Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bq1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 GLU 187.A OE2 no hydrogen 2.792 N/A HIS 1.A NE2 ASP 199.A OD1 no hydrogen 2.780 N/A PHE 5.A N GLY 2.A O no hydrogen 3.139 N/A THR 7.A N GLN 251.A O no hydrogen 2.990 N/A VAL 9.A N ILE 249.A O no hydrogen 2.782 N/A PHE 10.A N ILE 249.A O no hydrogen 3.295 N/A ASP 12.A N VAL 247.A O no hydrogen 2.820 N/A PHE 14.A N ASP 12.A OD1 no hydrogen 2.898 N/A TYR 16.A OH ASP 12.A OD2 no hydrogen 2.666 N/A GLY 18.A N VAL 54.A O no hydrogen 2.982 N/A ASP 21.A N TYR 16.A OH no hydrogen 2.844 N/A GLU 23.A N ASP 21.A OD1 no hydrogen 2.956 N/A LYS 24.A N ASP 21.A O no hydrogen 2.933 N/A LYS 24.A NZ.A SER 11.A O no hydrogen 2.971 N/A LYS 24.A NZ.B SER 11.A O no hydrogen 2.677 N/A TRP 25.A N ASP 21.A O no hydrogen 2.910 N/A TRP 25.A NE1 ASP 12.A OD2 no hydrogen 2.910 N/A HIS 26.A N ASN 83.A O no hydrogen 2.796 N/A HIS 26.A NE2 GLY 120.A O no hydrogen 2.863 N/A TYR 27.A OH SER 52.A OG no hydrogen 2.541 N/A GLN 28.A N ARG 81.A O no hydrogen 2.976 N/A GLN 28.A NE2 GLU 118.A OE2 no hydrogen 2.801 N/A GLN 28.A NE2 THR 119.A O no hydrogen 3.488 N/A ASN 33.A N SER 36.A O no hydrogen 2.927 N/A SER 36.A N ASN 33.A O no hydrogen 2.973 N/A ASN 39.A ND2 GLU 41.A OE2 no hydrogen 2.894 N/A GLU 41.A N HIS 38.A O no hydrogen 3.017 N/A LEU 42.A N MET 225.A O no hydrogen 2.865 N/A HIS 44.A N TYR 77.A O no hydrogen 2.927 N/A HIS 44.A NE2 SER 73.A O no hydrogen 2.850 N/A THR 46.A N SER 79.A O no hydrogen 2.858 N/A THR 46.A OG1 ASN 51.A OD1 no hydrogen 2.691 N/A ARG 48.A N THR 46.A OG1 no hydrogen 3.126 N/A ARG 48.A NE THR 46.A OG1 no hydrogen 3.019 N/A ARG 48.A NH1 GLU 66.A OE2 no hydrogen 2.819 N/A ARG 48.A NH2 ASN 51.A OD1 no hydrogen 2.971 N/A ARG 48.A NH2 GLU 66.A OE1 no hydrogen 2.885 N/A ARG 48.A NH2 GLU 66.A OE2 no hydrogen 3.414 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.871 N/A ASN 51.A N ARG 48.A O no hydrogen 2.955 N/A ASN 51.A ND2 ARG 62.A O no hydrogen 2.944 N/A ASN 51.A ND2 THR 78.A OG1 no hydrogen 3.006 N/A SER 52.A N ARG 48.A O no hydrogen 3.291 N/A SER 52.A OG TYR 27.A OH no hydrogen 2.541 N/A PHE 53.A N LYS 60.A O no hydrogen 3.018 N/A VAL 54.A N GLY 18.A O no hydrogen 2.779 N/A SER 55.A N THR 58.A O no hydrogen 2.943 N/A THR 58.A N SER 55.A O no hydrogen 3.007 N/A THR 58.A OG1 SER 55.A O no hydrogen 3.530 N/A THR 58.A OG1 GLU 243.A OE2 no hydrogen 2.678 N/A LEU 59.A N ILE 244.A O no hydrogen 2.831 N/A LYS 60.A N PHE 53.A O no hydrogen 2.752 N/A LYS 60.A NZ SER 55.A OG no hydrogen 2.943 N/A LYS 60.A NZ THR 58.A OG1 no hydrogen 2.807 N/A ILE 61.A N PHE 242.A O no hydrogen 2.890 N/A ARG 62.A N ASN 51.A O no hydrogen 2.827 N/A ARG 62.A NE GLU 50.A O no hydrogen 2.801 N/A ARG 62.A NH2 SER 49.A O no hydrogen 3.262 N/A ARG 62.A NH2 GLU 50.A O no hydrogen 3.340 N/A ALA 63.A N ASP 240.A O no hydrogen 2.917 N/A ILE 64.A N THR 78.A O no hydrogen 2.816 N/A LYS 65.A N THR 238.A O no hydrogen 2.860 N/A LYS 65.A NZ GLU 235.A O no hydrogen 3.036 N/A GLU 66.A N ASP 76.A O no hydrogen 2.944 N/A LYS 67.A NZ ASP 76.A OD1 no hydrogen 2.691 N/A TYR 68.A N LYS 75.A O no hydrogen 2.965 N/A THR 69.A OG1 THR 74.A OG1 no hydrogen 2.720 N/A PHE 70.A N SER 73.A O no hydrogen 2.938 N/A SER 73.A N PHE 70.A O no hydrogen 2.957 N/A SER 73.A OG GLY 35.A O no hydrogen 2.660 N/A THR 74.A OG1 THR 69.A OG1 no hydrogen 2.720 N/A LYS 75.A N TYR 68.A O no hydrogen 2.892 N/A LYS 75.A NZ SER 36.A OG no hydrogen 2.751 N/A THR 78.A N ILE 64.A O no hydrogen 2.927 N/A THR 78.A OG1 GLU 66.A OE1 no hydrogen 2.723 N/A SER 79.A N HIS 44.A O no hydrogen 2.918 N/A SER 79.A OG ILE 223.A O no hydrogen 2.654 N/A ARG 81.A NE GLN 28.A OE1 no hydrogen 2.828 N/A ARG 81.A NH2 GLU 118.A OE2 no hydrogen 2.727 N/A LEU 82.A N LEU 221.A O no hydrogen 2.874 N/A ASN 83.A N HIS 26.A O no hydrogen 2.812 N/A SER 84.A N LEU 219.A O no hydrogen 2.808 N/A SER 84.A OG PHE 86.A O no hydrogen 2.769 N/A LYS 85.A N LYS 24.A O no hydrogen 2.804 N/A LYS 85.A NZ PRO 22.A O no hydrogen 2.647 N/A PHE 88.A N HIS 217.A O no hydrogen 2.903 N/A TYR 90.A OH ASN 214.A OD1 no hydrogen 2.617 N/A GLY 91.A N TRP 188.A O no hydrogen 2.822 N/A LYS 92.A N TYR 250.A O no hydrogen 2.798 N/A LYS 92.A NZ GLY 2.A O no hydrogen 2.693 N/A LYS 92.A NZ PHE 5.A O no hydrogen 3.553 N/A VAL 93.A N LEU 186.A O no hydrogen 2.900 N/A GLU 94.A N ARG 248.A O no hydrogen 2.773 N/A VAL 95.A N TYR 184.A O no hydrogen 2.889 N/A ARG 96.A N TYR 246.A O no hydrogen 3.130 N/A ARG 96.A NH1 ASP 245.A OD2 no hydrogen 2.788 N/A ALA 97.A N HIS 182.A O no hydrogen 2.902 N/A LYS 98.A N GLU 243.A O no hydrogen 2.753 N/A LYS 98.A NZ GLY 179.A O no hydrogen 3.555 N/A LEU 99.A N ALA 177.A O no hydrogen 2.938 N/A LYS 102.A N ASP 240.A OD2 no hydrogen 2.873 N/A LYS 102.A NZ ASP 239.A O no hydrogen 2.842 N/A THR 105.A N LYS 102.A O no hydrogen 3.331 N/A THR 105.A OG1 LYS 102.A O no hydrogen 2.696 N/A TRP 106.A N ALA 224.A O no hydrogen 2.898 N/A TRP 106.A NE1 GLU 142.A OE1 no hydrogen 2.948 N/A ALA 108.A N ASN 222.A O no hydrogen 3.065 N/A ILE 109.A N LEU 141.A O no hydrogen 2.826 N/A TRP 110.A N LEU 220.A O no hydrogen 3.031 N/A TRP 110.A NE1 ASN 222.A OD1 no hydrogen 2.758 N/A THR 111.A N ILE 138.A O no hydrogen 2.693 N/A LEU 112.A N TYR 218.A O no hydrogen 3.141 N/A GLY 113.A N GLY 136.A O no hydrogen 2.998 N/A ALA 114.A N PRO 216.A O no hydrogen 2.716 N/A SER 116.A N GLY 113.A O no hydrogen 2.900 N/A SER 116.A OG TYR 218.A OH no hydrogen 2.939 N/A ASN 117.A ND2 ASN 129.A OD1 no hydrogen 3.015 N/A GLU 118.A N SER 116.A OG no hydrogen 3.286 N/A ASN 121.A N GLU 118.A O no hydrogen 3.058 N/A ASN 121.A ND2 TYR 218.A OH no hydrogen 3.030 N/A PHE 123.A N ASN 121.A OD1 no hydrogen 3.243 N/A GLY 124.A N ASN 121.A OD1 no hydrogen 2.912 N/A GLN 126.A N PHE 123.A O no hydrogen 3.054 N/A ALA 130.A N ASN 115.A O no hydrogen 2.819 N/A TRP 132.A NE1 GLU 137.A OE1 no hydrogen 2.748 N/A ALA 134.A N GLU 131.A O no hydrogen 2.872 N/A CYS 135.A SG GLY 136.A O no hydrogen 3.682 N/A GLY 136.A N PRO 133.A O no hydrogen 3.008 N/A GLU 137.A N HIS 156.A O no hydrogen 2.880 N/A ILE 138.A N THR 111.A O no hydrogen 3.112 N/A ASP 139.A N HIS 154.A O no hydrogen 2.725 N/A LEU 141.A N ILE 109.A O no hydrogen 3.005 N/A GLU 142.A N ILE 152.A O no hydrogen 3.108 N/A GLN 143.A N PRO 107.A O no hydrogen 3.324 N/A GLN 143.A NE2 LYS 148.A O no hydrogen 3.013 N/A GLN 143.A NE2 SER 150.A O no hydrogen 2.858 N/A ASN 144.A ND2 ASP 147.A O no hydrogen 3.509 N/A GLY 145.A N LEU 229.A O no hydrogen 2.734 N/A LYS 148.A NZ THR 105.A O no hydrogen 2.835 N/A LYS 148.A NZ THR 105.A OG1 no hydrogen 2.959 N/A LYS 148.A NZ ASN 144.A O no hydrogen 2.797 N/A GLU 149.A N ASP 147.A OD1 no hydrogen 2.974 N/A THR 151.A N THR 172.A O no hydrogen 2.861 N/A ILE 152.A N GLU 142.A O no hydrogen 2.956 N/A ALA 153.A N GLY 170.A O no hydrogen 3.012 N/A HIS 154.A N ASP 139.A O no hydrogen 3.051 N/A HIS 154.A NE2 ASN 167.A OD1 no hydrogen 2.801 N/A PHE 155.A N LEU 168.A O no hydrogen 2.889 N/A HIS 156.A N GLU 137.A O no hydrogen 3.149 N/A TRP 157.A N GLN 166.A O no hydrogen 2.942 N/A TRP 157.A NE1 ASP 159.A OD1 no hydrogen 2.862 N/A SER 158.A N PRO 133.A O no hydrogen 3.318 N/A LEU 160.A N ASN 210.A O no hydrogen 2.889 N/A SER 162.A N ASP 159.A O no hydrogen 3.223 N/A GLU 164.A N SER 162.A OG no hydrogen 2.743 N/A GLN 166.A N TRP 157.A O no hydrogen 2.758 N/A LEU 168.A N PHE 155.A O no hydrogen 3.133 N/A GLY 170.A N ALA 153.A O no hydrogen 3.004 N/A THR 172.A N THR 151.A O no hydrogen 2.971 N/A ILE 174.A N GLU 149.A O no hydrogen 2.910 N/A GLY 179.A N ASN 176.A O no hydrogen 3.248 N/A SER 180.A N ASN 176.A O no hydrogen 3.075 N/A SER 180.A OG PHE 181.A O no hydrogen 3.570 N/A HIS 182.A N ALA 97.A O no hydrogen 3.072 N/A HIS 182.A ND1 SER 180.A O no hydrogen 3.000 N/A VAL 183.A N ASP 198.A OD1 no hydrogen 2.850 N/A TYR 184.A N VAL 95.A O no hydrogen 2.837 N/A SER 185.A N PHE 196.A O no hydrogen 3.050 N/A LEU 186.A N VAL 93.A O no hydrogen 2.904 N/A GLU 187.A N LYS 194.A O no hydrogen 2.784 N/A TRP 188.A N GLY 91.A O no hydrogen 2.812 N/A TRP 188.A NE1 TYR 213.A O no hydrogen 2.832 N/A ASN 189.A N ALA 192.A O no hydrogen 2.915 N/A SER 191.A N ASN 189.A OD1 no hydrogen 2.885 N/A ALA 192.A N ASN 189.A OD1 no hydrogen 2.922 N/A MET 193.A N LEU 205.A O no hydrogen 2.917 N/A LYS 194.A N GLU 187.A O no hydrogen 2.862 N/A VAL 195.A N TYR 203.A O no hydrogen 2.904 N/A PHE 196.A N SER 185.A O no hydrogen 2.851 N/A LEU 197.A N THR 200.A O no hydrogen 2.880 N/A ASP 198.A N VAL 183.A O no hydrogen 2.779 N/A THR 200.A N LEU 197.A O no hydrogen 2.866 N/A VAL 202.A N VAL 195.A O no hydrogen 2.749 N/A TYR 203.A N VAL 195.A O no hydrogen 3.363 N/A LEU 205.A N MET 193.A O no hydrogen 2.882 N/A ASN 207.A N SER 191.A O no hydrogen 2.926 N/A ASN 207.A ND2 ASN 189.A O no hydrogen 2.991 N/A ASN 207.A ND2 TYR 213.A O no hydrogen 3.033 N/A SER 208.A N ASN 207.A OD1 no hydrogen 2.864 N/A ASN 210.A N SER 208.A OG no hydrogen 3.164 N/A THR 211.A N SER 208.A O no hydrogen 3.022 N/A THR 211.A OG1 ASN 207.A OD1 no hydrogen 2.696 N/A THR 211.A OG1 SER 208.A O no hydrogen 2.997 N/A TYR 213.A N THR 211.A OG1 no hydrogen 2.956 N/A TYR 213.A OH GLU 137.A O no hydrogen 2.804 N/A ASN 214.A ND2 ASN 207.A OD1 no hydrogen 3.455 N/A ASN 214.A ND2 SER 208.A O no hydrogen 2.911 N/A ASN 214.A ND2 THR 211.A O no hydrogen 3.672 N/A HIS 217.A N PHE 88.A O no hydrogen 2.832 N/A HIS 217.A ND1 ALA 215.A O no hydrogen 3.330 N/A TYR 218.A N LEU 112.A O no hydrogen 2.967 N/A TYR 218.A OH SER 116.A OG no hydrogen 2.939 N/A LEU 219.A N SER 84.A OG no hydrogen 2.930 N/A LEU 220.A N TRP 110.A O no hydrogen 2.724 N/A LEU 221.A N LEU 82.A O no hydrogen 3.067 N/A ASN 222.A N ALA 108.A O no hydrogen 3.223 N/A ASN 222.A ND2 TYR 45.A OH no hydrogen 3.045 N/A ALA 224.A N TRP 106.A O no hydrogen 2.838 N/A GLY 226.A N GLY 104.A O no hydrogen 2.932 N/A THR 228.A N ASN 39.A O no hydrogen 2.900 N/A THR 228.A OG1 ASN 39.A O no hydrogen 3.310 N/A GLY 231.A N GLY 227.A O no hydrogen 2.926 N/A PHE 237.A N PRO 234.A O no hydrogen 3.024 N/A ASP 239.A N THR 238.A OG1 no hydrogen 2.809 N/A ASP 240.A N ALA 63.A O no hydrogen 2.931 N/A ILE 241.A N ASP 240.A OD1 no hydrogen 2.993 N/A PHE 242.A N ILE 61.A O no hydrogen 2.865 N/A GLU 243.A N LYS 98.A O no hydrogen 2.901 N/A ILE 244.A N LEU 59.A O no hydrogen 2.776 N/A ASP 245.A N ARG 96.A O no hydrogen 2.769 N/A VAL 247.A N ASP 12.A O no hydrogen 3.004 N/A ARG 248.A N GLU 94.A O no hydrogen 2.884 N/A ARG 248.A NE GLU 13.A OE2 no hydrogen 2.784 N/A ARG 248.A NH2 GLU 13.A OE1 no hydrogen 2.865 N/A ARG 248.A NH2 GLU 13.A OE2 no hydrogen 3.363 N/A ILE 249.A N PHE 10.A O no hydrogen 2.753 N/A TYR 250.A N LYS 92.A O no hydrogen 2.874 N/A GLN 251.A N THR 7.A O no hydrogen 2.787 N/A