Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4alq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N HIS 1.A ND1 no hydrogen 2.983 N/A HIS 1.A N ALA 84.A O no hydrogen 3.170 N/A GLY 2.A N GLN 33.A O no hydrogen 3.086 N/A TYR 3.A N ASN 81.A O no hydrogen 2.975 N/A VAL 4.A N GLN 159.A OE1 no hydrogen 2.948 N/A ALA 5.A N THR 79.A O no hydrogen 2.806 N/A SER 6.A N THR 79.A O no hydrogen 3.338 N/A SER 9.A N VAL 4.A O no hydrogen 2.984 N/A SER 9.A OG VAL 4.A O no hydrogen 3.504 N/A SER 9.A OG GLN 159.A OE1 no hydrogen 2.657 N/A ARG 10.A N ALA 160.A O no hydrogen 2.897 N/A ARG 10.A NE ASP 162.A OD2 no hydrogen 2.816 N/A ARG 10.A NH1 LEU 58.A O no hydrogen 2.764 N/A ARG 10.A NH2 GLN 61.A OE1 no hydrogen 3.051 N/A ARG 10.A NH2 ASP 162.A OD1 no hydrogen 2.881 N/A PHE 12.A N SER 9.A OG no hydrogen 2.974 N/A PHE 13.A N SER 9.A O no hydrogen 2.903 N/A GLY 14.A N ALA 11.A O no hydrogen 2.946 N/A SER 15.A N PHE 12.A O no hydrogen 2.955 N/A SER 15.A OG PHE 12.A O no hydrogen 2.784 N/A GLY 18.A N SER 15.A OG no hydrogen 3.372 N/A GLY 19.A N SER 16.A O no hydrogen 2.938 N/A ASN 20.A N SER 15.A O no hydrogen 2.984 N/A ASN 22.A N PHE 13.A O no hydrogen 3.156 N/A ASN 22.A ND2 ARG 10.A O no hydrogen 3.002 N/A ASN 24.A ND2 THR 23.A OG1 no hydrogen 2.849 N/A ARG 27.A N GLY 54.A O no hydrogen 2.947 N/A ARG 27.A NE GLU 31.A OE2 no hydrogen 2.797 N/A ARG 27.A NH1 SER 53.A O no hydrogen 2.830 N/A ARG 27.A NH2 GLU 31.A OE1 no hydrogen 3.091 N/A ARG 27.A NH2 GLU 31.A OE2 no hydrogen 3.276 N/A ALA 28.A N VAL 25.A O no hydrogen 3.123 N/A GLN 29.A N GLY 26.A O no hydrogen 3.120 N/A TRP 30.A N ARG 27.A O no hydrogen 3.133 N/A GLU 31.A N ARG 27.A O no hydrogen 2.857 N/A GLN 33.A N GLN 33.A OE1 no hydrogen 2.870 N/A SER 34.A N GLU 31.A O no hydrogen 3.029 N/A SER 34.A OG GLU 31.A OE1 no hydrogen 2.782 N/A GLU 36.A N SER 34.A O no hydrogen 2.973 N/A ALA 37.A N ALA 156.A O no hydrogen 3.008 N/A LYS 39.A N VAL 154.A O no hydrogen 2.786 N/A LYS 39.A NZ.A ILE 150.A O no hydrogen 2.756 N/A LYS 39.A NZ.A THR 153.A O no hydrogen 2.806 N/A LYS 39.A NZ.A ASN 155.A O no hydrogen 2.812 N/A LYS 39.A NZ.B ILE 150.A O no hydrogen 2.809 N/A LYS 39.A NZ.B THR 153.A O no hydrogen 3.188 N/A THR 41.A N TYR 158.A OH no hydrogen 3.202 N/A THR 41.A OG1 PRO 38.A O no hydrogen 2.691 N/A GLY 45.A N LEU 106.A O no hydrogen 2.769 N/A LYS 46.A N ILE 43.A O no hydrogen 2.839 N/A SER 49.A N ASP 59.A OD1 no hydrogen 2.988 N/A SER 49.A OG ASP 59.A OD1 no hydrogen 3.384 N/A SER 49.A OG ASP 59.A OD2 no hydrogen 2.596 N/A ALA 50.A N LEU 47.A O no hydrogen 3.202 N/A GLY 51.A N SER 49.A OG no hydrogen 3.021 N/A VAL 52.A N SER 49.A O no hydrogen 2.929 N/A GLY 54.A N GLU 56.A OE2 no hydrogen 3.076 N/A PHE 55.A N VAL 52.A O no hydrogen 3.121 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.778 N/A LEU 58.A N PHE 55.A O no hydrogen 2.989 N/A ASP 59.A N GLU 56.A O no hydrogen 2.951 N/A GLU 60.A N PRO 57.A O no hydrogen 3.446 N/A GLN 61.A NE2 PRO 102.A O no hydrogen 3.017 N/A GLN 61.A NE2 TYR 141.A OH no hydrogen 3.081 N/A ALA 63.A N ASN 103.A OD1.A no hydrogen 2.929 N/A THR 64.A N THR 62.A OG1 no hydrogen 3.139 N/A ARG 65.A NE GLU 60.A OE1 no hydrogen 2.938 N/A ARG 65.A NH1 THR 23.A O no hydrogen 3.511 N/A ARG 65.A NH1 ARG 65.A O no hydrogen 3.230 N/A ARG 65.A NH2 THR 23.A O no hydrogen 2.817 N/A TRP 66.A NE1 GLU 60.A O no hydrogen 2.791 N/A HIS 67.A N ASN 22.A OD1 no hydrogen 2.823 N/A LYS 68.A NZ ALA 63.A O no hydrogen 2.737 N/A LYS 68.A NZ TRP 66.A O no hydrogen 2.808 N/A THR 69.A N ASP 162.A O no hydrogen 3.118 N/A ILE 71.A N ASN 164.A O no hydrogen 2.943 N/A THR 72.A OG1 THR 73.A O no hydrogen 3.221 N/A GLY 74.A N ILE 134.A O no hydrogen 2.885 N/A LEU 76.A N ILE 132.A O no hydrogen 2.744 N/A ILE 78.A N GLN 130.A O no hydrogen 2.741 N/A THR 79.A N SER 6.A O no hydrogen 2.797 N/A TRP 80.A N VAL 128.A O no hydrogen 2.861 N/A TRP 80.A NE1 TYR 93.A OH no hydrogen 2.931 N/A ASN 81.A N TYR 3.A O no hydrogen 2.847 N/A LEU 82.A N LYS 126.A O no hydrogen 2.769 N/A THR 83.A N HIS 1.A O no hydrogen 2.829 N/A THR 83.A OG1 HIS 1.A O no hydrogen 3.484 N/A ALA 84.A N HIS 1.A O no hydrogen 3.151 N/A GLN 85.A NE2 PRO 124.A O no hydrogen 2.806 N/A ARG 87.A NE.A GLN 121.A OE1 no hydrogen 3.163 N/A ARG 87.A NE.B GLN 121.A O no hydrogen 3.149 N/A THR 88.A N GLU 122.A O no hydrogen 2.889 N/A THR 88.A OG1 HIS 86.A O no hydrogen 2.860 N/A ALA 89.A N GLY 149.A O no hydrogen 2.837 N/A SER 90.A N GLY 149.A O no hydrogen 3.284 N/A TRP 91.A N ILE 117.A O no hydrogen 2.850 N/A ASP 92.A N VAL 147.A O no hydrogen 2.902 N/A TYR 93.A N ALA 115.A O no hydrogen 3.018 N/A TYR 93.A OH GLN 130.A OE1 no hydrogen 2.548 N/A TYR 94.A N TYR 145.A O no hydrogen 2.899 N/A ILE 95.A N ASP 112.A O no hydrogen 2.904 N/A THR 96.A N VAL 143.A O no hydrogen 3.065 N/A THR 96.A OG1 HIS 142.A ND1 no hydrogen 2.775 N/A LYS 97.A N ASN 110.A O no hydrogen 2.901 N/A LYS 97.A NZ LYS 109.A O no hydrogen 2.824 N/A TRP 100.A N LYS 97.A O no hydrogen 3.123 N/A TRP 100.A NE1 TYR 141.A O no hydrogen 2.847 N/A ASN 103.A N ASN 101.A OD1 no hydrogen 2.891 N/A GLN 104.A N ASN 101.A O no hydrogen 3.236 N/A LYS 109.A N ASP 107.A OD1 no hydrogen 2.953 N/A ASN 110.A N ASP 107.A O no hydrogen 2.887 N/A PHE 111.A N ILE 108.A O no hydrogen 3.069 N/A ASP 112.A N ILE 95.A O no hydrogen 2.884 N/A LYS 113.A NZ ASP 92.A OD1 no hydrogen 2.802 N/A ILE 114.A N TYR 93.A O no hydrogen 2.758 N/A ALA 115.A N TYR 93.A O no hydrogen 3.382 N/A SER 116.A OG ASP 92.A OD1 no hydrogen 2.824 N/A ILE 117.A N TRP 91.A O no hydrogen 2.802 N/A GLY 119.A N ALA 89.A O no hydrogen 2.920 N/A LYS 120.A N ASP 118.A OD1 no hydrogen 2.804 N/A GLN 121.A N THR 88.A O no hydrogen 2.983 N/A GLN 121.A NE2 GLY 151.A O no hydrogen 3.034 N/A GLU 122.A N GLY 119.A O no hydrogen 3.259 N/A LYS 126.A NZ.A LEU 82.A O no hydrogen 2.706 N/A LYS 126.A NZ.B GLN 85.A OE1 no hydrogen 3.171 N/A VAL 128.A N TRP 80.A O no hydrogen 3.028 N/A GLN 130.A N ILE 78.A O no hydrogen 2.875 N/A THR 131.A OG1 ASP 77.A OD1 no hydrogen 2.739 N/A ILE 132.A N LEU 76.A O no hydrogen 2.959 N/A ILE 134.A N GLY 74.A O no hydrogen 2.814 N/A ARG 138.A N PRO 135.A O no hydrogen 3.267 N/A ARG 138.A NE THR 96.A O no hydrogen 2.817 N/A ARG 138.A NH1 ASP 137.A OD1 no hydrogen 2.838 N/A ARG 138.A NH2 ILE 95.A O no hydrogen 3.462 N/A ARG 138.A NH2 THR 96.A O no hydrogen 3.329 N/A ARG 138.A NH2 ASP 112.A OD2 no hydrogen 2.877 N/A LYS 139.A NZ.A GLN 166.A OE1.A no hydrogen 2.789 N/A LYS 139.A NZ.B GLN 166.A OE1.A no hydrogen 2.525 N/A GLY 140.A N ILE 165.A O no hydrogen 2.749 N/A TYR 141.A OH ASP 162.A OD1 no hydrogen 2.708 N/A HIS 142.A N VAL 163.A O no hydrogen 2.933 N/A HIS 142.A ND1 THR 96.A OG1 no hydrogen 2.775 N/A VAL 143.A N THR 96.A OG1 no hydrogen 3.023 N/A ILE 144.A N ILE 161.A O no hydrogen 2.832 N/A TYR 145.A N TYR 94.A O no hydrogen 2.812 N/A TYR 145.A OH LEU 47.A O no hydrogen 2.640 N/A ALA 146.A N GLN 159.A O no hydrogen 2.920 N/A VAL 147.A N ASP 92.A O no hydrogen 2.812 N/A TRP 148.A N PHE 157.A O no hydrogen 2.912 N/A TRP 148.A NE1 THR 88.A OG1 no hydrogen 2.859 N/A GLY 149.A N SER 90.A O no hydrogen 2.848 N/A ILE 150.A N ASN 155.A O no hydrogen 3.019 N/A GLY 151.A N ARG 87.A O no hydrogen 2.686 N/A ASN 155.A N THR 153.A OG1 no hydrogen 3.052 N/A ASN 155.A ND2 GLU 36.A OE2 no hydrogen 2.917 N/A ALA 156.A N ALA 37.A O no hydrogen 2.796 N/A PHE 157.A N TRP 148.A O no hydrogen 2.860 N/A TYR 158.A N ILE 35.A O no hydrogen 3.028 N/A TYR 158.A OH PRO 38.A O no hydrogen 2.703 N/A GLN 159.A N ALA 146.A O no hydrogen 2.873 N/A GLN 159.A NE2 PRO 32.A O no hydrogen 3.371 N/A GLN 159.A NE2 TYR 158.A O no hydrogen 3.170 N/A ILE 161.A N ILE 144.A O no hydrogen 2.769 N/A VAL 163.A N HIS 142.A O no hydrogen 2.937 N/A ASN 164.A N THR 69.A O no hydrogen 2.873 N/A ILE 165.A N GLY 140.A O no hydrogen 2.861 N/A GLN 166.A N.A ILE 71.A O no hydrogen 2.881 N/A GLN 166.A N.B ILE 71.A O no hydrogen 2.893 N/A