Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u1j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N VAL 104.A O no hydrogen 2.896 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.616 N/A HIS 4.A NE2 GLU 181.A OE1 no hydrogen 2.788 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.863 N/A SER 5.A OG.A ASP 30.A OD1 no hydrogen 3.460 N/A SER 5.A OG.B ASP 103.A OD1 no hydrogen 2.852 N/A MET 6.A N CYS 102.A O no hydrogen 2.921 N/A ARG 7.A N TYR 28.A O no hydrogen 2.969 N/A ARG 7.A NH1 MET 6.A O no hydrogen 3.004 N/A ARG 7.A NH1 CYS 102.A O no hydrogen 3.146 N/A ARG 7.A NH1 ASP 103.A OD1 no hydrogen 2.927 N/A ARG 7.A NH2 ASP 103.A OD1 no hydrogen 2.857 N/A TYR 8.A N TYR 100.A O no hydrogen 2.926 N/A PHE 9.A N VAL 26.A O no hydrogen 2.915 N/A TYR 10.A N SER 98.A O no hydrogen 2.846 N/A THR 11.A N ILE 24.A O no hydrogen 2.881 N/A SER 12.A N.A LEU 96.A O no hydrogen 2.858 N/A SER 12.A N.B LEU 96.A O no hydrogen 2.894 N/A SER 12.A OG.A ASP 75.A OD2 no hydrogen 2.680 N/A VAL 13.A N ARG 22.A O no hydrogen 3.058 N/A SER 14.A N HIS 94.A O no hydrogen 2.888 N/A SER 14.A OG HIS 94.A O no hydrogen 3.453 N/A ARG 15.A NE GLU 20.A O no hydrogen 2.840 N/A ARG 15.A NH1 ASP 40.A OD2 no hydrogen 2.874 N/A ARG 15.A NH2 GLU 20.A O no hydrogen 3.012 N/A ARG 15.A NH2 ASP 40.A OD1 no hydrogen 2.837 N/A ARG 15.A NH2 ASP 40.A OD2 no hydrogen 3.498 N/A ARG 18.A N ARG 15.A O no hydrogen 2.885 N/A ARG 22.A N VAL 13.A O no hydrogen 3.123 N/A ARG 22.A NE ASP 38.A OD1 no hydrogen 2.952 N/A ARG 22.A NH2 ASP 38.A OD1 no hydrogen 3.491 N/A ARG 22.A NH2 ASP 38.A OD2 no hydrogen 2.741 N/A PHE 23.A N SER 39.A OG no hydrogen 2.904 N/A ILE 24.A N THR 11.A O no hydrogen 2.922 N/A SER 25.A N PHE 37.A O no hydrogen 2.924 N/A VAL 26.A N PHE 9.A O no hydrogen 3.026 N/A GLY 27.A N VAL 35.A O no hydrogen 3.083 N/A TYR 28.A N ARG 7.A O no hydrogen 2.798 N/A VAL 29.A N THR 32.A O no hydrogen 2.915 N/A ASP 30.A N SER 5.A O no hydrogen 2.904 N/A THR 32.A N VAL 29.A O no hydrogen 2.837 N/A THR 32.A OG1 TYR 210.A OH no hydrogen 2.836 N/A GLN 33.A NE2 VAL 35.A O no hydrogen 3.079 N/A PHE 34.A N GLY 27.A O no hydrogen 2.821 N/A ARG 36.A N GLU 47.A O no hydrogen 3.071 N/A ARG 36.A NE GLU 47.A OE1 no hydrogen 2.759 N/A ARG 36.A NH2 GLU 47.A OE1 no hydrogen 2.918 N/A PHE 37.A N SER 25.A O no hydrogen 2.910 N/A SER 39.A N PHE 23.A O no hydrogen 2.866 N/A SER 39.A OG PHE 23.A O no hydrogen 3.392 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.868 N/A ALA 41.A N ASP 38.A O no hydrogen 3.099 N/A ARG 45.A NH1 ASP 62.A OD1 no hydrogen 2.526 N/A ARG 45.A NH2 ASP 62.A OD1 no hydrogen 3.205 N/A GLU 46.A N THR 65.A OG1 no hydrogen 2.970 N/A GLU 47.A N ARG 36.A O no hydrogen 2.888 N/A ARG 49.A N PHE 34.A O no hydrogen 2.796 N/A ILE 53.A N ALA 50.A O no hydrogen 3.372 N/A GLU 54.A N PRO 51.A O no hydrogen 3.203 N/A GLN 55.A NE2 TRP 52.A O no hydrogen 3.073 N/A GLU 56.A N ILE 53.A O no hydrogen 3.076 N/A TYR 60.A N GLY 57.A O no hydrogen 2.954 N/A TYR 60.A OH TYR 172.A OH no hydrogen 2.648 N/A TRP 61.A NE1 GLU 56.A O no hydrogen 2.993 N/A ASP 62.A N PRO 58.A O no hydrogen 2.921 N/A ARG 63.A N GLU 59.A O no hydrogen 2.893 N/A ASN 64.A N TYR 60.A O no hydrogen 2.976 N/A ASN 64.A ND2 GLU 46.A OE1 no hydrogen 2.855 N/A THR 65.A N TRP 61.A O no hydrogen 2.951 N/A THR 65.A OG1 TRP 61.A O no hydrogen 2.729 N/A GLN 66.A N ASP 62.A O no hydrogen 3.058 N/A ILE 67.A N ARG 63.A O no hydrogen 3.000 N/A TYR 68.A N ASN 64.A O no hydrogen 2.936 N/A TYR 68.A OH GLU 46.A OE2 no hydrogen 2.632 N/A LYS 69.A N THR 65.A O no hydrogen 2.954 N/A ALA 70.A N GLN 66.A O no hydrogen 2.984 N/A GLN 71.A N ILE 67.A O no hydrogen 2.849 N/A GLN 71.A NE2 GLN 71.A O no hydrogen 3.376 N/A GLN 71.A NE2 ASP 75.A OD1 no hydrogen 3.053 N/A ALA 72.A N TYR 68.A O no hydrogen 2.839 N/A GLN 73.A N LYS 69.A O no hydrogen 3.205 N/A THR 74.A N ALA 70.A O no hydrogen 2.953 N/A THR 74.A OG1 ALA 70.A O no hydrogen 3.094 N/A ASP 75.A N GLN 71.A O no hydrogen 2.828 N/A ARG 76.A N ALA 72.A O no hydrogen 3.057 N/A ARG 76.A NE PRO 21.A O no hydrogen 3.222 N/A ARG 76.A NH2 PRO 21.A O no hydrogen 2.655 N/A GLU 77.A N.A GLN 73.A O no hydrogen 3.146 N/A GLU 77.A N.B GLN 73.A O no hydrogen 3.130 N/A SER 78.A N THR 74.A O no hydrogen 2.861 N/A SER 78.A OG THR 74.A O no hydrogen 3.148 N/A LEU 79.A N ASP 75.A O no hydrogen 2.832 N/A ARG 80.A N ARG 76.A O no hydrogen 3.128 N/A ASN 81.A N GLU 77.A O.A no hydrogen 2.912 N/A ASN 81.A N GLU 77.A O.B no hydrogen 2.930 N/A LEU 82.A N SER 78.A O no hydrogen 2.800 N/A ARG 83.A N LEU 79.A O no hydrogen 3.042 N/A GLY 84.A N ARG 80.A O no hydrogen 3.299 N/A TYR 85.A N ASN 81.A O no hydrogen 2.929 N/A TYR 86.A N LEU 82.A O no hydrogen 3.131 N/A TYR 86.A OH ASP 138.A OD2 no hydrogen 2.543 N/A ASN 87.A N GLY 84.A O no hydrogen 3.071 N/A GLN 88.A N ARG 83.A O no hydrogen 2.887 N/A ALA 91.A N SER 89.A OG no hydrogen 3.112 N/A HIS 94.A N SER 14.A OG no hydrogen 2.940 N/A HIS 94.A ND1 ASP 120.A OD2 no hydrogen 2.689 N/A THR 95.A N ASP 120.A OD1 no hydrogen 2.858 N/A LEU 96.A N SER 12.A O.A no hydrogen 2.846 N/A LEU 96.A N SER 12.A O.B no hydrogen 2.816 N/A GLN 97.A N ALA 118.A O no hydrogen 2.910 N/A SER 98.A N TYR 10.A O no hydrogen 2.959 N/A MET 99.A N GLN 116.A O no hydrogen 2.931 N/A TYR 100.A N TYR 8.A O no hydrogen 3.139 N/A TYR 100.A OH TYR 10.A OH no hydrogen 2.674 N/A GLY 101.A N HIS 114.A O no hydrogen 3.004 N/A CYS 102.A N MET 6.A O no hydrogen 3.076 N/A ASP 103.A N ARG 112.A O no hydrogen 2.915 N/A VAL 104.A N HIS 4.A O no hydrogen 2.832 N/A GLY 105.A N ARG 109.A O no hydrogen 3.000 N/A GLY 108.A N GLY 105.A O no hydrogen 2.915 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 3.067 N/A LEU 111.A N ASP 103.A O no hydrogen 2.770 N/A ARG 112.A NE GLY 113.A O no hydrogen 2.968 N/A ARG 112.A NH1 GLY 113.A O no hydrogen 3.170 N/A HIS 114.A N GLY 101.A O no hydrogen 2.857 N/A GLN 116.A N MET 99.A O no hydrogen 2.907 N/A TYR 117.A N ILE 125.A O no hydrogen 2.888 N/A ALA 118.A N GLN 97.A O no hydrogen 2.906 N/A TYR 119.A N LYS 122.A O no hydrogen 2.885 N/A TYR 119.A OH GLN 88.A OE1 no hydrogen 2.650 N/A ASP 120.A N THR 95.A O no hydrogen 2.859 N/A LYS 122.A N TYR 119.A O no hydrogen 3.091 N/A TYR 124.A N TYR 117.A O no hydrogen 2.879 N/A TYR 124.A OH THR 144.A OG1 no hydrogen 2.740 N/A ILE 125.A N TYR 117.A O no hydrogen 3.452 N/A ALA 126.A N THR 135.A O no hydrogen 3.067 N/A LEU 127.A N ASN 115.A O no hydrogen 2.865 N/A ASN 128.A N SER 133.A O no hydrogen 2.844 N/A ASN 128.A ND2 SER 133.A OG no hydrogen 2.782 N/A LEU 131.A N ASN 128.A O no hydrogen 2.897 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.796 N/A SER 133.A N ASP 130.A OD1 no hydrogen 3.072 N/A SER 133.A OG ASP 130.A OD1 no hydrogen 3.126 N/A SER 133.A OG ASP 130.A OD2 no hydrogen 2.655 N/A THR 135.A N ALA 126.A O no hydrogen 2.877 N/A THR 135.A OG1 ASN 128.A OD1 no hydrogen 2.650 N/A ALA 137.A N TYR 124.A O no hydrogen 2.950 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.874 N/A GLN 142.A N ASP 138.A O no hydrogen 3.026 N/A ILE 143.A N ALA 140.A O no hydrogen 2.869 N/A THR 144.A N ALA 140.A O no hydrogen 3.443 N/A THR 144.A OG1 TYR 124.A OH no hydrogen 2.740 N/A GLN 145.A N.A ALA 141.A O no hydrogen 2.796 N/A GLN 145.A N.B ALA 141.A O no hydrogen 2.820 N/A GLN 145.A NE2.A GLU 149.A OE2 no hydrogen 2.826 N/A ARG 146.A N GLN 142.A O no hydrogen 2.938 N/A LYS 147.A N ILE 143.A O no hydrogen 2.998 N/A LYS 147.A NZ TYR 85.A OH no hydrogen 2.980 N/A TRP 148.A N THR 144.A O no hydrogen 2.841 N/A GLU 149.A N GLN 145.A O.A no hydrogen 2.797 N/A GLU 149.A N GLN 145.A O.B no hydrogen 2.807 N/A ALA 150.A N ARG 146.A O no hydrogen 2.961 N/A ALA 151.A N LYS 147.A O no hydrogen 3.082 N/A ARG 152.A N GLU 149.A O no hydrogen 3.102 N/A ARG 152.A NH1 GLU 155.A OE2 no hydrogen 2.833 N/A VAL 153.A N TRP 148.A O no hydrogen 3.050 N/A GLU 155.A N ARG 152.A O no hydrogen 3.154 N/A ASP 157.A N VAL 153.A O no hydrogen 3.097 N/A ARG 158.A N ALA 154.A O no hydrogen 2.790 N/A ARG 158.A NE GLU 162.A OE1 no hydrogen 2.901 N/A ALA 159.A N GLU 155.A O no hydrogen 3.020 N/A TYR 160.A N GLN 156.A O no hydrogen 3.011 N/A LEU 161.A N ASP 157.A O no hydrogen 2.950 N/A GLU 162.A N ARG 158.A O no hydrogen 2.923 N/A GLY 163.A N ALA 159.A O no hydrogen 2.999 N/A CYS 165.A N TYR 160.A O no hydrogen 2.847 N/A GLU 167.A N GLY 163.A O no hydrogen 2.915 N/A TRP 168.A N THR 164.A O no hydrogen 2.935 N/A LEU 169.A N CYS 165.A O no hydrogen 2.929 N/A ARG 170.A N VAL 166.A O no hydrogen 2.965 N/A ARG 170.A NH2 GLY 108.A O no hydrogen 3.016 N/A ARG 171.A N GLU 167.A O no hydrogen 3.128 N/A ARG 171.A NE GLU 56.A OE1 no hydrogen 3.442 N/A ARG 171.A NE GLU 56.A OE2 no hydrogen 2.816 N/A ARG 171.A NH2 GLU 56.A OE1 no hydrogen 3.076 N/A ARG 171.A NH2 GLU 56.A OE2 no hydrogen 3.126 N/A TYR 172.A N TRP 168.A O no hydrogen 2.864 N/A LEU 173.A N LEU 169.A O no hydrogen 2.910 N/A GLU 174.A N ARG 170.A O no hydrogen 3.095 N/A ASN 175.A N ARG 171.A O no hydrogen 2.938 N/A GLY 176.A N TYR 172.A O no hydrogen 2.745 N/A LYS 177.A N GLU 174.A O no hydrogen 3.283 N/A LYS 177.A NZ GLU 174.A OE2 no hydrogen 2.841 N/A THR 179.A N GLY 176.A O no hydrogen 3.030 N/A THR 179.A OG1 GLY 176.A O no hydrogen 3.174 N/A LEU 180.A N GLY 176.A O no hydrogen 2.804 N/A GLU 181.A N LYS 177.A O no hydrogen 3.163 N/A ARG 182.A N THR 179.A O no hydrogen 3.169 N/A ARG 182.A NE ASP 184.A OD1 no hydrogen 2.881 N/A ARG 182.A NH1 ASP 178.A O no hydrogen 2.931 N/A ARG 182.A NH2 ASP 184.A OD2 no hydrogen 3.302 N/A ASP 184.A N TYR 210.A O no hydrogen 2.838 N/A LYS 187.A N LEU 207.A O no hydrogen 2.808 N/A HIS 189.A N TRP 205.A O no hydrogen 3.263 N/A THR 191.A N ARG 203.A O no hydrogen 2.869 N/A THR 191.A OG1 HIS 193.A NE2 no hydrogen 2.661 N/A THR 191.A OG1 ARG 203.A O no hydrogen 3.512 N/A HIS 192.A NE2 GLU 255.A OE2 no hydrogen 2.991 N/A HIS 193.A N THR 201.A O no hydrogen 2.782 N/A HIS 193.A NE2 THR 191.A OG1 no hydrogen 2.661 N/A ILE 195.A N GLU 199.A O no hydrogen 2.975 N/A SER 196.A N GLU 199.A O no hydrogen 3.199 N/A HIS 198.A N SER 196.A OG no hydrogen 3.141 N/A ALA 200.A N VAL 250.A O no hydrogen 2.981 N/A THR 201.A N HIS 193.A O no hydrogen 2.809 N/A LEU 202.A N VAL 248.A O no hydrogen 2.880 N/A ARG 203.A N THR 191.A O no hydrogen 2.890 N/A CYS 204.A N ALA 246.A O no hydrogen 2.785 N/A CYS 204.A SG.B ALA 246.A O no hydrogen 3.863 N/A TRP 205.A N HIS 189.A O no hydrogen 2.853 N/A ALA 206.A N LYS 244.A O no hydrogen 2.928 N/A LEU 207.A N LYS 187.A O no hydrogen 2.895 N/A GLY 208.A N PHE 242.A O no hydrogen 3.056 N/A PHE 209.A N PHE 242.A O no hydrogen 3.353 N/A TYR 210.A N ASP 184.A O no hydrogen 2.986 N/A TYR 210.A OH THR 32.A OG1 no hydrogen 2.836 N/A ALA 212.A N ASP 31.A OD2 no hydrogen 2.891 N/A THR 215.A N GLN 263.A O no hydrogen 3.001 N/A THR 217.A N HIS 261.A O no hydrogen 2.943 N/A TRP 218.A NE1 ALA 246.A O no hydrogen 2.937 N/A GLN 219.A N THR 259.A O no hydrogen 2.776 N/A GLN 219.A NE2 ASP 224.A OD1 no hydrogen 3.158 N/A ARG 220.A N GLU 223.A O no hydrogen 2.965 N/A ARG 220.A NH1 GLU 254.A OE1 no hydrogen 3.146 N/A ARG 220.A NH2 GLU 254.A OE1 no hydrogen 2.777 N/A ARG 220.A NH2 TYR 258.A OH no hydrogen 2.812 N/A ASP 221.A N ARG 257.A O no hydrogen 2.911 N/A GLU 223.A N ARG 220.A O no hydrogen 2.957 N/A GLN 225.A N TRP 218.A O no hydrogen 3.007 N/A ASP 228.A N GLN 225.A O no hydrogen 3.102 N/A THR 229.A N THR 226.A O no hydrogen 3.378 N/A THR 229.A OG1 GLN 225.A O no hydrogen 2.632 N/A GLU 230.A N ALA 247.A O no hydrogen 2.834 N/A VAL 232.A N TRP 245.A O no hydrogen 3.242 N/A ARG 235.A N GLN 243.A O no hydrogen 2.953 N/A ARG 235.A NE GLN 243.A OE1 no hydrogen 2.884 N/A ARG 235.A NH2 GLN 243.A OE1 no hydrogen 3.052 N/A ALA 237.A N THR 241.A O no hydrogen 2.840 N/A ARG 240.A NE ASP 184.A OD2 no hydrogen 3.310 N/A ARG 240.A NH1 THR 179.A O no hydrogen 3.468 N/A ARG 240.A NH1 ARG 182.A O no hydrogen 2.927 N/A ARG 240.A NH1 ASP 184.A OD2 no hydrogen 2.840 N/A ARG 240.A NH2 THR 179.A O no hydrogen 2.990 N/A THR 241.A N ASP 239.A OD1 no hydrogen 3.047 N/A THR 241.A OG1 ASP 239.A OD1 no hydrogen 2.669 N/A PHE 242.A N PHE 209.A O no hydrogen 2.845 N/A GLN 243.A N ARG 235.A O no hydrogen 2.870 N/A LYS 244.A N ALA 206.A O no hydrogen 2.946 N/A LYS 244.A NZ VAL 232.A O no hydrogen 2.839 N/A LYS 244.A NZ THR 234.A OG1 no hydrogen 2.974 N/A ALA 246.A N CYS 204.A O no hydrogen 2.972 N/A ALA 247.A N GLU 230.A O no hydrogen 2.801 N/A VAL 248.A N LEU 202.A O no hydrogen 2.945 N/A VAL 250.A N ALA 200.A O no hydrogen 2.777 N/A SER 252.A N HIS 198.A O no hydrogen 2.887 N/A SER 252.A OG ASP 197.A O no hydrogen 3.354 N/A GLY 253.A N GLU 255.A OE1 no hydrogen 2.997 N/A GLU 254.A N PRO 251.A O no hydrogen 3.004 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.827 N/A GLN 256.A NE2 TRP 275.A O no hydrogen 2.969 N/A ARG 257.A N GLU 254.A O no hydrogen 2.935 N/A ARG 257.A NE ASP 221.A OD1 no hydrogen 2.817 N/A ARG 257.A NE ASP 221.A OD2 no hydrogen 3.409 N/A ARG 257.A NH2 ASP 221.A OD2 no hydrogen 2.706 N/A TYR 258.A N GLU 255.A O no hydrogen 3.141 N/A THR 259.A N GLN 219.A O no hydrogen 2.928 N/A CYS 260.A N LEU 273.A O no hydrogen 2.862 N/A CYS 260.A SG THR 217.A O no hydrogen 3.764 N/A HIS 261.A N THR 217.A O no hydrogen 2.775 N/A VAL 262.A N LEU 271.A O no hydrogen 2.917 N/A GLN 263.A N THR 215.A O no hydrogen 2.853 N/A HIS 264.A NE2 PRO 211.A O no hydrogen 2.911 N/A GLY 266.A N HIS 264.A ND1 no hydrogen 2.970 N/A LEU 267.A N HIS 264.A O no hydrogen 2.906 N/A LEU 271.A N VAL 262.A O no hydrogen 2.996 N/A LEU 273.A N CYS 260.A O no hydrogen 2.781 N/A