Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5dub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N SER 23.A O no hydrogen 2.900 N/A GLU 3.A N THR 21.A O no hydrogen 3.016 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.790 N/A SER 5.A N THR 19.A O no hydrogen 2.873 N/A GLY 7.A N THR 111.A OG1 no hydrogen 2.942 N/A ARG 8.A NH1 LEU 9.A O no hydrogen 3.160 N/A VAL 10.A N THR 114.A O no hydrogen 2.881 N/A THR 11.A OG1 THR 14.A OG1 no hydrogen 2.839 N/A GLY 13.A N PRO 81A.A O no hydrogen 2.746 N/A THR 14.A N THR 11.A O no hydrogen 3.150 N/A THR 14.A OG1 THR 11.A O no hydrogen 3.484 N/A THR 14.A OG1 THR 11.A OG1 no hydrogen 2.839 N/A LEU 16.A N ILE 78.A O no hydrogen 3.168 N/A LEU 18.A N LEU 76.A O no hydrogen 2.717 N/A THR 19.A N SER 5.A O no hydrogen 3.002 N/A CYS 20.A N VAL 74.A O no hydrogen 2.673 N/A THR 21.A N GLU 3.A O no hydrogen 2.921 N/A VAL 22.A N THR 72.A O no hydrogen 2.794 N/A SER 23.A N SER 1.A O no hydrogen 2.842 N/A SER 28.A N SER 26.A OG no hydrogen 2.870 N/A THR 29.A N SER 26.A O no hydrogen 3.097 N/A TYR 30.A N SER 26.A O no hydrogen 2.996 N/A THR 31.A N ASP 94.A O no hydrogen 3.013 N/A MET 32.A N ILE 49.A O no hydrogen 3.161 N/A ASN 33.A N ALA 92.A O no hydrogen 2.854 N/A ASN 33.A ND2 ALA 92.A O no hydrogen 3.382 N/A ASN 33.A ND2 ASP 94.A OD1 no hydrogen 2.981 N/A TRP 34.A N GLY 47.A O no hydrogen 2.895 N/A VAL 35.A N PHE 90.A O no hydrogen 2.888 N/A ARG 36.A N GLU 44.A O no hydrogen 2.898 N/A ARG 36.A NE GLU 44.A OE1 no hydrogen 2.992 N/A ARG 36.A NH1 ASP 85.A OD1 no hydrogen 2.973 N/A ARG 36.A NH1 TYR 89.A OH no hydrogen 3.102 N/A ARG 36.A NH2 GLU 44.A OE1 no hydrogen 3.339 N/A GLN 37.A N THR 88.A O no hydrogen 2.882 N/A GLN 37.A NE2 LYS 41.A O no hydrogen 2.865 N/A LYS 41.A N ALA 38.A O no hydrogen 2.861 N/A GLU 44.A N ARG 36.A O no hydrogen 2.793 N/A TRP 45.A NE1 ASN 33.A OD1 no hydrogen 3.074 N/A ILE 46.A N TRP 34.A O no hydrogen 2.801 N/A GLY 47.A N TRP 34.A O no hydrogen 3.450 N/A ASP 48.A N TYR 56.A O no hydrogen 2.844 N/A ILE 49.A N MET 32.A O no hydrogen 2.873 N/A TYR 50.A N ASN 54.A O no hydrogen 2.920 N/A GLY 53.A N TYR 50.A O no hydrogen 2.816 N/A ASN 54.A N ASP 52.A OD1 no hydrogen 2.993 N/A TYR 56.A N ASP 48.A O no hydrogen 3.054 N/A ALA 58.A N ILE 46.A O no hydrogen 2.872 N/A ALA 61.A N ALA 58.A O no hydrogen 2.838 N/A LYS 62.A N ASN 59.A O no hydrogen 3.485 N/A LYS 62.A NZ TYR 57.A O no hydrogen 2.695 N/A LYS 62.A NZ ASN 59.A OD1 no hydrogen 3.073 N/A ARG 64.A N ALA 61.A O no hydrogen 2.880 N/A ARG 64.A NH2 ASP 85.A OD2 no hydrogen 3.565 N/A THR 66.A N LYS 77.A O no hydrogen 2.884 N/A ILE 67.A N TYR 57.A OH no hydrogen 2.816 N/A SER 68.A N ASP 75.A O no hydrogen 3.219 N/A LYS 69.A NZ LEU 27.A O no hydrogen 2.813 N/A LYS 69.A NZ TYR 50.A O no hydrogen 3.248 N/A LYS 69.A NZ THR 51.A O no hydrogen 2.932 N/A THR 70.A N THR 73.A O no hydrogen 2.868 N/A THR 70.A OG1 THR 73.A OG1 no hydrogen 2.971 N/A THR 72.A N THR 70.A OG1 no hydrogen 3.365 N/A THR 73.A N THR 70.A OG1 no hydrogen 3.300 N/A THR 73.A OG1 THR 70.A OG1 no hydrogen 2.971 N/A VAL 74.A N CYS 20.A O no hydrogen 2.791 N/A ASP 75.A N SER 68.A O no hydrogen 2.768 N/A LEU 76.A N LEU 18.A O no hydrogen 2.929 N/A LYS 77.A N THR 66.A O no hydrogen 2.786 N/A ILE 78.A N LEU 16.A O no hydrogen 2.724 N/A THR 79.A N ARG 64.A O no hydrogen 3.092 N/A THR 82.A N ASP 85.A OD2 no hydrogen 2.809 N/A THR 82.A OG1 GLU 84.A OE1 no hydrogen 2.877 N/A THR 83.A OG1 GLU 84.A OE1 no hydrogen 3.428 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 2.762 N/A ASP 85.A N THR 82.A O no hydrogen 2.826 N/A THR 86.A N THR 83.A O no hydrogen 3.193 N/A THR 86.A OG1 THR 83.A O no hydrogen 3.343 N/A ALA 87.A N VAL 113.A O no hydrogen 2.963 N/A THR 88.A N GLN 37.A O no hydrogen 3.026 N/A TYR 89.A N THR 111.A O no hydrogen 2.814 N/A TYR 89.A OH ASP 85.A O no hydrogen 2.647 N/A PHE 90.A N VAL 35.A O no hydrogen 2.610 N/A CYS 91.A N GLU 4.A OE2 no hydrogen 2.837 N/A CYS 91.A SG.A GLU 4.A OE2 no hydrogen 3.728 N/A ALA 92.A N ASN 33.A O no hydrogen 2.932 N/A ARG 93.A N LEU 106.A O no hydrogen 2.981 N/A ARG 93.A NE ASP 105.A OD1 no hydrogen 2.894 N/A ARG 93.A NH2 ASP 105.A OD2 no hydrogen 3.043 N/A ASP 94.A N THR 31.A O no hydrogen 2.948 N/A ASP 97.A N SER 100A.A O no hydrogen 2.697 N/A ASP 105.A N ARG 93.A O no hydrogen 3.266 N/A TRP 107.A NE1 LEU 104E.A O no hydrogen 2.921 N/A GLY 108.A N CYS 91.A O no hydrogen 3.110 N/A GLY 110.A N GLU 4.A OE1 no hydrogen 2.687 N/A THR 111.A N TYR 89.A O no hydrogen 2.874 N/A VAL 113.A N ALA 87.A O no hydrogen 2.900 N/A THR 114.A N ARG 8.A O no hydrogen 3.088 N/A VAL 115.A N THR 86.A OG1 no hydrogen 2.838 N/A SER 116.A N VAL 10.A O no hydrogen 2.980 N/A GLY 118.A N SER 116.A OG no hydrogen 2.894 N/A LYS 121.A N LEU 146.A O no hydrogen 2.787 N/A LYS 121.A NZ GLY 144.A O no hydrogen 2.587 N/A SER 124.A N LYS 143.A O no hydrogen 2.786 N/A PHE 126.A N LEU 141.A O no hydrogen 2.882 N/A LEU 128.A N GLY 139.A O no hydrogen 2.821 N/A CYS 132.A SG PRO 208.A O no hydrogen 3.805 N/A VAL 136.A N VAL 184.A O no hydrogen 2.859 N/A LEU 138.A N VAL 182.A O no hydrogen 2.833 N/A GLY 139.A N LEU 128.A O no hydrogen 2.848 N/A CYS 140.A N SER 180.A O no hydrogen 2.886 N/A LEU 141.A N PHE 126.A O no hydrogen 2.788 N/A VAL 142.A N LEU 178.A O no hydrogen 2.682 N/A LYS 143.A N SER 124.A O no hydrogen 2.852 N/A GLY 144.A N TYR 176.A O no hydrogen 2.904 N/A TYR 145.A N TYR 176.A O no hydrogen 3.211 N/A LEU 146.A N LYS 121.A O no hydrogen 2.998 N/A THR 151.A N ALA 194.A O no hydrogen 3.012 N/A THR 153.A N ASN 192.A O no hydrogen 2.900 N/A THR 153.A OG1 ASN 192.A OD1 no hydrogen 2.808 N/A TRP 154.A NE1 SER 180.A OG no hydrogen 2.994 N/A ASN 155.A N THR 190.A O no hydrogen 2.801 N/A ASN 155.A ND2 PRO 188.A O no hydrogen 3.234 N/A SER 156.A N ASN 192.A OD1 no hydrogen 2.798 N/A GLY 157.A N TRP 154.A O no hydrogen 3.055 N/A THR 158.A N ASN 155.A O no hydrogen 3.036 N/A THR 158.A OG1 ASN 155.A O no hydrogen 2.704 N/A LEU 159.A N TRP 154.A O no hydrogen 3.221 N/A VAL 163.A N THR 160.A O no hydrogen 3.372 N/A ARG 164.A N VAL 181.A O no hydrogen 2.836 N/A THR 165.A OG1 SER 180.A OG no hydrogen 2.852 N/A PHE 166.A N SER 179.A O no hydrogen 3.024 N/A SER 168.A OG GLU 148.A OE2 no hydrogen 2.398 N/A VAL 169.A N SER 177.A O no hydrogen 2.784 N/A GLN 171.A N LEU 175.A O no hydrogen 2.573 N/A GLY 174.A N GLN 171.A O no hydrogen 2.771 N/A LEU 175.A N SER 173.A OG no hydrogen 3.114 N/A TYR 176.A N TYR 145.A O no hydrogen 2.897 N/A SER 177.A N VAL 169.A O no hydrogen 2.961 N/A LEU 178.A N VAL 142.A O no hydrogen 2.779 N/A SER 180.A N CYS 140.A O no hydrogen 3.080 N/A SER 180.A OG THR 165.A OG1 no hydrogen 2.852 N/A VAL 181.A N ARG 164.A O no hydrogen 2.836 N/A VAL 182.A N LEU 138.A O no hydrogen 2.755 N/A SER 183.A N GLY 162.A O no hydrogen 3.330 N/A VAL 184.A N VAL 136.A O no hydrogen 2.763 N/A SER 186.A N SER 134.A O no hydrogen 3.289 N/A SER 187.A N THR 185.A O no hydrogen 2.625 N/A SER 187.A OG THR 185.A O no hydrogen 3.448 N/A THR 190.A N ASN 155.A OD1 no hydrogen 2.821 N/A THR 190.A OG1 THR 205.A OG1 no hydrogen 2.587 N/A CYS 191.A N LYS 204.A O no hydrogen 2.983 N/A CYS 191.A SG LYS 204.A O no hydrogen 3.841 N/A ASN 192.A N THR 153.A O no hydrogen 2.754 N/A ASN 192.A ND2 ASP 203.A OD1 no hydrogen 2.973 N/A VAL 193.A N VAL 202.A O no hydrogen 2.754 N/A ALA 194.A N THR 151.A O no hydrogen 2.951 N/A HIS 195.A N THR 200.A O no hydrogen 2.744 N/A HIS 195.A ND1 THR 198.A OG1 no hydrogen 2.728 N/A HIS 195.A NE2 PRO 147.A O no hydrogen 2.700 N/A THR 198.A N HIS 195.A O no hydrogen 3.049 N/A THR 198.A OG1 HIS 195.A ND1 no hydrogen 2.728 N/A THR 198.A OG1 HIS 195.A O no hydrogen 3.452 N/A ASN 199.A N PRO 196.A O no hydrogen 3.026 N/A THR 200.A N HIS 195.A O no hydrogen 3.231 N/A THR 200.A OG1 THR 198.A O no hydrogen 3.065 N/A VAL 202.A N VAL 193.A O no hydrogen 2.753 N/A LYS 204.A N CYS 191.A O no hydrogen 2.910 N/A THR 205.A OG1 THR 190.A OG1 no hydrogen 2.587 N/A VAL 206.A N VAL 189.A O no hydrogen 2.759 N/A TYR 101B.A OH ASP 94.A OD2 no hydrogen 2.956 N/A TYR 102C.A N SER 95.A O no hydrogen 3.047 N/A TYR 102C.A OH ASP 97.A OD2 no hydrogen 3.285 N/A