Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pjj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ARG 74.A O no hydrogen 3.067 N/A GLU 2.A N GLU 5.A OE2 no hydrogen 3.030 N/A LEU 3.A N GLY 168.A O no hydrogen 3.130 N/A VAL 6.A N GLU 2.A O no hydrogen 3.054 N/A GLU 7.A N LEU 3.A O no hydrogen 2.795 N/A THR 8.A N PRO 4.A O no hydrogen 3.001 N/A THR 8.A OG1 PRO 4.A O no hydrogen 2.801 N/A VAL 9.A N GLU 5.A O no hydrogen 3.039 N/A ARG 10.A N VAL 6.A O no hydrogen 2.842 N/A ARG 10.A NE GLU 7.A OE1 no hydrogen 3.166 N/A ARG 10.A NE GLU 7.A OE2 no hydrogen 3.131 N/A ARG 10.A NH1 GLU 14.A OE1 no hydrogen 2.753 N/A ARG 10.A NH1 ILE 52.A O no hydrogen 2.858 N/A ARG 10.A NH2 GLU 7.A OE1 no hydrogen 3.214 N/A ARG 11.A N GLU 7.A O no hydrogen 2.947 N/A ARG 11.A NE GLU 7.A OE1 no hydrogen 2.806 N/A GLU 12.A N THR 8.A O no hydrogen 3.169 N/A LEU 13.A N VAL 9.A O no hydrogen 2.928 N/A GLU 14.A N ARG 10.A O no hydrogen 2.913 N/A LYS 15.A N ARG 11.A O no hydrogen 3.090 N/A ARG 16.A N GLU 12.A O no hydrogen 3.017 N/A ARG 16.A N LEU 13.A O no hydrogen 3.159 N/A ILE 17.A N LEU 13.A O no hydrogen 2.828 N/A GLY 19.A N ILE 49.A O no hydrogen 2.720 N/A GLN 20.A N ILE 17.A O no hydrogen 3.005 N/A ILE 22.A N LYS 47.A O no hydrogen 2.758 N/A ILE 23.A N LYS 97.A O no hydrogen 2.698 N/A SER 24.A N LYS 97.A O no hydrogen 3.368 N/A GLU 26.A N THR 95.A O no hydrogen 3.051 N/A THR 28.A N HIS 93.A O no hydrogen 2.842 N/A THR 28.A OG1 ASP 92.A O no hydrogen 2.943 N/A THR 28.A OG1 HIS 93.A O no hydrogen 3.368 N/A TYR 29.A N HIS 93.A O no hydrogen 3.348 N/A MET 32.A N TYR 29.A O no hydrogen 3.355 N/A VAL 33.A N PRO 30.A O no hydrogen 3.148 N/A LEU 34.A N TRP 114.A O no hydrogen 2.821 N/A GLY 36.A N VAL 33.A O no hydrogen 3.050 N/A GLN 39.A N GLN 39.A OE1 no hydrogen 2.686 N/A LEU 40.A N GLY 36.A O no hydrogen 3.087 N/A LYS 41.A N PHE 37.A O no hydrogen 2.777 N/A LYS 41.A NZ ILE 25.A O no hydrogen 2.961 N/A LYS 42.A N GLU 38.A O no hydrogen 2.955 N/A GLU 43.A N GLN 39.A O no hydrogen 3.014 N/A LEU 44.A N LEU 40.A O no hydrogen 2.891 N/A THR 45.A N LYS 41.A O no hydrogen 3.228 N/A THR 45.A OG1 LYS 41.A O no hydrogen 2.662 N/A GLY 46.A N ILE 22.A O no hydrogen 2.729 N/A LYS 47.A N LEU 44.A O no hydrogen 3.012 N/A LYS 47.A NZ GLU 43.A O no hydrogen 3.323 N/A ILE 49.A N GLN 20.A O no hydrogen 2.994 N/A GLN 50.A N.A GLU 62.A O no hydrogen 2.730 N/A GLN 50.A N.B GLU 62.A O no hydrogen 2.733 N/A GLN 50.A NE2.B ASP 65.A OD1 no hydrogen 2.713 N/A GLY 51.A N GLU 62.A O no hydrogen 3.315 N/A SER 53.A N ILE 60.A O no hydrogen 2.727 N/A SER 53.A OG GLU 62.A OE2 no hydrogen 2.699 N/A ARG 54.A NE GLU 7.A OE2 no hydrogen 2.724 N/A ARG 54.A NH1 GLY 56.A O no hydrogen 3.029 N/A ARG 54.A NH1 GLU 134.A OE1 no hydrogen 2.920 N/A ARG 54.A NH2 GLU 7.A OE2 no hydrogen 3.499 N/A ARG 54.A NH2 GLU 134.A OE1 no hydrogen 3.459 N/A ARG 55.A N TYR 58.A O no hydrogen 2.971 N/A ARG 55.A NH1 GLY 132.A O no hydrogen 2.874 N/A ARG 55.A NH1 GLU 134.A OE2 no hydrogen 2.932 N/A ARG 55.A NH2 GLY 132.A O no hydrogen 2.905 N/A GLY 56.A N GLU 134.A OE2 no hydrogen 2.760 N/A LYS 57.A NZ LEU 169.A O no hydrogen 2.849 N/A TYR 58.A N ARG 55.A O no hydrogen 2.832 N/A LEU 59.A N SER 71.A O no hydrogen 2.831 N/A ILE 60.A N SER 53.A O no hydrogen 2.820 N/A PHE 61.A N LEU 69.A O no hydrogen 2.847 N/A GLU 62.A N GLY 51.A O no hydrogen 2.839 N/A ILE 63.A N PHE 67.A O no hydrogen 3.087 N/A GLY 64.A N THR 48.A O no hydrogen 2.982 N/A PHE 67.A N ILE 63.A O no hydrogen 3.234 N/A ARG 68.A N ILE 117.A O no hydrogen 2.843 N/A ARG 68.A NH1 PHE 67.A O no hydrogen 2.819 N/A LEU 69.A N PHE 61.A O no hydrogen 2.846 N/A ILE 70.A N GLU 115.A O no hydrogen 2.800 N/A SER 71.A N LEU 59.A O no hydrogen 2.821 N/A SER 71.A OG TYR 79.A OH no hydrogen 2.696 N/A HIS 72.A N THR 113.A O no hydrogen 3.017 N/A ARG 74.A N HIS 72.A ND1 no hydrogen 2.909 N/A GLY 77.A N LEU 73.A O no hydrogen 2.917 N/A LYS 78.A N ALA 106.A O no hydrogen 2.804 N/A TYR 79.A OH SER 71.A OG no hydrogen 2.696 N/A ARG 80.A N ILE 104.A O no hydrogen 3.074 N/A ARG 80.A NH1 ASP 92.A OD1 no hydrogen 2.852 N/A ARG 80.A NH2 ASP 92.A OD1 no hydrogen 3.533 N/A ARG 80.A NH2 ASP 92.A OD2 no hydrogen 2.810 N/A ALA 82.A N GLN 102.A O no hydrogen 2.849 N/A THR 83.A OG1 ASP 85.A OD1 no hydrogen 2.625 N/A ALA 86.A N THR 83.A O no hydrogen 3.061 N/A ARG 88.A NH1 ASP 92.A O no hydrogen 2.733 N/A ARG 88.A NH2 ASP 92.A O no hydrogen 3.065 N/A GLU 89.A N ASP 92.A OD2 no hydrogen 2.909 N/A ASP 92.A N GLU 89.A O no hydrogen 3.103 N/A HIS 93.A N TYR 105.A O no hydrogen 2.794 N/A HIS 93.A NE2 ASP 107.A O no hydrogen 2.664 N/A LEU 94.A N TYR 105.A O no hydrogen 3.380 N/A THR 95.A N GLU 26.A O no hydrogen 3.007 N/A THR 95.A OG1 GLN 102.A OE1 no hydrogen 2.648 N/A THR 95.A OG1 LEU 103.A O no hydrogen 3.442 N/A MET 96.A N LEU 103.A O no hydrogen 2.842 N/A LYS 97.A N SER 24.A O no hydrogen 2.795 N/A LYS 97.A NZ GLU 26.A OE1 no hydrogen 3.001 N/A PHE 98.A N GLY 101.A O no hydrogen 2.732 N/A GLN 102.A N ALA 82.A O no hydrogen 2.825 N/A GLN 102.A NE2 THR 83.A O no hydrogen 2.925 N/A LEU 103.A N MET 96.A O no hydrogen 2.845 N/A ILE 104.A N ARG 80.A O no hydrogen 2.891 N/A TYR 105.A N LEU 94.A O no hydrogen 2.839 N/A TYR 105.A OH ASP 107.A OD1 no hydrogen 2.764 N/A ALA 106.A N LYS 78.A O no hydrogen 2.870 N/A ASP 107.A N HIS 91.A O no hydrogen 3.088 N/A LYS 110.A N ASP 107.A O no hydrogen 3.148 N/A GLY 112.A N ASP 107.A OD1 no hydrogen 2.713 N/A THR 113.A N HIS 72.A O no hydrogen 3.033 N/A TRP 114.A N MET 32.A O no hydrogen 2.994 N/A TRP 114.A NE1 TYR 79.A OH no hydrogen 2.877 N/A GLU 115.A N ILE 70.A O no hydrogen 2.911 N/A LEU 116.A N THR 35.A OG1 no hydrogen 2.917 N/A ILE 117.A N ARG 68.A O no hydrogen 2.979 N/A SER 118.A N GLN 121.A OE1 no hydrogen 2.843 N/A SER 118.A OG ASP 120.A OD1 no hydrogen 2.959 N/A THR 119.A N ASP 66.A O no hydrogen 2.988 N/A THR 119.A OG1 ASP 65.A O no hydrogen 3.266 N/A GLN 121.A N SER 118.A O no hydrogen 2.842 N/A VAL 122.A N THR 119.A O no hydrogen 3.464 N/A TYR 125.A N GLN 121.A O no hydrogen 2.909 N/A TYR 125.A OH GLU 115.A OE1 no hydrogen 2.642 N/A PHE 126.A N VAL 122.A O no hydrogen 3.152 N/A LEU 127.A N LEU 123.A O no hydrogen 2.968 N/A LYS 128.A N PRO 124.A O no hydrogen 2.886 N/A LYS 129.A N TYR 125.A O no hydrogen 3.183 N/A LYS 130.A N LEU 127.A O no hydrogen 3.012 N/A ILE 131.A N PHE 126.A O no hydrogen 3.459 N/A GLY 132.A N GLN 163.A O no hydrogen 2.655 N/A THR 136.A N GLU 134.A O no hydrogen 2.915 N/A THR 136.A OG1 GLU 138.A OE2 no hydrogen 3.372 N/A TYR 137.A OH GLU 206.A OE2 no hydrogen 2.583 N/A GLU 138.A N GLU 138.A OE2 no hydrogen 2.630 N/A ASP 139.A N THR 136.A OG1 no hydrogen 3.045 N/A PHE 140.A N THR 136.A O no hydrogen 2.811 N/A LYS 143.A N ASP 141.A OD1 no hydrogen 3.054 N/A LEU 144.A N ASP 141.A OD2 no hydrogen 3.052 N/A PHE 145.A N ASP 141.A O no hydrogen 3.155 N/A ARG 146.A N GLU 142.A O no hydrogen 2.804 N/A GLU 147.A N LYS 143.A O no hydrogen 3.075 N/A LYS 148.A N LEU 144.A O no hydrogen 2.980 N/A LEU 149.A N PHE 145.A O no hydrogen 3.064 N/A ARG 150.A N ARG 146.A O no hydrogen 2.935 N/A ARG 150.A NH1 GLU 147.A OE2 no hydrogen 3.362 N/A LYS 151.A N GLU 147.A O no hydrogen 3.218 N/A SER 152.A N LEU 149.A O no hydrogen 3.331 N/A LYS 154.A N SER 152.A OG no hydrogen 2.933 N/A LYS 154.A NZ GLU 162.A OE1 no hydrogen 3.221 N/A LYS 154.A NZ GLU 162.A OE2 no hydrogen 2.653 N/A ILE 156.A N LYS 187.A O no hydrogen 2.849 N/A LYS 157.A N PRO 185.A O no hydrogen 3.188 N/A LYS 157.A NZ ASN 171.A OD1 no hydrogen 2.791 N/A LYS 157.A NZ ASP 175.A OD1 no hydrogen 2.843 N/A LYS 157.A NZ GLY 261.A O no hydrogen 2.961 N/A LYS 157.A NZ THR 262.A OG1 no hydrogen 2.908 N/A TYR 159.A N LYS 155.A O no hydrogen 3.075 N/A LEU 160.A N ILE 156.A O no hydrogen 2.956 N/A LEU 161.A N LYS 157.A O no hydrogen 3.042 N/A GLU 162.A N TYR 159.A O no hydrogen 3.129 N/A GLN 163.A NE2 LEU 161.A O no hydrogen 3.163 N/A GLN 163.A NE2 LEU 169.A O no hydrogen 2.770 N/A THR 164.A OG1 GLU 162.A OE1 no hydrogen 3.264 N/A ALA 167.A N PRO 133.A O no hydrogen 2.846 N/A GLY 168.A N GLN 163.A OE1 no hydrogen 2.848 N/A GLY 170.A N GLU 2.A OE1 no hydrogen 2.797 N/A ASN 171.A ND2 GLY 261.A O no hydrogen 2.941 N/A ILE 172.A N GLU 2.A OE2 no hydrogen 2.975 N/A TYR 173.A N GLU 2.A OE1 no hydrogen 2.950 N/A TYR 173.A OH GLU 5.A OE1 no hydrogen 2.579 N/A TYR 173.A OH SER 217.A OG no hydrogen 2.749 N/A VAL 174.A N GLY 170.A O no hydrogen 2.967 N/A ASP 175.A N ASN 171.A O no hydrogen 3.385 N/A GLU 176.A N ILE 172.A O no hydrogen 3.073 N/A VAL 177.A N TYR 173.A O no hydrogen 2.814 N/A LEU 178.A N VAL 174.A O no hydrogen 3.005 N/A TRP 179.A N ASP 175.A O no hydrogen 3.133 N/A LEU 180.A N GLU 176.A O no hydrogen 2.982 N/A ALA 181.A N VAL 177.A O no hydrogen 2.907 N/A LYS 182.A N TRP 179.A O no hydrogen 3.100 N/A ILE 183.A N LEU 178.A O no hydrogen 2.907 N/A GLU 186.A N HIS 184.A ND1 no hydrogen 2.982 N/A LYS 187.A N HIS 184.A O no hydrogen 3.033 N/A THR 189.A N LYS 154.A O no hydrogen 2.951 N/A THR 189.A OG1 LEU 149.A O no hydrogen 2.701 N/A THR 189.A OG1 SER 152.A O no hydrogen 3.152 N/A GLN 191.A N GLU 188.A O no hydrogen 3.024 N/A GLN 191.A NE2 GLU 188.A OE2 no hydrogen 3.540 N/A LEU 192.A N THR 189.A O no hydrogen 3.132 N/A SER 196.A N.B ILE 193.A O no hydrogen 3.056 N/A ILE 197.A N ILE 193.A O no hydrogen 3.017 N/A HIS 198.A N GLU 194.A O no hydrogen 2.898 N/A HIS 198.A ND1 GLU 142.A OE1 no hydrogen 2.738 N/A LEU 199.A N SER 195.A O no hydrogen 3.026 N/A LEU 200.A N SER 196.A O.A no hydrogen 2.847 N/A LEU 200.A N SER 196.A O.B no hydrogen 2.810 N/A HIS 201.A N ILE 197.A O no hydrogen 2.888 N/A HIS 201.A ND1 ASP 202.A OD1 no hydrogen 2.947 N/A HIS 201.A NE2 PHE 140.A O no hydrogen 2.804 N/A ASP 202.A N HIS 198.A O no hydrogen 3.093 N/A SER 203.A N LEU 199.A O no hydrogen 2.879 N/A SER 203.A OG LEU 199.A O no hydrogen 2.618 N/A ILE 204.A N LEU 200.A O no hydrogen 2.910 N/A ILE 205.A N HIS 201.A O no hydrogen 3.378 N/A GLU 206.A N ASP 202.A O no hydrogen 2.837 N/A ILE 207.A N SER 203.A O no hydrogen 2.887 N/A LEU 208.A N ILE 204.A O no hydrogen 3.261 N/A GLN 209.A N ILE 205.A O no hydrogen 3.014 N/A GLN 209.A NE2 PRO 135.A O no hydrogen 3.231 N/A LYS 210.A N GLU 206.A O no hydrogen 2.923 N/A LYS 210.A NZ GLU 234.A OE1 no hydrogen 3.143 N/A ALA 211.A N ILE 207.A O no hydrogen 2.884 N/A ILE 212.A N LEU 208.A O no hydrogen 2.912 N/A LYS 213.A N GLN 209.A O no hydrogen 2.987 N/A LEU 214.A N LYS 210.A O no hydrogen 2.993 N/A GLY 215.A N ILE 212.A O no hydrogen 2.999 N/A GLY 216.A N ALA 211.A O no hydrogen 2.767 N/A SER 217.A N GLU 5.A OE1 no hydrogen 2.729 N/A SER 217.A OG TYR 173.A OH no hydrogen 2.749 N/A SER 218.A N GLN 232.A OE1 no hydrogen 2.723 N/A ALA 224.A N TYR 222.A O no hydrogen 2.658 N/A LEU 225.A N TYR 79.A O no hydrogen 2.800 N/A GLY 226.A N GLU 12.A OE1 no hydrogen 3.058 N/A GLY 226.A N GLU 12.A OE2 no hydrogen 2.942 N/A SER 227.A OG TYR 222.A O no hydrogen 2.668 N/A SER 227.A OG ALA 224.A O no hydrogen 2.672 N/A GLY 229.A N SER 218.A OG no hydrogen 3.240 N/A LYS 230.A N LEU 214.A O no hydrogen 2.824 N/A MET 231.A N GLY 216.A O no hydrogen 3.077 N/A GLN 232.A NE2 GLY 229.A O no hydrogen 2.866 N/A ASN 233.A N LYS 230.A O no hydrogen 3.187 N/A GLU 234.A N MET 231.A O no hydrogen 2.755 N/A GLN 236.A N GLU 176.A OE1 no hydrogen 2.700 N/A GLN 236.A NE2 GLU 234.A O no hydrogen 3.175 N/A VAL 237.A N GLU 176.A OE2 no hydrogen 2.863 N/A TYR 238.A N GLU 176.A OE2 no hydrogen 2.943 N/A LYS 240.A N VAL 237.A O no hydrogen 2.827 N/A GLY 242.A N ILE 252.A O no hydrogen 2.836 N/A GLU 243.A N LYS 240.A O no hydrogen 2.859 N/A CYS 245.A N ALA 250.A O no hydrogen 2.701 N/A SER 246.A OG GLN 236.A OE1 no hydrogen 2.578 N/A ARG 247.A NH1 TRP 179.A O no hydrogen 3.112 N/A ARG 247.A NH1 LEU 180.A O no hydrogen 3.489 N/A ARG 247.A NH2 TRP 179.A O no hydrogen 2.699 N/A ILE 252.A N GLU 243.A O no hydrogen 2.695 N/A GLN 253.A N PHE 264.A O no hydrogen 2.914 N/A GLN 253.A NE2 GLU 251.A O no hydrogen 3.604 N/A ILE 255.A N THR 262.A O no hydrogen 2.819 N/A LYS 256.A NZ GLY 259.A O no hydrogen 3.558 N/A VAL 257.A N ARG 260.A O no hydrogen 3.047 N/A ARG 260.A N VAL 257.A O no hydrogen 2.937 N/A THR 262.A N ILE 255.A O no hydrogen 2.759 N/A THR 262.A OG1 ARG 260.A O no hydrogen 2.940 N/A HIS 263.A N ASP 175.A OD2 no hydrogen 2.894 N/A HIS 263.A ND1 ASP 175.A OD2 no hydrogen 2.936 N/A PHE 264.A N GLN 253.A O no hydrogen 2.997 N/A CYS 265.A N GLN 269.A OE1 no hydrogen 2.963 N/A GLN 269.A N CYS 265.A O no hydrogen 2.885 N/A GLN 269.A NE2 ILE 183.A O no hydrogen 2.838 N/A GLN 270.A NE2 VAL 267.A O no hydrogen 2.822 N/A LYS 271.A NZ GLU 186.A OE1 no hydrogen 3.524 N/A