Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4p1q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N.A GLY 1.A O no hydrogen 3.377 N/A GLU 5.A N.B GLY 1.A O no hydrogen 3.382 N/A GLU 5.A N.B LYS 2.A O no hydrogen 3.290 N/A LEU 6.A N GLY 3.A O no hydrogen 3.015 N/A PHE 7.A N GLU 4.A O no hydrogen 3.085 N/A THR 8.A N GLU 5.A O.A no hydrogen 3.449 N/A THR 8.A OG1 GLU 5.A O.A no hydrogen 3.207 N/A THR 8.A OG1 GLU 5.A O.B no hydrogen 3.299 N/A VAL 11.A N GLY 34.A O no hydrogen 2.819 N/A ILE 13.A N GLY 32.A O no hydrogen 2.864 N/A LEU 14.A N LEU 115.A O no hydrogen 2.897 N/A VAL 15.A N GLY 30.A O no hydrogen 2.899 N/A GLU 16.A N ASN 117.A O no hydrogen 2.928 N/A LEU 17.A N VAL 28.A O no hydrogen 2.858 N/A ASP 18.A N ILE 119.A O no hydrogen 3.013 N/A GLY 19.A N PHE 26.A O no hydrogen 2.835 N/A ASP 20.A N LEU 121.A O no hydrogen 3.016 N/A VAL 21.A N HIS 24.A O no hydrogen 2.953 N/A ASN 22.A N GLY 123.A O no hydrogen 2.848 N/A ASN 22.A ND2 PHE 126.A O no hydrogen 2.918 N/A GLY 23.A N ASP 20.A OD1 no hydrogen 2.864 N/A HIS 24.A N VAL 21.A O no hydrogen 2.895 N/A LYS 25.A NZ ASP 20.A OD2 no hydrogen 2.933 N/A PHE 26.A N GLY 19.A O no hydrogen 2.918 N/A SER 27.A N THR 49.A OG1 no hydrogen 3.073 N/A SER 27.A OG ASP 18.A OD1 no hydrogen 2.681 N/A VAL 28.A N LEU 17.A O no hydrogen 2.914 N/A SER 29.A N ILE 46.A O no hydrogen 3.004 N/A SER 29.A OG GLU 16.A OE1 no hydrogen 3.185 N/A SER 29.A OG GLU 16.A OE2 no hydrogen 2.899 N/A GLY 30.A N VAL 15.A O no hydrogen 2.738 N/A GLU 31.A N LYS 44.A O no hydrogen 3.004 N/A GLY 32.A N ILE 13.A O no hydrogen 3.018 N/A GLU 33.A N THR 42.A O no hydrogen 2.980 N/A GLY 34.A N VAL 11.A O no hydrogen 2.905 N/A ASP 35.A N LYS 40.A O no hydrogen 2.817 N/A THR 37.A N ASP 35.A OD1.A no hydrogen 2.970 N/A THR 37.A OG1 THR 8.A O no hydrogen 3.143 N/A THR 37.A OG1 ASP 35.A OD1.A no hydrogen 2.763 N/A TYR 38.A N ASP 35.A O no hydrogen 2.972 N/A GLY 39.A N ALA 36.A O no hydrogen 3.075 N/A LYS 40.A N ASP 35.A O no hydrogen 3.153 N/A LEU 41.A N HIS 218.A O no hydrogen 2.914 N/A THR 42.A N GLU 33.A O no hydrogen 2.999 N/A THR 42.A OG1.B GLU 33.A O no hydrogen 3.519 N/A LEU 43.A N LEU 216.A O no hydrogen 2.963 N/A LYS 44.A N GLU 31.A O no hydrogen 2.990 N/A LYS 44.A NZ ASP 206.A OD2 no hydrogen 2.814 N/A LYS 44.A NZ GLU 209.A OE2 no hydrogen 2.761 N/A PHE 45.A N MET 214.A O no hydrogen 2.817 N/A ILE 46.A N SER 29.A O no hydrogen 2.828 N/A CYS 47.A N ASP 212.A O no hydrogen 2.981 N/A CYS 47.A SG SER 27.A O no hydrogen 3.616 N/A CYS 47.A SG THR 49.A OG1 no hydrogen 3.466 N/A CYS 47.A SG GLY 50.A O no hydrogen 3.195 N/A THR 48.A N SER 27.A O no hydrogen 3.024 N/A THR 48.A OG1 SER 27.A O no hydrogen 3.430 N/A LEU 52.A N ASP 212.A OD2 no hydrogen 2.823 N/A TRP 56.A NE1 ASP 212.A OD1 no hydrogen 2.921 N/A THR 58.A N PRO 55.A O no hydrogen 2.970 N/A THR 58.A OG1 PRO 55.A O no hydrogen 2.804 N/A THR 58.A OG1 TYR 102.A OH no hydrogen 2.801 N/A LEU 59.A N TRP 56.A O no hydrogen 2.994 N/A VAL 60.A N PRO 57.A O no hydrogen 3.298 N/A THR 61.A OG1 HIS 177.A NE2 no hydrogen 2.698 N/A PHE 63.A N LEU 59.A O no hydrogen 2.995 N/A PHE 67.A N VAL 64.A O no hydrogen 2.943 N/A SER 68.A N GLN 65.A O no hydrogen 3.100 N/A SER 68.A OG GLN 65.A O no hydrogen 2.789 N/A ARG 69.A N VAL 220.A O no hydrogen 2.869 N/A TYR 70.A OH HIS 195.A NE2 no hydrogen 2.697 N/A HIS 73.A NE2 ILE 225.A O no hydrogen 2.827 N/A MET 74.A N PRO 71.A O no hydrogen 2.768 N/A LYS 75.A N ASP 72.A O no hydrogen 3.218 N/A LYS 75.A NZ TYR 70.A O no hydrogen 2.852 N/A HIS 77.A N MET 74.A O no hydrogen 2.874 N/A ASP 78.A N LYS 75.A O no hydrogen 3.173 N/A PHE 79.A N HIS 77.A O no hydrogen 3.145 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 3.090 N/A LYS 81.A NZ CYS 66.A O no hydrogen 2.920 N/A LYS 81.A NZ SER 68.A O no hydrogen 2.865 N/A LYS 81.A NZ ASP 78.A OD2 no hydrogen 2.791 N/A SER 82.A N ASP 78.A O no hydrogen 3.333 N/A SER 82.A OG PHE 79.A O no hydrogen 2.720 N/A ALA 83.A N PHE 79.A O no hydrogen 3.183 N/A MET 84.A N LYS 81.A O no hydrogen 3.010 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.847 N/A GLY 87.A N ALA 83.A O no hydrogen 2.771 N/A TYR 88.A N VAL 108.A O no hydrogen 2.974 N/A VAL 89.A N THR 182.A O no hydrogen 2.813 N/A GLN 90.A N ALA 106.A O no hydrogen 2.848 N/A GLU 91.A N GLN 180.A O no hydrogen 2.816 N/A ARG 92.A N THR 104.A O no hydrogen 2.994 N/A ARG 92.A NE GLN 179.A OE1 no hydrogen 2.971 N/A ARG 92.A NH1 THR 61.A O no hydrogen 2.795 N/A ARG 92.A NH2 GLN 179.A OE1 no hydrogen 2.846 N/A THR 93.A N TYR 178.A O no hydrogen 2.951 N/A ILE 94.A N TYR 102.A O no hydrogen 2.801 N/A SER 95.A N ASP 176.A O no hydrogen 2.814 N/A PHE 96.A N GLY 100.A O no hydrogen 2.925 N/A LYS 97.A N LEU 174.A O no hydrogen 2.978 N/A ASP 99.A N PHE 96.A O no hydrogen 2.887 N/A GLY 100.A N ASP 99.A OD1 no hydrogen 2.887 N/A ASN 101.A N ILE 124.A O no hydrogen 3.073 N/A TYR 102.A N ILE 94.A O no hydrogen 2.854 N/A TYR 102.A OH THR 58.A OG1 no hydrogen 2.801 N/A LYS 103.A N LYS 122.A O no hydrogen 2.734 N/A LYS 103.A NZ THR 93.A OG1 no hydrogen 2.781 N/A THR 104.A N ARG 92.A O no hydrogen 2.910 N/A ARG 105.A N GLU 120.A O no hydrogen 3.003 N/A ARG 105.A NH1.A GLU 91.A OE2 no hydrogen 3.106 N/A ARG 105.A NH1.B GLU 107.A OE2 no hydrogen 2.926 N/A ARG 105.A NH2.B GLU 107.A OE2 no hydrogen 3.240 N/A ALA 106.A N GLN 90.A O no hydrogen 2.870 N/A GLU 107.A N ARG 118.A O no hydrogen 2.881 N/A VAL 108.A N TYR 88.A O no hydrogen 2.885 N/A LYS 109.A N VAL 116.A O no hydrogen 3.017 N/A LYS 109.A NZ GLU 107.A OE1 no hydrogen 2.782 N/A PHE 110.A N PRO 85.A O no hydrogen 3.182 N/A GLU 111.A N THR 114.A O no hydrogen 2.827 N/A THR 114.A N GLU 111.A O no hydrogen 3.147 N/A THR 114.A OG1 ASP 113.A OD1.A no hydrogen 2.735 N/A LEU 115.A N PRO 12.A O no hydrogen 2.898 N/A VAL 116.A N LYS 109.A O no hydrogen 2.846 N/A ASN 117.A N LEU 14.A O no hydrogen 2.844 N/A ASN 117.A ND2 THR 62.A O no hydrogen 3.257 N/A ASN 117.A ND2 PHE 63.A O no hydrogen 2.917 N/A ARG 118.A N GLU 107.A O no hydrogen 2.995 N/A ARG 118.A NH1 GLU 111.A OE2 no hydrogen 2.826 N/A ARG 118.A NH2 GLU 111.A OE2 no hydrogen 3.164 N/A ILE 119.A N GLU 16.A O no hydrogen 2.810 N/A GLU 120.A N ARG 105.A O no hydrogen 2.934 N/A LEU 121.A N ASP 18.A O no hydrogen 2.906 N/A LYS 122.A N LYS 103.A O no hydrogen 2.883 N/A GLY 123.A N ASP 20.A O no hydrogen 2.766 N/A ILE 124.A N ASN 101.A O no hydrogen 3.012 N/A PHE 126.A N ASN 22.A OD1 no hydrogen 3.067 N/A LYS 127.A N ASP 99.A OD1 no hydrogen 2.793 N/A LYS 127.A NZ ASP 98.A O no hydrogen 3.235 N/A GLY 130.A N LYS 127.A O no hydrogen 3.035 N/A ASN 131.A ND2 GLN 173.A OE1 no hydrogen 2.826 N/A GLY 134.A N GLY 130.A O no hydrogen 2.848 N/A HIS 135.A N ILE 132.A O no hydrogen 3.037 N/A LYS 136.A N ASN 131.A O no hydrogen 3.022 N/A LYS 136.A NZ ASP 129.A O no hydrogen 2.914 N/A LYS 136.A NZ ASP 129.A OD2 no hydrogen 2.985 N/A GLU 138.A N ASN 166.A O no hydrogen 2.928 N/A TYR 139.A OH SER 204.A O no hydrogen 2.661 N/A ASN 140.A ND2 GLU 138.A OE1 no hydrogen 2.888 N/A HIS 144.A N THR 199.A O no hydrogen 3.290 N/A HIS 144.A N THR 199.A OG1 no hydrogen 3.024 N/A VAL 146.A N LEU 197.A O no hydrogen 2.801 N/A TYR 147.A N ASN 160.A O no hydrogen 3.165 N/A ILE 148.A N HIS 195.A O no hydrogen 2.860 N/A THR 149.A N LYS 158.A O no hydrogen 2.922 N/A ASP 151.A N GLY 156.A O no hydrogen 2.798 N/A LYS 154.A N ASP 151.A O no hydrogen 3.135 N/A ASN 155.A N LYS 152.A O no hydrogen 3.101 N/A GLY 156.A N ASP 151.A O no hydrogen 3.087 N/A ILE 157.A N ASN 181.A O no hydrogen 3.099 N/A LYS 158.A N THR 149.A O no hydrogen 2.824 N/A LYS 158.A NZ TYR 178.A OH no hydrogen 2.549 N/A ALA 159.A N GLN 179.A O no hydrogen 2.928 N/A ASN 160.A N TYR 147.A O no hydrogen 3.057 N/A PHE 161.A N HIS 177.A O no hydrogen 3.077 N/A LYS 162.A NZ ASP 176.A OD1 no hydrogen 2.844 N/A ILE 163.A N ALA 175.A O no hydrogen 2.968 N/A HIS 165.A N GLN 173.A O no hydrogen 2.927 N/A ASN 166.A ND2 ASN 140.A OD1 no hydrogen 3.091 N/A ILE 167.A N SER 171.A O no hydrogen 2.916 N/A GLU 168.A N LYS 136.A O no hydrogen 2.852 N/A GLY 170.A N ILE 167.A O no hydrogen 2.956 N/A SER 171.A N ASP 169.A OD1 no hydrogen 2.860 N/A VAL 172.A N SER 171.A OG no hydrogen 2.750 N/A GLN 173.A N HIS 165.A O no hydrogen 2.829 N/A GLN 173.A NE2 LYS 97.A O no hydrogen 2.917 N/A GLN 173.A NE2 LEU 174.A O no hydrogen 3.027 N/A ALA 175.A N ILE 163.A O no hydrogen 2.839 N/A ASP 176.A N SER 95.A O no hydrogen 2.878 N/A HIS 177.A N PHE 161.A O no hydrogen 2.805 N/A HIS 177.A ND1 ALA 175.A O no hydrogen 2.953 N/A HIS 177.A NE2 THR 61.A OG1 no hydrogen 2.698 N/A TYR 178.A N THR 93.A O no hydrogen 2.996 N/A GLN 179.A N ALA 159.A O no hydrogen 2.892 N/A GLN 179.A NE2 GLN 65.A OE1 no hydrogen 2.900 N/A GLN 179.A NE2 ASN 181.A OD1 no hydrogen 2.936 N/A GLN 180.A N GLU 91.A O no hydrogen 2.906 N/A GLN 180.A NE2 ASP 151.A OD2 no hydrogen 3.058 N/A ASN 181.A N ILE 157.A O no hydrogen 2.892 N/A ASN 181.A ND2 GLN 90.A OE1 no hydrogen 2.856 N/A THR 182.A N VAL 89.A O no hydrogen 3.021 N/A ILE 184.A N GLY 87.A O no hydrogen 2.865 N/A LEU 190.A N SER 82.A OG no hydrogen 2.912 N/A ASP 193.A N HIS 77.A ND1 no hydrogen 3.018 N/A HIS 195.A N ILE 148.A O no hydrogen 3.277 N/A HIS 195.A ND1 ASP 193.A O no hydrogen 2.834 N/A HIS 195.A NE2 TYR 70.A OH no hydrogen 2.697 N/A TYR 196.A N ALA 223.A O no hydrogen 3.052 N/A LEU 197.A N VAL 146.A O no hydrogen 2.885 N/A SER 198.A N THR 221.A O no hydrogen 2.816 N/A THR 199.A N HIS 144.A O no hydrogen 2.884 N/A THR 199.A OG1 HIS 144.A O no hydrogen 3.146 N/A GLN 200.A N PHE 219.A O no hydrogen 2.925 N/A SER 201.A OG HIS 218.A ND1 no hydrogen 2.848 N/A ALA 202.A N LEU 217.A O no hydrogen 2.867 N/A SER 204.A N VAL 215.A O no hydrogen 2.861 N/A LYS 205.A NZ HIS 213.A O no hydrogen 2.757 N/A ASP 206.A N HIS 213.A NE2 no hydrogen 2.879 N/A ASN 208.A N ASP 206.A OD1 no hydrogen 3.033 N/A GLU 209.A N ASP 206.A O no hydrogen 3.028 N/A ARG 211.A N GLU 209.A OE1 no hydrogen 2.939 N/A ARG 211.A NE GLU 209.A OE1 no hydrogen 2.770 N/A ARG 211.A NH2 GLU 209.A OE1 no hydrogen 3.481 N/A ARG 211.A NH2 GLU 209.A OE2 no hydrogen 2.957 N/A HIS 213.A ND1 ARG 211.A O no hydrogen 2.852 N/A MET 214.A N PHE 45.A O no hydrogen 2.993 N/A VAL 215.A N SER 204.A O no hydrogen 3.033 N/A LEU 216.A N LEU 43.A O no hydrogen 2.839 N/A LEU 217.A N ALA 202.A O no hydrogen 3.007 N/A HIS 218.A N LEU 41.A O no hydrogen 2.967 N/A HIS 218.A ND1 SER 201.A OG no hydrogen 2.848 N/A PHE 219.A N GLN 200.A O no hydrogen 2.910 N/A VAL 220.A N GLY 39.A O no hydrogen 2.810 N/A THR 221.A N SER 198.A O no hydrogen 3.002 N/A ALA 222.A N ARG 69.A O no hydrogen 2.834 N/A ALA 223.A N TYR 196.A O no hydrogen 2.822 N/A