Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ubg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ ALA 36.A O no hydrogen 3.205 N/A LYS 5.A NZ GLU 38.A OE2 no hydrogen 2.950 N/A ARG 7.A N ASP 11.A OD2 no hydrogen 3.006 N/A LEU 9.A N GLU 43.A OE1 no hydrogen 2.871 N/A ASP 11.A N THR 8.A OG1 no hydrogen 2.909 N/A LEU 12.A N THR 8.A O no hydrogen 2.841 N/A ILE 13.A N LEU 9.A O no hydrogen 2.925 N/A ARG 14.A N ALA 10.A O no hydrogen 3.055 N/A ARG 14.A NH1 GLU 18.A OE2 no hydrogen 2.990 N/A ARG 14.A NH2 ASP 11.A OD1 no hydrogen 2.728 N/A ILE 15.A N ASP 11.A O no hydrogen 2.981 N/A LEU 16.A N LEU 12.A O no hydrogen 2.830 N/A HIS 17.A N.A ILE 13.A O no hydrogen 2.935 N/A HIS 17.A N.B ILE 13.A O no hydrogen 2.940 N/A HIS 17.A ND1.B ASN 64.A OD1 no hydrogen 2.947 N/A HIS 17.A NE2.A ASP 61.A OD2 no hydrogen 2.770 N/A HIS 17.A NE2.B ASP 61.A OD2 no hydrogen 2.727 N/A GLU 18.A N ARG 14.A O no hydrogen 3.229 N/A GLU 18.A N ILE 15.A O no hydrogen 3.072 N/A LEU 19.A N ILE 15.A O no hydrogen 2.973 N/A PHE 20.A N LEU 16.A O no hydrogen 2.986 N/A ALA 21.A N GLU 18.A O no hydrogen 3.256 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.712 N/A GLU 29.A N ASN 26.A OD1 no hydrogen 3.236 N/A VAL 30.A N ASN 26.A O no hydrogen 2.999 N/A GLN 31.A N VAL 27.A O no hydrogen 2.964 N/A GLN 31.A NE2 CYS 127.A O no hydrogen 2.782 N/A ALA 32.A N GLU 28.A O no hydrogen 2.961 N/A VAL 33.A N GLU 29.A O no hydrogen 3.027 N/A LEU 34.A N VAL 30.A O no hydrogen 2.955 N/A GLU 35.A N GLN 31.A O no hydrogen 2.975 N/A ALA 36.A N ALA 32.A O no hydrogen 2.886 N/A TYR 37.A N VAL 33.A O no hydrogen 3.220 N/A TYR 37.A N LEU 34.A O no hydrogen 3.268 N/A TYR 37.A OH GLU 43.A OE1 no hydrogen 2.741 N/A SER 39.A N ASN 125.A OD1 no hydrogen 2.934 N/A SER 39.A OG LEU 95.A O no hydrogen 2.812 N/A ASN 40.A N TYR 37.A OH no hydrogen 3.199 N/A ASN 40.A ND2 GLU 43.A OE2 no hydrogen 3.034 N/A GLU 43.A N ASN 40.A O no hydrogen 2.838 N/A TRP 44.A N PRO 41.A O no hydrogen 3.155 N/A TRP 44.A NE1 SER 39.A OG no hydrogen 2.895 N/A TYR 47.A N TRP 44.A O no hydrogen 2.946 N/A ALA 48.A N ALA 45.A O no hydrogen 3.192 N/A LYS 49.A N TYR 47.A O no hydrogen 2.855 N/A LYS 49.A NZ LEU 46.A O no hydrogen 2.979 N/A LYS 49.A NZ GLY 183.A O no hydrogen 2.974 N/A TYR 53.A N ASP 51.A OD2 no hydrogen 2.778 N/A ARG 54.A NE TYR 55.A O no hydrogen 2.828 N/A ARG 54.A NH2 TYR 55.A O no hydrogen 2.986 N/A THR 56.A N CYS 73.A O no hydrogen 3.108 N/A THR 56.A OG1 LYS 49.A O no hydrogen 2.619 N/A ARG 57.A NH1.B THR 177.A O no hydrogen 3.508 N/A ARG 57.A NH2.A TYR 55.A OH no hydrogen 3.106 N/A ASN 58.A N ILE 71.A O no hydrogen 2.881 N/A ASN 58.A ND2 THR 56.A OG1 no hydrogen 3.226 N/A ASN 58.A ND2 ILE 71.A O no hydrogen 2.990 N/A LEU 59.A N SER 180.A O no hydrogen 2.893 N/A VAL 60.A N LEU 69.A O no hydrogen 2.815 N/A ASP 61.A N LEU 69.A O no hydrogen 3.053 N/A GLY 63.A N ASP 61.A OD2 no hydrogen 2.912 N/A GLY 65.A N GLN 62.A O no hydrogen 3.217 N/A LYS 66.A N GLY 63.A O no hydrogen 3.028 N/A LYS 66.A NZ PHE 20.A O no hydrogen 3.061 N/A LYS 66.A NZ GLY 22.A O no hydrogen 2.531 N/A ASN 68.A N TYR 154.A O no hydrogen 2.923 N/A LEU 69.A N ASP 61.A O no hydrogen 2.888 N/A MET 70.A N HIS 152.A O no hydrogen 2.840 N/A ILE 71.A N ASN 58.A O no hydrogen 2.801 N/A LEU 72.A N SER 150.A O no hydrogen 2.785 N/A CYS 73.A N THR 56.A O no hydrogen 3.017 N/A CYS 73.A SG LYS 49.A O no hydrogen 3.956 N/A TRP 74.A N ALA 148.A O no hydrogen 2.802 N/A TRP 74.A NE1 SER 150.A OG no hydrogen 2.874 N/A GLY 75.A N HIS 78.A ND1 no hydrogen 2.859 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.596 N/A HIS 78.A N GLY 75.A O no hydrogen 3.020 N/A HIS 78.A NE2 GLN 52.A O no hydrogen 2.997 N/A SER 80.A N VAL 139.A O no hydrogen 2.848 N/A SER 80.A OG SER 81.A O no hydrogen 2.808 N/A SER 80.A OG VAL 139.A O no hydrogen 3.421 N/A HIS 83.A N HIS 137.A O no hydrogen 2.996 N/A HIS 83.A ND1 SER 81.A O no hydrogen 2.978 N/A ASP 84.A N HIS 162.A O no hydrogen 3.434 N/A HIS 85.A N ASP 132.A OD1 no hydrogen 2.942 N/A THR 86.A OG1 THR 160.A O no hydrogen 2.780 N/A ASP 87.A N ASP 132.A OD2 no hydrogen 3.078 N/A SER 88.A N HIS 85.A O no hydrogen 2.888 N/A SER 88.A OG PRO 156.A O no hydrogen 2.780 N/A HIS 89.A N SER 155.A O no hydrogen 2.746 N/A HIS 89.A ND1 TYR 129.A OH no hydrogen 2.661 N/A GLY 90.A N ILE 130.A O no hydrogen 2.937 N/A PHE 91.A N LEU 153.A O no hydrogen 2.788 N/A LEU 92.A N.A ALA 128.A O no hydrogen 2.890 N/A LEU 92.A N.B ALA 128.A O no hydrogen 2.893 N/A LYS 93.A N LEU 151.A O no hydrogen 2.715 N/A LYS 93.A NZ LEU 34.A O no hydrogen 2.773 N/A LYS 93.A NZ TYR 37.A O no hydrogen 2.776 N/A LYS 93.A NZ ASN 125.A O no hydrogen 2.787 N/A LYS 93.A NZ ASN 125.A OD1 no hydrogen 3.363 N/A LEU 94.A N GLN 126.A O no hydrogen 3.003 N/A LEU 95.A N VAL 149.A O no hydrogen 2.741 N/A GLN 96.A N VAL 149.A O no hydrogen 3.116 N/A GLY 97.A N GLU 124.A OE2 no hydrogen 3.055 N/A LEU 99.A N LEU 122.A O no hydrogen 3.134 N/A LYS 100.A N GLU 140.A O no hydrogen 2.892 N/A GLU 101.A N ARG 120.A O no hydrogen 2.882 N/A THR 102.A N ARG 138.A O no hydrogen 2.947 N/A LEU 103.A N SER 118.A O no hydrogen 2.864 N/A PHE 104.A N LEU 136.A O no hydrogen 2.805 N/A TRP 106.A NE1 ASP 132.A O no hydrogen 2.783 N/A ASN 112.A N THR 168.A O no hydrogen 3.133 N/A MET 114.A N GLN 166.A O no hydrogen 2.715 N/A LYS 117.A N LEU 103.A O no hydrogen 2.865 N/A LYS 117.A NZ ILE 134.A O no hydrogen 2.736 N/A ARG 120.A N GLU 101.A O no hydrogen 2.924 N/A ARG 120.A NE GLU 101.A OE1 no hydrogen 2.864 N/A ARG 120.A NH2 GLU 101.A OE1 no hydrogen 3.165 N/A LEU 122.A N LEU 99.A O no hydrogen 2.772 N/A ARG 123.A N GLN 126.A OE1 no hydrogen 3.073 N/A ARG 123.A NH1 ASN 98.A OD1 no hydrogen 3.407 N/A ASN 125.A N LEU 94.A O no hydrogen 2.835 N/A GLN 126.A N ARG 123.A O no hydrogen 2.920 N/A CYS 127.A N GLU 35.A OE1 no hydrogen 3.197 N/A CYS 127.A SG LEU 92.A O.A no hydrogen 3.636 N/A CYS 127.A SG LEU 92.A O.B no hydrogen 3.842 N/A CYS 127.A SG ALA 128.A O no hydrogen 3.675 N/A ALA 128.A N LEU 92.A O.A no hydrogen 2.758 N/A ALA 128.A N LEU 92.A O.B no hydrogen 2.851 N/A TYR 129.A OH HIS 89.A ND1 no hydrogen 2.661 N/A ILE 130.A N GLY 90.A O no hydrogen 2.859 N/A ASN 131.A ND2 TYR 129.A OH no hydrogen 2.944 N/A SER 133.A OG ASN 131.A OD1 no hydrogen 2.361 N/A ILE 134.A N ASN 131.A O no hydrogen 2.913 N/A ILE 134.A N ASN 131.A OD1 no hydrogen 2.885 N/A GLY 135.A N ASN 131.A O no hydrogen 3.168 N/A LEU 136.A N PHE 104.A O no hydrogen 2.806 N/A HIS 137.A N HIS 83.A O no hydrogen 3.179 N/A HIS 137.A ND1 GLU 101.A OE2 no hydrogen 2.778 N/A HIS 137.A NE2 HIS 83.A NE2 no hydrogen 3.102 N/A ARG 138.A N THR 102.A O no hydrogen 2.862 N/A ARG 138.A NH1 SER 80.A O no hydrogen 3.105 N/A ARG 138.A NH2 GLN 166.A OE1 no hydrogen 2.578 N/A VAL 139.A N SER 80.A OG no hydrogen 3.049 N/A GLU 140.A N LYS 100.A O no hydrogen 2.988 N/A ASN 141.A N HIS 78.A O no hydrogen 2.732 N/A ASN 141.A ND2 TRP 74.A O no hydrogen 3.148 N/A ASN 141.A ND2 GLY 75.A O no hydrogen 3.061 N/A ASN 141.A ND2 GLU 146.A O no hydrogen 2.923 N/A SER 143.A N ASN 141.A OD1 no hydrogen 3.210 N/A SER 143.A OG GLU 146.A O no hydrogen 3.444 N/A THR 145.A N SER 143.A OG no hydrogen 3.147 N/A GLU 146.A N SER 143.A OG no hydrogen 2.726 N/A ALA 148.A N TRP 74.A O no hydrogen 2.869 N/A VAL 149.A N GLN 96.A O no hydrogen 2.860 N/A SER 150.A N LEU 72.A O no hydrogen 2.893 N/A SER 150.A OG HIS 152.A NE2 no hydrogen 2.685 N/A LEU 151.A N LYS 93.A O no hydrogen 2.670 N/A HIS 152.A N MET 70.A O no hydrogen 2.754 N/A HIS 152.A ND1 TYR 154.A OH no hydrogen 2.937 N/A HIS 152.A NE2 SER 150.A OG no hydrogen 2.685 N/A LEU 153.A N PHE 91.A O no hydrogen 2.897 N/A TYR 154.A N ASN 68.A O no hydrogen 3.022 N/A SER 155.A N HIS 89.A O no hydrogen 3.115 N/A SER 155.A OG LYS 66.A O no hydrogen 2.656 N/A CYS 161.A N VAL 174.A O no hydrogen 3.045 N/A CYS 161.A SG HIS 162.A O no hydrogen 3.899 N/A HIS 162.A N ASP 84.A OD1 no hydrogen 2.659 N/A HIS 162.A ND1 ASP 84.A OD2 no hydrogen 3.298 N/A ALA 163.A N ASN 172.A O no hydrogen 2.954 N/A PHE 164.A N ILE 82.A O no hydrogen 2.751 N/A ASP 165.A N HIS 170.A O no hydrogen 2.935 N/A ARG 167.A N ASP 165.A OD1 no hydrogen 3.152 N/A ARG 167.A NH2 GLU 113.A OE2 no hydrogen 3.023 N/A THR 168.A N ASP 165.A O no hydrogen 3.174 N/A THR 168.A OG1 ASP 165.A OD2 no hydrogen 2.665 N/A GLY 169.A N ASP 165.A O no hydrogen 2.693 N/A HIS 170.A N THR 168.A OG1 no hydrogen 3.181 N/A ASN 172.A N ALA 163.A O no hydrogen 3.075 N/A VAL 174.A N CYS 161.A O no hydrogen 2.812 N/A MET 176.A N ASP 159.A O no hydrogen 2.714 N/A HIS 179.A N ARG 57.A O.A no hydrogen 2.790 N/A HIS 179.A N ARG 57.A O.B no hydrogen 2.760 N/A SER 180.A OG ASN 58.A OD1 no hydrogen 2.574 N/A LYS 181.A N ILE 184.A O no hydrogen 2.852 N/A PHE 182.A N LEU 59.A O no hydrogen 2.921 N/A ILE 184.A N LYS 181.A O no hydrogen 2.919 N/A ARG 185.A NH1 HIS 179.A O no hydrogen 2.765 N/A THR 186.A N HIS 179.A O no hydrogen 3.074 N/A THR 186.A OG1 PHE 178.A O no hydrogen 3.190 N/A THR 186.A OG1 THR 186.A O no hydrogen 2.677 N/A