A LYS 154.A NZ GLU 162.A OE1 no hydrogen 2.966 N/A LYS 154.A NZ GLU 162.A OE2 no hydrogen 3.269 N/A LYS 155.A NZ GLU 186.A OE2 no hydrogen 3.084 N/A ILE 156.A N LYS 187.A O no hydrogen 2.789 N/A LYS 157.A N PRO 185.A O no hydrogen 3.096 N/A LYS 157.A NZ ASN 171.A OD1 no hydrogen 2.686 N/A LYS 157.A NZ ASP 175.A OD1 no hydrogen 2.704 N/A LYS 157.A NZ GLY 258.A O no hydrogen 3.017 N/A LYS 157.A NZ THR 259.A OG1 no hydrogen 3.006 N/A TYR 159.A N LYS 155.A O no hydrogen 3.128 N/A LEU 160.A N ILE 156.A O no hydrogen 2.911 N/A LEU 161.A N LYS 157.A O no hydrogen 3.002 N/A GLU 162.A N PRO 158.A O no hydrogen 3.166 N/A GLU 162.A N TYR 159.A O no hydrogen 3.124 N/A GLN 163.A N LEU 160.A O no hydrogen 3.415 N/A GLN 163.A NE2 LEU 161.A O no hydrogen 2.940 N/A GLN 163.A NE2 LEU 169.A O no hydrogen 2.837 N/A ALA 167.A N PRO 133.A O no hydrogen 2.806 N/A GLY 168.A N GLN 163.A OE1 no hydrogen 2.873 N/A GLY 170.A N GLU 2.A OE1 no hydrogen 2.811 N/A ASN 171.A ND2 GLY 258.A O no hydrogen 2.984 N/A ILE 172.A N GLU 2.A OE2 no hydrogen 2.731 N/A TYR 173.A N GLU 2.A OE1 no hydrogen 3.015 N/A TYR 173.A OH GLU 5.A OE2 no hydrogen 2.592 N/A TYR 173.A OH SER 217.A OG no hydrogen 2.820 N/A VAL 174.A N GLY 170.A O no hydrogen 2.963 N/A ASP 175.A N ASN 171.A O no hydrogen 3.401 N/A GLU 176.A N ILE 172.A O no hydrogen 3.086 N/A VAL 177.A N TYR 173.A O no hydrogen 2.805 N/A LEU 178.A N VAL 174.A O no hydrogen 2.989 N/A TRP 179.A N ASP 175.A O no hydrogen 3.108 N/A LEU 180.A N GLU 176.A O no hydrogen 3.037 N/A ALA 181.A N VAL 177.A O no hydrogen 2.834 N/A LYS 182.A N TRP 179.A O no hydrogen 3.047 N/A ILE 183.A N LEU 178.A O no hydrogen 2.984 N/A GLU 186.A N HIS 184.A ND1 no hydrogen 2.881 N/A LYS 187.A N HIS 184.A O no hydrogen 2.887 N/A LYS 187.A NZ LYS 268.A O no hydrogen 2.708 N/A THR 189.A N LYS 154.A O no hydrogen 2.992 N/A THR 189.A OG1 LEU 149.A O no hydrogen 2.792 N/A THR 189.A OG1 SER 152.A O no hydrogen 3.132 N/A GLN 191.A N GLU 188.A O no hydrogen 2.826 N/A GLN 191.A NE2 ASN 190.A OD1 no hydrogen 3.696 N/A LEU 192.A N THR 189.A O no hydrogen 2.957 N/A ILE 197.A N ILE 193.A O no hydrogen 2.877 N/A HIS 198.A N GLU 194.A O no hydrogen 2.870 N/A HIS 198.A ND1 GLU 142.A OE1 no hydrogen 2.642 N/A LEU 199.A N SER 195.A O no hydrogen 3.060 N/A LEU 200.A N SER 196.A O no hydrogen 2.897 N/A HIS 201.A N ILE 197.A O no hydrogen 2.859 N/A HIS 201.A ND1 ASP 202.A OD1 no hydrogen 2.833 N/A HIS 201.A NE2 PHE 140.A O no hydrogen 2.680 N/A ASP 202.A N HIS 198.A O no hydrogen 3.036 N/A SER 203.A N LEU 199.A O no hydrogen 2.876 N/A SER 203.A OG LEU 199.A O no hydrogen 2.606 N/A ILE 204.A N LEU 200.A O no hydrogen 2.927 N/A ILE 205.A N HIS 201.A O no hydrogen 3.369 N/A GLU 206.A N ASP 202.A O no hydrogen 2.796 N/A ILE 207.A N SER 203.A O no hydrogen 2.782 N/A LEU 208.A N ILE 204.A O no hydrogen 3.151 N/A GLN 209.A N ILE 205.A O no hydrogen 2.917 N/A GLN 209.A NE2 PRO 135.A O no hydrogen 3.022 N/A LYS 210.A N GLU 206.A O no hydrogen 2.969 N/A LYS 210.A NZ GLU 231.A OE1 no hydrogen 3.250 N/A ALA 211.A N ILE 207.A O no hydrogen 2.876 N/A ILE 212.A N LEU 208.A O no hydrogen 2.943 N/A LYS 213.A N GLN 209.A O no hydrogen 3.037 N/A LEU 214.A N LYS 210.A O no hydrogen 2.984 N/A GLY 215.A N ILE 212.A O no hydrogen 2.985 N/A GLY 216.A N ALA 211.A O no hydrogen 2.749 N/A SER 217.A N GLU 5.A OE2 no hydrogen 2.787 N/A SER 217.A OG TYR 173.A OH no hydrogen 2.820 N/A SER 218.A N GLN 229.A OE1 no hydrogen 2.884 N/A SER 218.A OG GLY 223.A O no hydrogen 3.065 N/A LEU 222.A N TYR 79.A O no hydrogen 2.932 N/A GLY 223.A N GLU 12.A OE1 no hydrogen 3.024 N/A SER 224.A OG ALA 221.A O no hydrogen 2.606 N/A GLY 226.A N SER 218.A OG no hydrogen 3.057 N/A LYS 227.A N LEU 214.A O no hydrogen 2.879 N/A MET 228.A N GLY 216.A O no hydrogen 2.950 N/A GLN 229.A N GLN 229.A OE1 no hydrogen 2.653 N/A GLN 229.A NE2 GLY 226.A O no hydrogen 2.847 N/A ASN 230.A N LYS 227.A O no hydrogen 3.174 N/A GLU 231.A N MET 228.A O no hydrogen 2.792 N/A LEU 232.A N GLN 229.A O no hydrogen 3.498 N/A GLN 233.A N GLU 176.A OE1 no hydrogen 2.571 N/A GLN 233.A NE2 GLU 231.A O no hydrogen 3.393 N/A VAL 234.A N GLU 176.A OE2 no hydrogen 2.846 N/A TYR 235.A N GLU 176.A OE2 no hydrogen 2.892 N/A LYS 237.A N VAL 234.A O no hydrogen 2.991 N/A LYS 237.A NZ GLU 240.A OE1 no hydrogen 3.194 N/A GLY 239.A N ILE 249.A O no hydrogen 2.775 N/A GLU 240.A N LYS 237.A O no hydrogen 2.948 N/A LYS 241.A NZ GLY 246.A O no hydrogen 3.351 N/A LYS 241.A NZ GLU 248.A OE2 no hydrogen 3.006 N/A CYS 242.A N ALA 247.A O no hydrogen 2.935 N/A CYS 242.A SG ALA 247.A O no hydrogen 3.462 N/A ALA 247.A N ARG 244.A O no hydrogen 3.090 N/A ILE 249.A N GLU 240.A O no hydrogen 2.787 N/A GLN 250.A N PHE 261.A O no hydrogen 2.865 N/A ILE 252.A N THR 259.A O no hydrogen 2.882 N/A VAL 254.A N ARG 257.A O no hydrogen 2.868 N/A ARG 257.A N VAL 254.A O no hydrogen 2.916 N/A THR 259.A N ILE 252.A O no hydrogen 2.728 N/A THR 259.A OG1 ARG 257.A O no hydrogen 2.888 N/A HIS 260.A N ASP 175.A OD2 no hydrogen 2.693 N/A HIS 260.A ND1 ASP 175.A OD2 no hydrogen 2.962 N/A PHE 261.A N GLN 250.A O no hydrogen 3.014 N/A CYS 262.A N GLN 266.A OE1 no hydrogen 2.824 N/A CYS 265.A N CYS 262.A O no hydrogen 2.845 N/A GLN 266.A N PRO 263.A O no hydrogen 3.078 N/A GLN 266.A NE2 ILE 183.A O no hydrogen 2.922 N/A GLN 267.A NE2 PRO 263.A O no hydrogen 2.914 N/A