Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dau_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N MET 1.A O no hydrogen 3.063 N/A ARG 6.A NH1 GLU 43.A OE1 no hydrogen 3.389 N/A ARG 6.A NH1 GLU 43.A OE2 no hydrogen 2.712 N/A ARG 6.A NH2 GLU 43.A OE1 no hydrogen 2.589 N/A LEU 9.A N GLU 5.A O no hydrogen 2.869 N/A ILE 10.A N ARG 6.A O no hydrogen 3.056 N/A GLN 11.A N ALA 7.A O no hydrogen 2.805 N/A LYS 12.A N SER 8.A O no hydrogen 2.839 N/A ALA 13.A N LEU 9.A O no hydrogen 2.760 N/A LYS 14.A N ILE 10.A O no hydrogen 3.061 N/A LEU 15.A N GLN 11.A O no hydrogen 3.112 N/A ALA 16.A N LYS 12.A O no hydrogen 2.801 N/A GLU 17.A N ALA 13.A O no hydrogen 2.867 N/A GLN 18.A N LYS 14.A O no hydrogen 3.024 N/A ALA 19.A N LEU 15.A O no hydrogen 2.891 N/A GLU 20.A N GLU 17.A O no hydrogen 2.959 N/A ARG 21.A N ALA 16.A O no hydrogen 2.685 N/A ARG 21.A NE ASP 24.A OD2 no hydrogen 2.855 N/A ARG 21.A NH2 ASP 24.A OD2 no hydrogen 2.795 N/A MET 25.A N ARG 21.A O no hydrogen 2.900 N/A ALA 26.A N TYR 22.A O no hydrogen 2.849 N/A ALA 27.A N GLU 23.A O no hydrogen 2.956 N/A PHE 28.A N ASP 24.A O no hydrogen 2.820 N/A MET 29.A N MET 25.A O no hydrogen 2.852 N/A LYS 30.A N ALA 26.A O no hydrogen 2.807 N/A LYS 30.A NZ GLU 34.A OE1 no hydrogen 3.346 N/A LYS 30.A NZ GLU 34.A OE2 no hydrogen 2.464 N/A GLY 31.A N ALA 27.A O no hydrogen 2.959 N/A ALA 32.A N PHE 28.A O no hydrogen 2.789 N/A VAL 33.A N MET 29.A O no hydrogen 2.730 N/A GLU 34.A N LYS 30.A O no hydrogen 2.803 N/A LYS 35.A N ALA 32.A O no hydrogen 2.992 N/A LYS 35.A NZ MET 1.A O no hydrogen 3.180 N/A LYS 35.A NZ MET 4.A O no hydrogen 2.620 N/A GLY 36.A N VAL 33.A O no hydrogen 2.862 N/A SER 40.A N GLU 43.A OE1 no hydrogen 2.702 N/A GLU 43.A N SER 40.A OG no hydrogen 3.141 N/A ARG 44.A N SER 40.A O no hydrogen 2.806 N/A ARG 44.A NH1 LEU 39.A O no hydrogen 2.874 N/A ASN 45.A N CYS 41.A O.A no hydrogen 2.967 N/A ASN 45.A N CYS 41.A O.B no hydrogen 3.187 N/A LEU 46.A N GLU 42.A O no hydrogen 3.051 N/A LEU 47.A N GLU 43.A O no hydrogen 2.936 N/A SER 48.A N.A ARG 44.A O no hydrogen 2.910 N/A SER 48.A N.B ARG 44.A O no hydrogen 2.947 N/A SER 48.A OG.B ASN 45.A O no hydrogen 3.531 N/A VAL 49.A N ASN 45.A O no hydrogen 2.822 N/A ALA 50.A N LEU 46.A O no hydrogen 2.920 N/A TYR 51.A N LEU 47.A O no hydrogen 3.085 N/A LYS 52.A N SER 48.A O.A no hydrogen 2.806 N/A LYS 52.A N SER 48.A O.B no hydrogen 2.916 N/A ASN 53.A N VAL 49.A O no hydrogen 3.094 N/A ASN 53.A ND2 VAL 49.A O no hydrogen 2.751 N/A VAL 54.A N ALA 50.A O no hydrogen 3.031 N/A VAL 55.A N.A TYR 51.A O no hydrogen 2.748 N/A VAL 55.A N.B TYR 51.A O no hydrogen 2.765 N/A GLY 56.A N LYS 52.A O no hydrogen 2.717 N/A GLY 57.A N ASN 53.A O no hydrogen 3.042 N/A GLN 58.A N VAL 54.A O no hydrogen 3.199 N/A GLN 58.A NE2 GLU 84.A OE2.B no hydrogen 2.782 N/A ARG 59.A N VAL 55.A O.A no hydrogen 2.729 N/A ARG 59.A N VAL 55.A O.B no hydrogen 2.684 N/A ARG 59.A NE GLU 126.A OE1 no hydrogen 3.024 N/A ARG 59.A NH2 GLU 126.A OE1 no hydrogen 3.373 N/A ARG 59.A NH2 GLU 126.A OE2 no hydrogen 2.814 N/A ALA 60.A N GLY 56.A O no hydrogen 3.044 N/A ALA 61.A N GLY 57.A O no hydrogen 2.931 N/A TRP 62.A N GLN 58.A O no hydrogen 2.768 N/A TRP 62.A NE1 GLU 82.A OE1 no hydrogen 2.804 N/A ARG 63.A N ARG 59.A O no hydrogen 2.915 N/A VAL 64.A N ALA 60.A O no hydrogen 3.171 N/A LEU 65.A N ALA 61.A O no hydrogen 2.947 N/A SER 66.A N.A TRP 62.A O no hydrogen 2.696 N/A SER 66.A N.B TRP 62.A O no hydrogen 2.733 N/A SER 66.A OG.B TRP 62.A O no hydrogen 2.795 N/A SER 67.A N.A ARG 63.A O no hydrogen 3.057 N/A SER 67.A N.B ARG 63.A O no hydrogen 2.830 N/A SER 67.A OG.B ARG 63.A O no hydrogen 3.095 N/A SER 67.A OG.B VAL 64.A O no hydrogen 2.720 N/A ILE 68.A N VAL 64.A O no hydrogen 3.018 N/A GLU 69.A N LEU 65.A O no hydrogen 2.774 N/A GLN 70.A N SER 66.A O.A no hydrogen 2.773 N/A GLN 70.A N SER 66.A O.B no hydrogen 2.959 N/A GLU 73.A N GLU 73.A OE1 no hydrogen 2.880 N/A ARG 75.A NH1 GLU 79.A OE2 no hydrogen 3.137 N/A GLU 76.A N PRO 72.A O no hydrogen 2.750 N/A TYR 77.A N GLU 73.A O no hydrogen 2.893 N/A TYR 77.A N VAL 74.A O no hydrogen 3.179 N/A ARG 78.A N VAL 74.A O no hydrogen 2.889 N/A ARG 78.A NE GLU 69.A OE1 no hydrogen 2.687 N/A ARG 78.A NH1 GLU 82.A OE1 no hydrogen 2.913 N/A ARG 78.A NH2 GLU 69.A OE1 no hydrogen 3.336 N/A ARG 78.A NH2 GLU 69.A OE2 no hydrogen 2.727 N/A GLU 79.A N ARG 75.A O no hydrogen 2.858 N/A LYS 80.A N GLU 76.A O no hydrogen 2.905 N/A LYS 80.A NZ GLU 84.A OE1.A no hydrogen 2.775 N/A VAL 81.A N TYR 77.A O no hydrogen 2.931 N/A GLU 82.A N ARG 78.A O no hydrogen 2.714 N/A THR 83.A N GLU 79.A O no hydrogen 2.777 N/A THR 83.A OG1 GLU 79.A O no hydrogen 2.707 N/A GLU 84.A N.A LYS 80.A O no hydrogen 3.046 N/A GLU 84.A N.B LYS 80.A O no hydrogen 3.030 N/A LEU 85.A N.A VAL 81.A O no hydrogen 2.980 N/A LEU 85.A N.B VAL 81.A O no hydrogen 2.806 N/A GLN 86.A N GLU 82.A O no hydrogen 2.890 N/A GLY 87.A N THR 83.A O no hydrogen 2.848 N/A VAL 88.A N GLU 84.A O.A no hydrogen 2.945 N/A VAL 88.A N GLU 84.A O.B no hydrogen 2.998 N/A CYS 89.A N LEU 85.A O.A no hydrogen 2.784 N/A CYS 89.A N LEU 85.A O.B no hydrogen 3.172 N/A CYS 89.A SG LEU 85.A O.A no hydrogen 3.451 N/A CYS 89.A SG LEU 85.A O.B no hydrogen 3.163 N/A CYS 89.A SG TYR 120.A O no hydrogen 3.756 N/A ASP 90.A N GLN 86.A O no hydrogen 2.777 N/A THR 91.A N.A GLY 87.A O no hydrogen 2.930 N/A THR 91.A N.A VAL 88.A O no hydrogen 3.129 N/A THR 91.A N.B GLY 87.A O no hydrogen 2.854 N/A THR 91.A OG1.A GLY 87.A O no hydrogen 3.223 N/A THR 91.A OG1.A VAL 88.A O no hydrogen 2.738 N/A THR 91.A OG1.B GLY 87.A O no hydrogen 2.805 N/A VAL 92.A N VAL 88.A O no hydrogen 2.937 N/A LEU 93.A N CYS 89.A O no hydrogen 2.876 N/A GLY 94.A N ASP 90.A O no hydrogen 2.784 N/A LEU 95.A N THR 91.A O.A no hydrogen 3.065 N/A LEU 95.A N THR 91.A O.B no hydrogen 2.977 N/A LEU 96.A N VAL 92.A O no hydrogen 2.942 N/A ASP 97.A N LEU 93.A O no hydrogen 2.926 N/A SER 98.A N GLY 94.A O no hydrogen 2.750 N/A LEU 100.A N LEU 95.A O no hydrogen 3.201 N/A ILE 101.A N LEU 96.A O no hydrogen 2.789 N/A GLU 103.A N.A HIS 99.A O no hydrogen 3.311 N/A GLU 103.A N.B HIS 99.A O no hydrogen 3.281 N/A ALA 104.A N ILE 101.A O no hydrogen 3.008 N/A SER 109.A N.B ASP 106.A O no hydrogen 3.460 N/A SER 109.A OG.A ASP 106.A O no hydrogen 2.905 N/A ARG 110.A N ASP 106.A O no hydrogen 2.928 N/A ARG 110.A NH1 ALA 104.A O no hydrogen 3.099 N/A VAL 111.A N ALA 107.A O no hydrogen 2.895 N/A PHE 112.A N GLU 108.A O.A no hydrogen 3.288 N/A PHE 112.A N GLU 108.A O.C no hydrogen 2.755 N/A TYR 113.A N SER 109.A O.A no hydrogen 2.980 N/A TYR 113.A N SER 109.A O.B no hydrogen 3.003 N/A LEU 114.A N ARG 110.A O no hydrogen 2.916 N/A LYS 115.A N VAL 111.A O no hydrogen 2.788 N/A LYS 115.A NZ ASP 119.A OD2 no hydrogen 2.750 N/A MET 116.A N PHE 112.A O no hydrogen 3.023 N/A LYS 117.A N TYR 113.A O no hydrogen 2.721 N/A GLY 118.A N LEU 114.A O no hydrogen 2.918 N/A ASP 119.A N LYS 115.A O no hydrogen 2.814 N/A TYR 120.A N MET 116.A O no hydrogen 2.957 N/A TYR 121.A N LYS 117.A O no hydrogen 3.008 N/A ARG 122.A N GLY 118.A O no hydrogen 2.689 N/A ARG 122.A NE TYR 141.A OH no hydrogen 2.885 N/A ARG 122.A NH2 ASP 119.A OD1 no hydrogen 3.363 N/A TYR 123.A N ASP 119.A O no hydrogen 2.745 N/A LEU 124.A N TYR 120.A O no hydrogen 2.991 N/A ALA 125.A N TYR 121.A O no hydrogen 2.689 N/A GLU 126.A N ARG 122.A O no hydrogen 2.890 N/A VAL 127.A N LEU 124.A O no hydrogen 3.179 N/A ALA 128.A N ALA 125.A O no hydrogen 3.119 N/A ILE 134.A N LYS 130.A O no hydrogen 3.030 N/A ASP 135.A N LYS 131.A O no hydrogen 2.843 N/A SER 136.A N ARG 132.A O no hydrogen 2.735 N/A SER 136.A OG ARG 132.A O no hydrogen 2.959 N/A ALA 137.A N ILE 133.A O no hydrogen 2.784 N/A ARG 138.A N.A ILE 134.A O no hydrogen 2.835 N/A ARG 138.A N.B ILE 134.A O no hydrogen 2.829 N/A ARG 138.A NE.B ASP 135.A OD1 no hydrogen 3.177 N/A ARG 138.A NH1.A ASP 135.A OD1 no hydrogen 3.014 N/A ARG 138.A NH2.B ASP 135.A OD1 no hydrogen 3.500 N/A ARG 138.A NH2.B ASP 135.A OD2 no hydrogen 3.494 N/A SER 139.A N ASP 135.A O no hydrogen 2.725 N/A SER 139.A OG.A ASP 135.A O no hydrogen 2.985 N/A SER 139.A OG.A SER 136.A O no hydrogen 3.228 N/A ALA 140.A N SER 136.A O no hydrogen 3.049 N/A TYR 141.A N ALA 137.A O no hydrogen 2.922 N/A TYR 141.A OH ASP 119.A OD1 no hydrogen 2.509 N/A GLN 142.A N ARG 138.A O.A no hydrogen 2.758 N/A GLN 142.A N ARG 138.A O.B no hydrogen 2.797 N/A GLN 142.A NE2 GLN 142.A O no hydrogen 3.252 N/A GLN 142.A NE2 ASP 146.A OD1 no hydrogen 2.949 N/A GLU 143.A N SER 139.A O no hydrogen 3.056 N/A ALA 144.A N ALA 140.A O no hydrogen 2.998 N/A MET 145.A N TYR 141.A O no hydrogen 2.633 N/A ASP 146.A N GLN 142.A O no hydrogen 2.802 N/A ILE 147.A N GLU 143.A O no hydrogen 3.091 N/A SER 148.A N.A ALA 144.A O no hydrogen 2.970 N/A SER 148.A N.B ALA 144.A O no hydrogen 2.939 N/A SER 148.A OG.A ALA 144.A O no hydrogen 3.411 N/A SER 148.A OG.A MET 145.A O no hydrogen 3.018 N/A LYS 149.A N MET 145.A O no hydrogen 2.889 N/A LYS 150.A N ASP 146.A O no hydrogen 3.070 N/A GLU 151.A N.A ILE 147.A O no hydrogen 2.717 N/A GLU 151.A N.A SER 148.A O.A no hydrogen 3.269 N/A GLU 151.A N.B ILE 147.A O no hydrogen 2.694 N/A MET 152.A N SER 148.A O.A no hydrogen 2.812 N/A MET 152.A N SER 148.A O.B no hydrogen 3.202 N/A THR 155.A OG1 ASP 194.A OD2 no hydrogen 2.721 N/A ASN 156.A N PRO 153.A O no hydrogen 2.952 N/A ARG 159.A N ASN 156.A OD1 no hydrogen 3.195 N/A ARG 159.A NH1 MET 152.A O no hydrogen 2.761 N/A LEU 160.A N ASN 156.A O no hydrogen 2.866 N/A GLY 161.A N PRO 157.A O no hydrogen 2.697 N/A LEU 162.A N ILE 158.A O no hydrogen 2.789 N/A ALA 163.A N ARG 159.A O no hydrogen 2.944 N/A LEU 164.A N LEU 160.A O no hydrogen 2.820 N/A ASN 165.A N GLY 161.A O no hydrogen 3.019 N/A ASN 165.A ND2 ASP 119.A OD1 no hydrogen 2.847 N/A ASN 165.A ND2 ASP 119.A OD2 no hydrogen 3.237 N/A PHE 166.A N LEU 162.A O no hydrogen 2.813 N/A SER 167.A N ALA 163.A O no hydrogen 2.851 N/A SER 167.A OG.A ALA 163.A O no hydrogen 3.431 N/A SER 167.A OG.A LEU 164.A O no hydrogen 2.369 N/A SER 167.A OG.B ALA 180.A O no hydrogen 2.704 N/A VAL 168.A N LEU 164.A O no hydrogen 2.934 N/A PHE 169.A N ASN 165.A O no hydrogen 2.851 N/A HIS 170.A N PHE 166.A O no hydrogen 2.881 N/A TYR 171.A N SER 167.A O no hydrogen 2.851 N/A GLU 172.A N VAL 168.A O no hydrogen 2.620 N/A ILE 173.A N PHE 169.A O no hydrogen 2.784 N/A ALA 174.A N PHE 169.A O no hydrogen 2.904 N/A SER 176.A N HIS 170.A O no hydrogen 2.690 N/A SER 176.A OG ALA 174.A O no hydrogen 2.938 N/A ALA 180.A N SER 176.A O no hydrogen 2.980 N/A ILE 181.A N PRO 177.A O no hydrogen 2.840 N/A SER 182.A N GLU 178.A O no hydrogen 2.873 N/A LEU 183.A N GLU 179.A O no hydrogen 2.842 N/A ALA 184.A N ALA 180.A O no hydrogen 2.891 N/A LYS 185.A N ILE 181.A O no hydrogen 2.943 N/A THR 186.A N SER 182.A O no hydrogen 2.898 N/A THR 186.A OG1 SER 182.A O no hydrogen 3.086 N/A THR 187.A N LEU 183.A O no hydrogen 2.834 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.698 N/A PHE 188.A N ALA 184.A O no hydrogen 2.896 N/A ASP 189.A N LYS 185.A O no hydrogen 2.839 N/A GLU 190.A N THR 186.A O no hydrogen 2.931 N/A ALA 191.A N THR 187.A O no hydrogen 2.960 N/A MET 192.A N PHE 188.A O no hydrogen 2.775 N/A ALA 193.A N ASP 189.A O no hydrogen 3.124 N/A ASP 194.A N ALA 191.A O no hydrogen 2.791 N/A LEU 195.A N MET 192.A O no hydrogen 3.307 N/A THR 197.A N ASP 194.A O no hydrogen 3.068 N/A THR 197.A OG1 ASP 194.A O no hydrogen 2.674 N/A LEU 198.A N LEU 195.A O no hydrogen 2.880 N/A SER 199.A OG SER 202.A OG no hydrogen 3.300 N/A SER 202.A N SER 199.A OG no hydrogen 3.274 N/A SER 202.A OG SER 199.A OG no hydrogen 3.300 N/A TYR 203.A N SER 199.A O no hydrogen 2.708 N/A LYS 204.A N GLU 200.A O no hydrogen 2.857 N/A ASP 205.A N ASP 201.A O no hydrogen 2.950 N/A SER 206.A N SER 202.A O no hydrogen 2.900 N/A SER 206.A OG THR 155.A O no hydrogen 2.824 N/A SER 206.A OG SER 202.A O no hydrogen 3.069 N/A THR 207.A N TYR 203.A O no hydrogen 2.970 N/A THR 207.A OG1 TYR 203.A O no hydrogen 2.868 N/A THR 207.A OG1 LYS 204.A O no hydrogen 3.246 N/A LEU 208.A N.A LYS 204.A O no hydrogen 3.031 N/A LEU 208.A N.B LYS 204.A O no hydrogen 3.039 N/A MET 210.A N SER 206.A O no hydrogen 2.864 N/A GLN 211.A N THR 207.A O no hydrogen 2.993 N/A GLN 211.A NE2 ASP 215.A OD1 no hydrogen 2.751 N/A LEU 213.A N ILE 209.A O no hydrogen 3.361 N/A ARG 214.A N MET 210.A O no hydrogen 2.894 N/A ASP 215.A N GLN 211.A O no hydrogen 2.687 N/A ASN 216.A N LEU 212.A O no hydrogen 2.923 N/A LEU 217.A N LEU 213.A O no hydrogen 2.870 N/A THR 218.A N ARG 214.A O no hydrogen 2.870 N/A THR 218.A OG1 ARG 214.A O no hydrogen 2.948 N/A LEU 219.A N ASP 215.A O no hydrogen 3.000 N/A TRP 220.A N ASN 216.A O no hydrogen 2.801 N/A THR 221.A OG1 LEU 217.A O no hydrogen 2.572 N/A