Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aci_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1.B HIS 41.A O no hydrogen 3.421 N/A GLN 4.A NE2 GLU 8.A OE2 no hydrogen 3.408 N/A GLU 5.A N ASN 1.A O no hydrogen 2.762 N/A ILE 6.A N SER 2.A O no hydrogen 2.954 N/A LEU 7.A N ARG 3.A O no hydrogen 2.919 N/A GLU 8.A N GLN 4.A O no hydrogen 2.954 N/A GLY 9.A N GLU 5.A O no hydrogen 3.101 N/A ALA 10.A N ILE 6.A O no hydrogen 2.864 N/A ARG 11.A N LEU 7.A O no hydrogen 3.043 N/A ARG 11.A NH1 ASP 56.A OD1 no hydrogen 2.770 N/A ARG 11.A NH2 LEU 52.A O no hydrogen 3.228 N/A ARG 11.A NH2 GLU 55.A OE1 no hydrogen 2.960 N/A ARG 11.A NH2 ASP 56.A OD1 no hydrogen 3.098 N/A ARG 12.A N GLU 8.A O no hydrogen 3.408 N/A CYS 13.A N GLY 9.A O no hydrogen 2.946 N/A PHE 14.A N ALA 10.A O no hydrogen 2.889 N/A ALA 15.A N ARG 11.A O no hydrogen 2.994 N/A GLU 16.A N ARG 12.A O no hydrogen 2.852 N/A HIS 17.A N CYS 13.A O no hydrogen 2.971 N/A GLY 18.A N PHE 14.A O no hydrogen 2.792 N/A TYR 19.A N GLU 91.A OE2 no hydrogen 2.855 N/A ALA 22.A N GLY 18.A O no hydrogen 3.086 N/A ALA 22.A N TYR 19.A O no hydrogen 3.316 N/A ARG 25.A NE GLU 29.A OE2 no hydrogen 2.653 N/A ARG 25.A NH2 GLU 29.A OE2 no hydrogen 3.408 N/A ARG 26.A N THR 23.A OG1 no hydrogen 3.056 N/A ARG 26.A NH1 GLY 21.A O no hydrogen 2.846 N/A LEU 27.A N THR 23.A O no hydrogen 2.805 N/A GLU 28.A N VAL 24.A O no hydrogen 2.902 N/A GLU 29.A N ARG 25.A O no hydrogen 2.997 N/A ALA 30.A N ARG 26.A O no hydrogen 2.902 N/A THR 31.A N LEU 27.A O no hydrogen 3.160 N/A THR 31.A N GLU 28.A O no hydrogen 3.149 N/A THR 31.A OG1 LEU 27.A O no hydrogen 2.795 N/A THR 31.A OG1 GLU 28.A O no hydrogen 3.356 N/A GLY 32.A N GLU 28.A O no hydrogen 2.723 N/A LYS 33.A N THR 31.A OG1 no hydrogen 3.220 N/A LYS 33.A NZ GLU 5.A OE1 no hydrogen 3.069 N/A ARG 35.A N GLU 28.A OE2 no hydrogen 2.789 N/A ARG 35.A NE GLU 28.A OE2 no hydrogen 3.153 N/A ARG 35.A NH2 GLU 28.A OE1 no hydrogen 3.050 N/A ALA 37.A N SER 34.A OG no hydrogen 2.888 N/A ILE 38.A N SER 34.A O no hydrogen 3.014 N/A PHE 39.A N ARG 35.A O no hydrogen 2.903 N/A HIS 40.A N GLY 36.A O no hydrogen 2.882 N/A HIS 41.A N ALA 37.A O no hydrogen 3.020 N/A HIS 41.A ND1 ALA 37.A O no hydrogen 2.940 N/A PHE 42.A N ILE 38.A O no hydrogen 2.988 N/A GLY 43.A N PHE 39.A O no hydrogen 2.660 N/A LYS 45.A NZ TYR 19.A O no hydrogen 2.728 N/A LYS 45.A NZ ALA 22.A O no hydrogen 2.915 N/A ASN 47.A N ASP 44.A OD1 no hydrogen 2.846 N/A ASN 47.A ND2 PHE 42.A O no hydrogen 3.043 N/A LEU 48.A N ASP 44.A O no hydrogen 3.130 N/A PHE 49.A N LYS 45.A O no hydrogen 2.914 N/A LEU 50.A N GLU 46.A O no hydrogen 2.817 N/A ALA 51.A N ASN 47.A O no hydrogen 2.844 N/A LEU 52.A N LEU 48.A O no hydrogen 3.151 N/A ALA 53.A N PHE 49.A O no hydrogen 2.985 N/A ARG 54.A N LEU 50.A O no hydrogen 2.858 N/A GLU 55.A N ALA 51.A O no hydrogen 2.935 N/A ASP 56.A N LEU 52.A O no hydrogen 2.950 N/A ALA 57.A N ALA 53.A O no hydrogen 2.919 N/A ALA 58.A N ARG 54.A O no hydrogen 2.866 N/A ARG 59.A N GLU 55.A O no hydrogen 3.019 N/A MET 60.A N ASP 56.A O no hydrogen 2.831 N/A ALA 61.A N ALA 57.A O no hydrogen 2.805 N/A GLU 62.A N ALA 58.A O no hydrogen 3.106 N/A VAL 63.A N ARG 59.A O no hydrogen 3.151 N/A VAL 64.A N MET 60.A O no hydrogen 2.797 N/A SER 65.A N ALA 61.A O no hydrogen 3.022 N/A SER 65.A OG GLU 62.A O no hydrogen 2.697 N/A GLU 66.A N GLU 62.A O no hydrogen 3.266 N/A GLU 66.A N VAL 63.A O no hydrogen 3.070 N/A ASN 67.A N VAL 63.A O no hydrogen 2.826 N/A ASN 67.A ND2 GLU 71.A OE1 no hydrogen 2.885 N/A GLY 68.A N VAL 64.A O no hydrogen 2.844 N/A GLU 71.A N GLY 68.A O no hydrogen 3.163 N/A VAL 72.A N GLY 68.A O no hydrogen 3.384 N/A MET 73.A N LEU 69.A O no hydrogen 2.992 N/A ARG 74.A N VAL 70.A O no hydrogen 2.877 N/A ARG 74.A NH1 SER 164.A O no hydrogen 3.415 N/A ARG 74.A NH2 ASP 168.A OD1 no hydrogen 2.794 N/A ARG 74.A NH2 GLU 171.A OE1 no hydrogen 3.434 N/A GLY 75.A N GLU 71.A O no hydrogen 3.012 N/A MET 76.A N VAL 72.A O no hydrogen 3.008 N/A LEU 77.A N MET 73.A O no hydrogen 3.270 N/A LEU 77.A N ARG 74.A O no hydrogen 3.177 N/A GLU 78.A N ARG 74.A O no hydrogen 3.279 N/A GLU 78.A N GLY 75.A O no hydrogen 3.052 N/A ASP 79.A N MET 76.A O no hydrogen 3.347 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.824 N/A ARG 82.A N ASP 79.A O no hydrogen 2.937 N/A TYR 83.A N PRO 80.A O no hydrogen 3.174 N/A TYR 83.A OH.B MET 76.A O no hydrogen 2.878 N/A TRP 85.A NE1 ASP 56.A OD2 no hydrogen 2.790 N/A MET 86.A N ARG 82.A O no hydrogen 3.066 N/A SER 87.A N TYR 83.A O no hydrogen 2.917 N/A SER 87.A OG TYR 83.A O no hydrogen 3.422 N/A VAL 88.A N ASP 84.A O no hydrogen 3.187 N/A ARG 89.A N TRP 85.A O no hydrogen 3.022 N/A ARG 89.A NH1 ASP 56.A OD2 no hydrogen 2.824 N/A LEU 90.A N MET 86.A O no hydrogen 3.149 N/A GLU 91.A N SER 87.A O no hydrogen 3.213 N/A GLU 91.A N VAL 88.A O no hydrogen 3.036 N/A ILE 92.A N ARG 89.A O no hydrogen 3.401 N/A SER 93.A N LEU 90.A O no hydrogen 3.148 N/A SER 93.A OG LEU 90.A O no hydrogen 2.672 N/A GLN 95.A NE2 ASP 99.A OD2 no hydrogen 3.052 N/A LEU 96.A N ILE 92.A O no hydrogen 3.068 N/A ARG 97.A N SER 93.A O no hydrogen 3.263 N/A ARG 97.A N LYS 94.A O no hydrogen 3.035 N/A THR 98.A N LYS 94.A O no hydrogen 2.932 N/A THR 98.A OG1 LYS 94.A O no hydrogen 3.059 N/A ASP 99.A N GLN 95.A O no hydrogen 2.915 N/A PHE 102.A N ASP 99.A OD1 no hydrogen 3.029 N/A ARG 103.A N ASP 99.A O no hydrogen 2.839 N/A ARG 103.A NH1.A ARG 97.A O no hydrogen 3.364 N/A ARG 103.A NH1.B LEU 96.A O no hydrogen 2.941 N/A ALA 104.A N PRO 100.A O no hydrogen 3.083 N/A LYS 105.A N VAL 101.A O no hydrogen 3.104 N/A TRP 106.A N PHE 102.A O no hydrogen 2.709 N/A ILE 107.A N ARG 103.A O no hydrogen 2.898 N/A ASP 108.A N ALA 104.A O no hydrogen 2.933 N/A HIS 109.A N LYS 105.A O no hydrogen 2.877 N/A HIS 109.A ND1 LYS 105.A O no hydrogen 2.780 N/A GLN 110.A N TRP 106.A O no hydrogen 3.110 N/A GLN 110.A N ILE 107.A O no hydrogen 3.044 N/A SER 111.A N ASP 108.A O no hydrogen 3.165 N/A SER 111.A OG ASP 108.A O no hydrogen 3.042 N/A ASP 114.A N.A GLN 110.A O no hydrogen 3.050 N/A ASP 114.A N.B GLN 110.A O no hydrogen 3.046 N/A GLU 115.A N SER 111.A O no hydrogen 3.014 N/A ALA 116.A N VAL 112.A O no hydrogen 2.997 N/A VAL 117.A N LEU 113.A O no hydrogen 2.905 N/A ARG 118.A N ASP 114.A O.A no hydrogen 3.336 N/A ARG 118.A N ASP 114.A O.B no hydrogen 3.350 N/A ARG 118.A NE ASP 114.A OD2.A no hydrogen 3.024 N/A ARG 118.A NH2 GLU 137.A OE2 no hydrogen 3.471 N/A VAL 119.A N GLU 115.A O no hydrogen 2.846 N/A ARG 120.A N ALA 116.A O no hydrogen 2.922 N/A LEU 121.A N VAL 117.A O no hydrogen 2.962 N/A SER 122.A N ARG 118.A O no hydrogen 2.964 N/A SER 122.A OG ARG 118.A O no hydrogen 2.825 N/A ARG 123.A N VAL 119.A O no hydrogen 2.893 N/A ASN 124.A N ARG 120.A O no hydrogen 2.956 N/A VAL 125.A N LEU 121.A O no hydrogen 2.854 N/A ASP 126.A N SER 122.A O no hydrogen 2.830 N/A LYS 127.A N ARG 123.A O no hydrogen 3.084 N/A GLY 128.A N VAL 125.A O no hydrogen 2.890 N/A GLN 129.A N ASN 124.A O no hydrogen 2.999 N/A ARG 131.A N VAL 174.A O no hydrogen 2.961 N/A ARG 131.A NE ASP 133.A OD1 no hydrogen 2.759 N/A ARG 131.A NH1 THR 173.A O no hydrogen 2.934 N/A ARG 131.A NH2 ASP 133.A OD1 no hydrogen 3.517 N/A ARG 131.A NH2 ASP 133.A OD2 no hydrogen 2.862 N/A VAL 138.A N PRO 135.A O no hydrogen 2.809 N/A LEU 139.A N PRO 135.A O no hydrogen 3.132 N/A HIS 140.A N ILE 136.A O no hydrogen 2.801 N/A THR 141.A N GLU 137.A O no hydrogen 2.976 N/A THR 141.A OG1 GLU 137.A O no hydrogen 3.007 N/A PHE 142.A N VAL 138.A O no hydrogen 2.888 N/A LEU 143.A N LEU 139.A O no hydrogen 2.947 N/A GLU 144.A N HIS 140.A O no hydrogen 2.979 N/A THR 145.A N THR 141.A O no hydrogen 2.858 N/A THR 145.A OG1 THR 141.A O no hydrogen 2.690 N/A VAL 146.A N PHE 142.A O no hydrogen 2.967 N/A LEU 147.A N LEU 143.A O no hydrogen 2.922 N/A ASP 148.A N GLU 144.A O no hydrogen 2.916 N/A GLY 149.A N THR 145.A O no hydrogen 2.922 N/A PHE 150.A N VAL 146.A O no hydrogen 2.815 N/A ILE 151.A N LEU 147.A O no hydrogen 2.974 N/A SER 152.A N ASP 148.A O no hydrogen 3.006 N/A ARG 153.A N GLY 149.A O no hydrogen 2.903 N/A LEU 154.A N PHE 150.A O no hydrogen 2.970 N/A ALA 155.A N ILE 151.A O no hydrogen 2.918 N/A THR 156.A N SER 152.A O no hydrogen 2.944 N/A THR 156.A OG1 SER 152.A O no hydrogen 2.865 N/A THR 156.A OG1 ARG 153.A O no hydrogen 3.380 N/A GLY 157.A N LEU 154.A O no hydrogen 3.169 N/A ALA 158.A N ARG 153.A O no hydrogen 2.991 N/A THR 160.A N SER 159.A OG.B no hydrogen 2.340 N/A GLU 161.A N SER 159.A OG.A no hydrogen 3.179 N/A LEU 163.A N THR 160.A O no hydrogen 2.935 N/A GLU 165.A N GLU 165.A OE1.B no hydrogen 2.793 N/A VAL 166.A N GLY 162.A O no hydrogen 2.933 N/A LEU 167.A N LEU 163.A O no hydrogen 2.932 N/A ASP 168.A N SER 164.A O no hydrogen 3.002 N/A LEU 169.A N GLU 165.A O no hydrogen 3.073 N/A VAL 170.A N VAL 166.A O no hydrogen 2.904 N/A GLU 171.A N LEU 167.A O no hydrogen 2.903 N/A GLY 172.A N ASP 168.A O no hydrogen 2.953 N/A THR 173.A N LEU 169.A O no hydrogen 2.932 N/A THR 173.A OG1 LEU 169.A O no hydrogen 2.948 N/A ARG 175.A N GLY 172.A O no hydrogen 3.308 N/A LYS 176.A N GLN 129.A O no hydrogen 3.318 N/A