Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3giu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N ASP 60.A OD2 no hydrogen 2.810 N/A HIS 1.A ND1 THR 33.A OG1.B no hydrogen 2.944 N/A ILE 2.A N THR 33.A O.A no hydrogen 2.928 N/A ILE 2.A N THR 33.A O.B no hydrogen 2.842 N/A LEU 3.A N VAL 61.A O no hydrogen 2.888 N/A VAL 4.A N ASP 35.A O no hydrogen 2.826 N/A THR 5.A N LEU 63.A O no hydrogen 3.064 N/A GLY 6.A N LEU 37.A O no hydrogen 3.071 N/A PHE 7.A N SER 18.A OG no hydrogen 3.019 N/A ALA 8.A N LEU 39.A O no hydrogen 2.947 N/A GLN 13.A N PHE 10.A O no hydrogen 3.106 N/A GLN 13.A NE2 GLN 170.A O no hydrogen 3.328 N/A ASN 16.A ND2 ALA 8.A O no hydrogen 3.001 N/A SER 18.A N ASN 16.A OD1 no hydrogen 2.934 N/A SER 18.A OG ASN 16.A OD1 no hydrogen 2.678 N/A SER 18.A OG ILE 65.A O no hydrogen 3.453 N/A GLU 20.A N ASN 16.A O no hydrogen 3.055 N/A ALA 21.A N PRO 17.A O no hydrogen 2.904 N/A VAL 22.A N SER 18.A O no hydrogen 3.007 N/A THR 23.A N TRP 19.A O no hydrogen 2.891 N/A THR 23.A OG1 GLU 20.A O no hydrogen 2.668 N/A GLN 24.A N ALA 21.A O no hydrogen 3.046 N/A GLN 24.A NE2.A THR 23.A OG1 no hydrogen 2.841 N/A LEU 25.A N VAL 22.A O no hydrogen 3.141 N/A ILE 29.A N.A HIS 32.A O.A no hydrogen 2.883 N/A ILE 29.A N.A HIS 32.A O.B no hydrogen 2.887 N/A ILE 29.A N.B HIS 32.A O.A no hydrogen 2.910 N/A ILE 29.A N.B HIS 32.A O.B no hydrogen 2.904 N/A THR 31.A OG1.B GLY 30.A O.A no hydrogen 2.648 N/A HIS 32.A N.A ILE 29.A O.A no hydrogen 2.712 N/A HIS 32.A N.A ILE 29.A O.B no hydrogen 2.711 N/A HIS 32.A N.B ILE 29.A O.A no hydrogen 2.847 N/A HIS 32.A N.B ILE 29.A O.B no hydrogen 2.911 N/A HIS 32.A ND1.A GLY 30.A O.A no hydrogen 2.545 N/A HIS 32.A ND1.B ILE 29.A O.A no hydrogen 2.566 N/A HIS 32.A ND1.B ILE 29.A O.B no hydrogen 2.765 N/A HIS 32.A NE2.B ILE 195.A O no hydrogen 2.653 N/A THR 33.A OG1.B HIS 1.A ND1 no hydrogen 2.944 N/A ILE 34.A N ASP 27.A O no hydrogen 2.849 N/A ASP 35.A N ILE 2.A O no hydrogen 2.901 N/A LYS 36.A NZ VAL 22.A O no hydrogen 3.150 N/A LYS 36.A NZ THR 23.A O no hydrogen 2.921 N/A LYS 36.A NZ LEU 25.A O no hydrogen 2.707 N/A LEU 37.A N VAL 4.A O no hydrogen 3.034 N/A LEU 39.A N GLY 6.A O no hydrogen 2.799 N/A THR 41.A OG1 ALA 8.A O no hydrogen 2.852 N/A SER 42.A OG ASP 92.A OD2 no hydrogen 2.574 N/A PHE 43.A N ASP 90.A OD2 no hydrogen 2.872 N/A LYS 45.A N SER 42.A OG no hydrogen 3.125 N/A LYS 45.A NZ ASP 92.A OD1 no hydrogen 3.060 N/A VAL 46.A N SER 42.A O no hydrogen 3.238 N/A ILE 49.A N LYS 45.A O no hydrogen 3.157 N/A ILE 50.A N VAL 46.A O no hydrogen 2.992 N/A ASN 51.A N ASP 47.A O no hydrogen 2.820 N/A LYS 52.A N ASN 48.A O.A no hydrogen 2.925 N/A LYS 52.A N ASN 48.A O.B no hydrogen 2.977 N/A THR 53.A N ILE 49.A O no hydrogen 2.921 N/A THR 53.A OG1 ILE 49.A O no hydrogen 2.692 N/A LEU 54.A N ILE 50.A O no hydrogen 2.975 N/A ALA 55.A N ASN 51.A O no hydrogen 3.035 N/A SER 56.A N LYS 52.A O no hydrogen 3.120 N/A SER 56.A N THR 53.A O no hydrogen 3.262 N/A SER 56.A OG.A LYS 52.A O no hydrogen 3.170 N/A SER 56.A OG.A THR 53.A O no hydrogen 3.222 N/A SER 56.A OG.B LYS 52.A O no hydrogen 2.841 N/A ASN 57.A ND2 THR 53.A O no hydrogen 2.924 N/A HIS 58.A NE2 ASP 60.A OD1 no hydrogen 2.950 N/A TYR 59.A OH ASP 35.A OD2 no hydrogen 2.632 N/A ASP 60.A N HIS 1.A O no hydrogen 2.829 N/A VAL 61.A N HIS 1.A O no hydrogen 3.326 N/A VAL 62.A N ARG 158.A O no hydrogen 2.957 N/A LEU 63.A N LEU 3.A O no hydrogen 2.838 N/A ALA 64.A N GLY 160.A O no hydrogen 3.014 N/A ILE 65.A N THR 5.A O no hydrogen 2.824 N/A GLY 66.A N ILE 162.A O no hydrogen 3.044 N/A ALA 68.A N VAL 164.A O no hydrogen 2.781 N/A ARG 71.A N ALA 68.A O no hydrogen 3.008 N/A ARG 71.A NH1 THR 75.A OG1 no hydrogen 2.881 N/A ARG 71.A NH1 GLU 77.A OE2 no hydrogen 2.842 N/A ARG 71.A NH2 SER 133.A O no hydrogen 2.857 N/A ILE 74.A N PRO 127.A O no hydrogen 2.980 N/A THR 75.A N HIS 163.A O no hydrogen 2.894 N/A GLU 77.A N PHE 161.A O no hydrogen 2.862 N/A ARG 78.A N SER 131.A O no hydrogen 2.842 N/A ARG 78.A NE ASN 132.A OD1 no hydrogen 2.629 N/A ARG 78.A NH2 ASN 132.A OD1 no hydrogen 3.307 N/A ALA 80.A N TYR 109.A O no hydrogen 2.901 N/A ILE 81.A N ASN 140.A OD1 no hydrogen 3.020 N/A ASN 82.A N PRO 107.A O no hydrogen 2.929 N/A ASN 82.A ND2 HIS 102.A O no hydrogen 2.960 N/A ILE 83.A N ILE 81.A O no hydrogen 2.866 N/A ASP 84.A N GLN 99.A O no hydrogen 2.825 N/A ASP 85.A N THR 136.A O no hydrogen 2.847 N/A ALA 86.A N PRO 96.A O no hydrogen 2.787 N/A ASP 90.A N PHE 94.A O no hydrogen 2.884 N/A ASN 91.A N THR 41.A O no hydrogen 2.970 N/A ASN 91.A ND2 PRO 9.A O no hydrogen 2.765 N/A ASP 92.A N ASP 90.A OD1 no hydrogen 2.819 N/A ASP 93.A N ASP 90.A O no hydrogen 2.956 N/A PHE 94.A N ASP 90.A OD1 no hydrogen 2.998 N/A GLN 95.A NE2 ALA 86.A O no hydrogen 3.024 N/A GLN 99.A N ASP 84.A O no hydrogen 3.062 N/A GLN 99.A NE2.A ILE 97.A O no hydrogen 2.971 N/A ILE 101.A N ASN 82.A OD1 no hydrogen 2.875 N/A HIS 102.A N ASN 82.A OD1 no hydrogen 2.975 N/A HIS 102.A NE2 HIS 145.A ND1 no hydrogen 2.795 N/A GLY 105.A N HIS 102.A O no hydrogen 2.962 N/A ALA 106.A N TYR 109.A OH no hydrogen 3.048 N/A TYR 109.A N ALA 80.A O no hydrogen 2.910 N/A TYR 109.A OH ASP 151.A OD2 no hydrogen 2.597 N/A SER 111.A N ARG 78.A O no hydrogen 2.920 N/A SER 111.A OG PHE 159.A O no hydrogen 2.675 N/A ASN 112.A ND2 LEU 157.A O no hydrogen 2.921 N/A LEU 113.A N SER 111.A OG no hydrogen 3.301 N/A LYS 116.A N ASP 200.A OD2 no hydrogen 2.880 N/A LYS 116.A NZ LEU 203.A O no hydrogen 2.802 N/A ALA 117.A N ASP 200.A OD1 no hydrogen 2.843 N/A THR 118.A OG1 VAL 115.A O no hydrogen 2.783 N/A GLN 119.A N LYS 116.A O no hydrogen 2.846 N/A GLN 119.A NE2 ASN 123.A OD1 no hydrogen 3.039 N/A SER 120.A N ALA 117.A O no hydrogen 2.920 N/A SER 120.A OG.A ALA 117.A O no hydrogen 2.900 N/A SER 120.A OG.B ALA 190.A O no hydrogen 2.847 N/A ILE 122.A N THR 118.A O no hydrogen 3.109 N/A ASN 123.A N GLN 119.A O no hydrogen 2.729 N/A GLN 124.A N ILE 121.A O no hydrogen 3.046 N/A GLY 125.A N ILE 122.A O no hydrogen 2.870 N/A LEU 126.A N ILE 121.A O no hydrogen 3.368 N/A ALA 129.A N ILE 74.A O no hydrogen 3.168 N/A SER 131.A N PRO 76.A O no hydrogen 2.913 N/A SER 131.A OG GLU 77.A OE1 no hydrogen 2.676 N/A SER 131.A OG GLU 77.A OE2 no hydrogen 3.255 N/A SER 133.A N SER 131.A OG no hydrogen 3.319 N/A GLY 135.A N SER 133.A OG no hydrogen 3.032 N/A THR 136.A OG1 ASP 85.A O no hydrogen 2.730 N/A CYS 139.A SG.A HIS 163.A NE2 no hydrogen 3.383 N/A CYS 139.A SG.B HIS 163.A NE2 no hydrogen 3.389 N/A ASN 140.A ND2 ILE 81.A O no hydrogen 2.944 N/A HIS 141.A N PHE 137.A O no hydrogen 3.170 N/A HIS 141.A ND1 ASP 84.A OD1 no hydrogen 2.801 N/A HIS 141.A ND1 ASP 84.A OD2 no hydrogen 3.007 N/A HIS 141.A NE2 ASP 47.A OD2 no hydrogen 2.958 N/A THR 142.A N VAL 138.A O no hydrogen 2.930 N/A THR 142.A OG1 VAL 138.A O no hydrogen 2.888 N/A LEU 143.A N CYS 139.A O.A no hydrogen 3.100 N/A LEU 143.A N CYS 139.A O.B no hydrogen 3.006 N/A TYR 144.A N ASN 140.A O no hydrogen 2.773 N/A TYR 144.A OH ALA 106.A O no hydrogen 2.651 N/A HIS 145.A N HIS 141.A O no hydrogen 2.868 N/A HIS 145.A ND1 HIS 102.A NE2 no hydrogen 2.795 N/A HIS 145.A NE2 ASN 51.A OD1 no hydrogen 2.845 N/A LEU 146.A N THR 142.A O no hydrogen 2.950 N/A GLY 147.A N LEU 143.A O no hydrogen 3.006 N/A TYR 148.A N TYR 144.A O no hydrogen 2.859 N/A TYR 148.A OH ASP 104.A OD1 no hydrogen 3.002 N/A TYR 148.A OH ASP 104.A OD2 no hydrogen 2.592 N/A LEU 149.A N HIS 145.A O no hydrogen 2.874 N/A GLN 150.A N LEU 146.A O no hydrogen 2.995 N/A GLN 150.A NE2 PRO 155.A O no hydrogen 2.745 N/A ASP 151.A N GLY 147.A O no hydrogen 2.970 N/A LYS 152.A N TYR 148.A O no hydrogen 2.887 N/A LYS 152.A NZ ASP 104.A O no hydrogen 3.448 N/A HIS 153.A N LEU 149.A O no hydrogen 2.801 N/A TYR 154.A N LEU 149.A O no hydrogen 2.831 N/A LEU 157.A N TYR 154.A O no hydrogen 3.027 N/A ARG 158.A N ASP 60.A O no hydrogen 3.116 N/A ARG 158.A NE ASN 197.A OD1 no hydrogen 2.697 N/A ARG 158.A NH1 ASN 112.A O no hydrogen 2.913 N/A PHE 159.A N ASN 112.A OD1 no hydrogen 2.869 N/A GLY 160.A N VAL 62.A O no hydrogen 3.065 N/A ILE 162.A N ALA 64.A O no hydrogen 2.887 N/A HIS 163.A N THR 75.A O no hydrogen 2.986 N/A HIS 163.A ND1 GLU 77.A OE2 no hydrogen 2.626 N/A VAL 164.A N GLY 66.A O no hydrogen 2.854 N/A ILE 167.A N GLN 170.A OE1 no hydrogen 2.960 N/A GLU 169.A N GLU 169.A OE1.B no hydrogen 2.726 N/A GLN 170.A N ILE 167.A O no hydrogen 2.880 N/A GLN 170.A NE2 GLN 13.A OE1 no hydrogen 3.121 N/A GLN 170.A NE2 GLN 67.A OE1 no hydrogen 2.979 N/A VAL 171.A N PRO 168.A O no hydrogen 3.263 N/A LYS 174.A N VAL 171.A O no hydrogen 3.194 N/A THR 177.A N LYS 174.A O no hydrogen 3.297 N/A THR 177.A OG1 LYS 174.A O no hydrogen 3.035 N/A THR 177.A OG1 PRO 175.A O no hydrogen 3.304 N/A LYS 183.A N.A PRO 180.A O no hydrogen 3.017 N/A LYS 183.A N.B PRO 180.A O no hydrogen 3.013 N/A ILE 184.A N PRO 180.A O no hydrogen 3.243 N/A VAL 185.A N LEU 181.A O no hydrogen 2.907 N/A ALA 186.A N GLU 182.A O no hydrogen 3.015 N/A GLY 187.A N LYS 183.A O.A no hydrogen 2.876 N/A GLY 187.A N LYS 183.A O.B no hydrogen 2.961 N/A LEU 188.A N ILE 184.A O no hydrogen 2.863 N/A THR 189.A N VAL 185.A O no hydrogen 2.946 N/A THR 189.A OG1 VAL 185.A O no hydrogen 2.821 N/A ALA 190.A N ALA 186.A O no hydrogen 3.010 N/A ALA 191.A N GLY 187.A O no hydrogen 2.930 N/A ILE 192.A N LEU 188.A O no hydrogen 2.950 N/A GLU 193.A N THR 189.A O no hydrogen 2.986 N/A ALA 194.A N ALA 190.A O no hydrogen 3.261 N/A ALA 194.A N ALA 191.A O no hydrogen 3.142 N/A ILE 195.A N ILE 192.A O no hydrogen 3.019 N/A SER 196.A OG ASP 198.A OD2 no hydrogen 3.297 N/A ASP 198.A N SER 196.A OG no hydrogen 3.061 N/A LEU 201.A N.A ASP 200.A OD1 no hydrogen 2.841 N/A HIS 202.A NE2 GLU 199.A OE2 no hydrogen 2.728 N/A LEU 203.A N LEU 201.A O.A no hydrogen 2.909 N/A LEU 205.A N LEU 203.A O no hydrogen 2.854 N/A THR 207.A OG1.A GLU 209.A OXT.B no hydrogen 2.958 N/A THR 207.A OG1.B GLU 209.A OXT.B no hydrogen 3.058 N/A THR 208.A OG1.B GLU 209.A OE1.B no hydrogen 2.418 N/A THR 208.A OG1.B GLU 209.A OE2.B no hydrogen 3.093 N/A