Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1leg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N SER 105.A OG no hydrogen 2.954 N/A HIS 3.A N VAL 103.A O no hydrogen 2.913 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.638 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.852 N/A LEU 5.A N CYS 101.A O no hydrogen 2.912 N/A ARG 6.A N TYR 27.A O no hydrogen 2.845 N/A ARG 6.A NH1 ASP 29.A O no hydrogen 2.408 N/A ARG 6.A NH2 ASP 29.A O no hydrogen 3.214 N/A TYR 7.A N SER 99.A O no hydrogen 2.781 N/A PHE 8.A N VAL 25.A O no hydrogen 2.815 N/A VAL 9.A N VAL 97.A O no hydrogen 2.893 N/A THR 10.A N MET 23.A O no hydrogen 2.921 N/A ALA 11.A N ILE 95.A O no hydrogen 2.928 N/A VAL 12.A N ARG 21.A O no hydrogen 2.901 N/A SER 13.A N HIS 93.A O no hydrogen 3.043 N/A SER 13.A OG HIS 93.A O no hydrogen 3.553 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.762 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.352 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.432 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.852 N/A LEU 17.A N ARG 14.A O no hydrogen 2.834 N/A ARG 21.A N VAL 12.A O no hydrogen 2.872 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.935 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.374 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.464 N/A TYR 22.A N SER 38.A OG no hydrogen 2.794 N/A TYR 22.A OH GLU 24.A OE2 no hydrogen 2.854 N/A MET 23.A N THR 10.A O no hydrogen 2.922 N/A GLU 24.A N PHE 36.A O no hydrogen 2.840 N/A VAL 25.A N PHE 8.A O no hydrogen 2.969 N/A GLY 26.A N VAL 34.A O no hydrogen 2.946 N/A TYR 27.A N ARG 6.A O no hydrogen 2.685 N/A VAL 28.A N THR 31.A O no hydrogen 3.097 N/A ASP 29.A N SER 4.A O no hydrogen 2.914 N/A THR 31.A N VAL 28.A O no hydrogen 3.006 N/A THR 31.A OG1 TYR 208.A OH no hydrogen 2.796 N/A PHE 33.A N GLY 26.A O no hydrogen 2.967 N/A ARG 35.A N GLU 46.A O no hydrogen 3.100 N/A PHE 36.A N GLU 24.A O no hydrogen 2.813 N/A SER 38.A N TYR 22.A O no hydrogen 2.855 N/A SER 38.A OG TYR 22.A O no hydrogen 3.312 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.872 N/A ALA 40.A N ASP 37.A O no hydrogen 3.284 N/A ARG 44.A NH1 GLU 61.A OE1 no hydrogen 3.431 N/A ARG 44.A NH2 GLU 61.A OE1 no hydrogen 3.184 N/A TYR 45.A N THR 64.A OG1 no hydrogen 2.837 N/A TYR 45.A OH GLU 24.A OE1 no hydrogen 2.439 N/A GLU 46.A N ARG 35.A O no hydrogen 2.970 N/A ARG 48.A N PHE 33.A O no hydrogen 2.735 N/A ARG 48.A NE GLU 32.A OE2 no hydrogen 2.885 N/A MET 52.A N ALA 49.A O no hydrogen 3.117 N/A GLU 53.A N ARG 50.A O no hydrogen 3.050 N/A GLN 54.A N TRP 51.A O no hydrogen 3.062 N/A GLN 54.A NE2 ASN 173.A O no hydrogen 2.880 N/A GLU 55.A N MET 52.A O no hydrogen 3.158 N/A TYR 59.A N GLY 56.A O no hydrogen 3.102 N/A TYR 59.A OH TYR 170.A OH no hydrogen 2.522 N/A GLU 61.A N PRO 57.A O no hydrogen 2.991 N/A ARG 62.A N GLU 58.A O no hydrogen 2.985 N/A GLU 63.A N TYR 59.A O no hydrogen 2.938 N/A THR 64.A N TRP 60.A O no hydrogen 2.970 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.792 N/A GLN 65.A N GLU 61.A O no hydrogen 3.011 N/A GLN 65.A NE2 GLU 61.A O no hydrogen 3.473 N/A LYS 66.A N ARG 62.A O no hydrogen 3.039 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.775 N/A ALA 67.A N GLU 63.A O no hydrogen 2.978 N/A LYS 68.A N THR 64.A O no hydrogen 2.973 N/A GLY 69.A N GLN 65.A O no hydrogen 3.034 N/A ASN 70.A N LYS 66.A O no hydrogen 2.701 N/A ASN 70.A ND2 GLU 24.A OE2 no hydrogen 3.207 N/A GLU 71.A N ALA 67.A O no hydrogen 2.732 N/A GLN 72.A N LYS 68.A O no hydrogen 3.073 N/A SER 73.A N GLY 69.A O no hydrogen 3.024 N/A SER 73.A OG GLY 69.A O no hydrogen 3.460 N/A PHE 74.A N ASN 70.A O no hydrogen 3.041 N/A ARG 75.A N GLU 71.A O no hydrogen 3.031 N/A VAL 76.A N GLN 72.A O no hydrogen 2.973 N/A ASP 77.A N SER 73.A O no hydrogen 2.832 N/A LEU 78.A N PHE 74.A O no hydrogen 2.888 N/A ARG 79.A N ARG 75.A O no hydrogen 3.367 N/A THR 80.A N VAL 76.A O no hydrogen 2.882 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.130 N/A LEU 81.A N ASP 77.A O no hydrogen 2.847 N/A LEU 82.A N LEU 78.A O no hydrogen 3.189 N/A GLY 83.A N ARG 79.A O no hydrogen 3.439 N/A TYR 84.A N THR 80.A O no hydrogen 3.037 N/A TYR 85.A N LEU 81.A O no hydrogen 2.887 N/A TYR 85.A OH ASP 136.A OD2 no hydrogen 2.560 N/A ASN 86.A N GLY 83.A O no hydrogen 3.096 N/A GLN 87.A N LEU 82.A O no hydrogen 2.807 N/A GLY 90.A N SER 88.A OG no hydrogen 2.789 N/A SER 92.A OG SER 13.A O no hydrogen 2.555 N/A HIS 93.A N SER 13.A OG no hydrogen 2.914 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.917 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.018 N/A ILE 95.A N ALA 11.A O no hydrogen 2.912 N/A GLN 96.A N ALA 117.A O no hydrogen 2.966 N/A VAL 97.A N VAL 9.A O no hydrogen 2.912 N/A ILE 98.A N GLN 115.A O no hydrogen 2.973 N/A SER 99.A N TYR 7.A O no hydrogen 3.064 N/A SER 99.A OG GLN 114.A OE1 no hydrogen 2.885 N/A GLY 100.A N TYR 113.A O no hydrogen 3.031 N/A CYS 101.A N LEU 5.A O no hydrogen 2.905 N/A GLU 102.A N ARG 111.A O no hydrogen 2.791 N/A VAL 103.A N HIS 3.A O no hydrogen 2.858 N/A GLY 104.A N ARG 108.A O no hydrogen 2.901 N/A GLY 107.A N GLY 104.A O no hydrogen 2.898 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.992 N/A LEU 110.A N GLU 102.A O no hydrogen 2.685 N/A ARG 111.A N GLU 102.A O no hydrogen 3.272 N/A TYR 113.A N GLY 100.A O no hydrogen 2.994 N/A GLN 115.A N ILE 98.A O no hydrogen 2.947 N/A TYR 116.A N ILE 123.A O no hydrogen 2.714 N/A ALA 117.A N GLN 96.A O no hydrogen 2.817 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.612 N/A ASP 119.A N THR 94.A O no hydrogen 2.745 N/A TYR 122.A N TYR 116.A O no hydrogen 2.899 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.790 N/A ALA 124.A N THR 133.A O no hydrogen 3.084 N/A LEU 125.A N GLN 114.A O no hydrogen 2.923 N/A ASN 126.A N THR 131.A O no hydrogen 2.801 N/A ASN 126.A ND2 THR 131.A OG1 no hydrogen 2.769 N/A LEU 129.A N ASN 126.A O no hydrogen 2.833 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 2.363 N/A THR 131.A N ASP 128.A OD1 no hydrogen 3.036 N/A THR 131.A OG1 ASP 128.A OD2 no hydrogen 3.325 N/A THR 133.A N ALA 124.A O no hydrogen 2.797 N/A THR 133.A OG1 ALA 124.A O no hydrogen 3.391 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.532 N/A ALA 135.A N TYR 122.A O no hydrogen 2.824 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.798 N/A LEU 140.A N ASP 136.A O no hydrogen 3.221 N/A LEU 140.A N MET 137.A O no hydrogen 3.209 N/A ILE 141.A N ALA 138.A O no hydrogen 2.804 N/A THR 142.A N ALA 138.A O no hydrogen 3.480 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.790 N/A LYS 143.A N ALA 139.A O no hydrogen 2.867 N/A LYS 143.A NZ GLU 147.A OE2 no hydrogen 2.367 N/A HIS 144.A N LEU 140.A O no hydrogen 3.065 N/A LYS 145.A N ILE 141.A O no hydrogen 3.035 N/A LYS 145.A NZ TYR 84.A OH no hydrogen 2.974 N/A TRP 146.A N THR 142.A O no hydrogen 2.848 N/A GLU 147.A N LYS 143.A O no hydrogen 2.896 N/A GLN 148.A N HIS 144.A O no hydrogen 3.215 N/A ALA 149.A N LYS 145.A O no hydrogen 2.998 N/A GLY 150.A N GLU 147.A O no hydrogen 3.465 N/A GLU 151.A N TRP 146.A O no hydrogen 3.009 N/A ARG 154.A N GLY 150.A O no hydrogen 3.358 N/A ARG 154.A NE GLU 151.A OE1 no hydrogen 3.382 N/A ARG 154.A NE GLU 151.A OE2 no hydrogen 3.295 N/A ARG 154.A NH2 GLU 151.A OE1 no hydrogen 3.210 N/A LEU 155.A N GLU 151.A O no hydrogen 2.940 N/A ARG 156.A N ALA 152.A O no hydrogen 2.838 N/A ALA 157.A N GLU 153.A O no hydrogen 3.098 N/A TYR 158.A N ARG 154.A O no hydrogen 3.188 N/A LEU 159.A N LEU 155.A O no hydrogen 2.907 N/A GLU 160.A N ARG 156.A O no hydrogen 2.917 N/A GLY 161.A N ALA 157.A O no hydrogen 2.863 N/A CYS 163.A N TYR 158.A O no hydrogen 2.769 N/A GLU 165.A N GLY 161.A O no hydrogen 2.890 N/A TRP 166.A N THR 162.A O no hydrogen 2.980 N/A LEU 167.A N CYS 163.A O no hydrogen 3.006 N/A ARG 168.A N VAL 164.A O no hydrogen 2.975 N/A ARG 168.A NE GLY 107.A O no hydrogen 2.927 N/A ARG 168.A NH2 GLY 107.A O no hydrogen 2.977 N/A ARG 169.A N GLU 165.A O no hydrogen 3.107 N/A ARG 169.A NE GLU 55.A OE1 no hydrogen 3.348 N/A ARG 169.A NE GLU 55.A OE2 no hydrogen 2.749 N/A ARG 169.A NH2 GLU 55.A OE1 no hydrogen 2.727 N/A ARG 169.A NH2 GLU 55.A OE2 no hydrogen 3.289 N/A TYR 170.A N TRP 166.A O no hydrogen 2.822 N/A TYR 170.A OH TYR 59.A OH no hydrogen 2.522 N/A LEU 171.A N LEU 167.A O no hydrogen 2.992 N/A LYS 172.A N ARG 168.A O no hydrogen 3.019 N/A ASN 173.A N ARG 169.A O no hydrogen 2.825 N/A GLY 174.A N TYR 170.A O no hydrogen 2.788 N/A THR 177.A N GLY 174.A O no hydrogen 2.809 N/A LEU 178.A N GLY 174.A O no hydrogen 2.726 N/A LEU 179.A N ASN 175.A O no hydrogen 2.905 N/A ARG 180.A NE ASP 182.A OD2 no hydrogen 2.966 N/A ARG 180.A NH1 THR 177.A O no hydrogen 2.826 N/A ARG 180.A NH2 ASP 182.A OD2 no hydrogen 3.257 N/A ARG 180.A NH2 GLY 238.A O no hydrogen 3.016 N/A ASP 182.A N TYR 208.A O no hydrogen 2.850 N/A SER 183.A OG GLY 264.A O no hydrogen 2.610 N/A LYS 185.A N LEU 205.A O no hydrogen 2.981 N/A HIS 187.A N TRP 203.A O no hydrogen 3.096 N/A THR 189.A N ARG 201.A O no hydrogen 2.785 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.432 N/A HIS 190.A NE2 GLU 253.A OE2 no hydrogen 3.017 N/A HIS 191.A N THR 199.A O no hydrogen 2.953 N/A ARG 193.A N LYS 197.A O no hydrogen 2.934 N/A ARG 193.A NH1 THR 199.A OG1 no hydrogen 2.738 N/A LYS 197.A NZ GLU 195.A OE1 no hydrogen 2.649 N/A LYS 197.A NZ GLU 195.A OE2 no hydrogen 3.169 N/A VAL 198.A N VAL 248.A O no hydrogen 2.802 N/A THR 199.A N HIS 191.A O no hydrogen 2.784 N/A LEU 200.A N VAL 246.A O no hydrogen 2.900 N/A ARG 201.A N THR 189.A O no hydrogen 2.789 N/A CYS 202.A N ALA 244.A O no hydrogen 2.862 N/A TRP 203.A N HIS 187.A O no hydrogen 2.733 N/A ALA 204.A N LYS 242.A O no hydrogen 2.898 N/A LEU 205.A N LYS 185.A O no hydrogen 2.905 N/A PHE 207.A N PHE 240.A O no hydrogen 3.221 N/A TYR 208.A N ASP 182.A O no hydrogen 3.003 N/A TYR 208.A OH THR 31.A OG1 no hydrogen 2.796 N/A ALA 210.A N ASP 30.A OD2 no hydrogen 3.057 N/A THR 213.A N TYR 261.A O no hydrogen 2.960 N/A THR 215.A N HIS 259.A O no hydrogen 3.001 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 2.980 N/A GLN 217.A N THR 257.A O no hydrogen 2.856 N/A LEU 218.A N GLU 221.A O no hydrogen 2.927 N/A GLU 221.A N LEU 218.A O no hydrogen 2.853 N/A LEU 223.A N TRP 216.A O no hydrogen 2.783 N/A ASP 226.A N LEU 223.A O no hydrogen 3.284 N/A GLU 228.A N SER 245.A O no hydrogen 2.951 N/A VAL 230.A N TRP 243.A O no hydrogen 3.347 N/A ARG 233.A N GLN 241.A O no hydrogen 2.949 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 2.738 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 2.730 N/A ALA 235.A N THR 239.A O no hydrogen 2.929 N/A THR 239.A N ASP 237.A OD1 no hydrogen 3.157 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.615 N/A PHE 240.A N PHE 207.A O no hydrogen 2.789 N/A GLN 241.A N ARG 233.A O no hydrogen 2.957 N/A LYS 242.A N ALA 204.A O no hydrogen 3.017 N/A LYS 242.A NZ VAL 230.A O no hydrogen 3.176 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 3.311 N/A ALA 244.A N CYS 202.A O no hydrogen 3.005 N/A SER 245.A N GLU 228.A O no hydrogen 2.606 N/A SER 245.A OG GLU 228.A O no hydrogen 3.461 N/A VAL 246.A N LEU 200.A O no hydrogen 3.022 N/A VAL 248.A N VAL 198.A O no hydrogen 2.722 N/A LEU 250.A N ASP 196.A O no hydrogen 3.046 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 2.842 N/A LYS 252.A N PRO 249.A O no hydrogen 3.035 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.900 N/A TYR 255.A N LYS 252.A O no hydrogen 3.067 N/A TYR 256.A N GLU 253.A O no hydrogen 3.023 N/A THR 257.A N GLN 217.A O no hydrogen 3.138 N/A THR 257.A OG1 HIS 259.A NE2 no hydrogen 2.885 N/A CYS 258.A N LEU 271.A O no hydrogen 2.621 N/A CYS 258.A SG THR 215.A O no hydrogen 3.864 N/A HIS 259.A N THR 215.A O no hydrogen 2.763 N/A HIS 259.A NE2 THR 257.A OG1 no hydrogen 2.885 N/A VAL 260.A N LEU 269.A O no hydrogen 2.829 N/A TYR 261.A N THR 213.A O no hydrogen 2.909 N/A GLN 263.A NE2 THR 181.A OG1 no hydrogen 2.652 N/A LEU 265.A N HIS 262.A O no hydrogen 2.898 N/A LEU 269.A N VAL 260.A O no hydrogen 2.914 N/A THR 270.A OG1 HIS 259.A ND1 no hydrogen 3.245 N/A LEU 271.A N CYS 258.A O no hydrogen 2.749 N/A ARG 272.A NE GLN 254.A O no hydrogen 2.885 N/A ARG 272.A NH2 GLN 254.A O no hydrogen 2.743 N/A