Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 3.029 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.929 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.739 N/A MET 5.A N CYS 101.A O no hydrogen 2.939 N/A ARG 6.A N TYR 27.A O no hydrogen 2.872 N/A ARG 6.A NH1 MET 5.A O no hydrogen 2.935 N/A ARG 6.A NH1 CYS 101.A O no hydrogen 3.274 N/A ARG 6.A NH1 ASP 102.A OD2 no hydrogen 2.743 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 3.297 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 2.911 N/A TYR 7.A N SER 99.A O no hydrogen 2.803 N/A PHE 8.A N VAL 25.A O no hydrogen 2.886 N/A GLU 9.A N GLN 97.A O no hydrogen 2.877 N/A THR 10.A N ILE 23.A O no hydrogen 2.841 N/A ALA 11.A N LEU 95.A O no hydrogen 2.853 N/A VAL 12.A N ARG 21.A O no hydrogen 2.908 N/A SER 13.A N HIS 93.A O no hydrogen 2.966 N/A LEU 17.A N ARG 14.A O no hydrogen 2.876 N/A ARG 21.A N VAL 12.A O no hydrogen 2.881 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.271 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.217 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.982 N/A TYR 22.A N SER 38.A OG no hydrogen 2.849 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.230 N/A ILE 23.A N THR 10.A O no hydrogen 2.845 N/A SER 24.A N PHE 36.A O no hydrogen 2.915 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.832 N/A VAL 25.A N PHE 8.A O no hydrogen 2.916 N/A GLY 26.A N VAL 34.A O no hydrogen 2.868 N/A TYR 27.A N ARG 6.A O no hydrogen 2.808 N/A VAL 28.A N LYS 31.A O no hydrogen 2.885 N/A ASP 29.A N SER 4.A O no hydrogen 2.864 N/A LYS 31.A N VAL 28.A O no hydrogen 2.895 N/A PHE 33.A N GLY 26.A O no hydrogen 2.959 N/A ARG 35.A N GLU 46.A O no hydrogen 2.973 N/A ARG 35.A NE GLU 32.A OE2 no hydrogen 2.740 N/A ARG 35.A NH2 GLU 32.A OE1 no hydrogen 2.983 N/A ARG 35.A NH2 GLU 32.A OE2 no hydrogen 3.268 N/A PHE 36.A N SER 24.A O no hydrogen 2.789 N/A SER 38.A N TYR 22.A O no hydrogen 2.999 N/A SER 38.A OG TYR 22.A O no hydrogen 3.354 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.913 N/A ALA 40.A N ASP 37.A O no hydrogen 3.441 N/A ARG 44.A NH1 GLU 61.A OE1 no hydrogen 3.379 N/A ARG 44.A NH2 GLU 61.A OE1 no hydrogen 3.296 N/A TYR 45.A N THR 64.A OG1 no hydrogen 2.791 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.832 N/A GLU 46.A N ARG 35.A O no hydrogen 2.930 N/A ARG 48.A N PHE 33.A O no hydrogen 2.832 N/A MET 52.A N ALA 49.A O no hydrogen 3.063 N/A GLU 53.A N PRO 50.A O no hydrogen 3.239 N/A GLU 55.A N MET 52.A O no hydrogen 3.258 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.474 N/A GLU 61.A N PRO 57.A O no hydrogen 2.934 N/A ARG 62.A N GLU 58.A O no hydrogen 2.928 N/A GLU 63.A N TYR 59.A O no hydrogen 2.885 N/A THR 64.A N TRP 60.A O no hydrogen 2.898 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.939 N/A GLN 65.A N GLU 61.A O no hydrogen 2.977 N/A LYS 66.A N ARG 62.A O no hydrogen 2.876 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 2.903 N/A ALA 67.A N GLU 63.A O no hydrogen 2.911 N/A LYS 68.A N THR 64.A O no hydrogen 3.002 N/A GLY 69.A N GLN 65.A O no hydrogen 3.013 N/A GLN 70.A N LYS 66.A O no hydrogen 2.861 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 3.324 N/A GLN 70.A NE2 GLU 9.A OE2 no hydrogen 3.342 N/A GLU 71.A N ALA 67.A O no hydrogen 2.844 N/A GLN 72.A N LYS 68.A O no hydrogen 3.061 N/A TRP 73.A N GLY 69.A O no hydrogen 2.917 N/A PHE 74.A N GLN 70.A O no hydrogen 2.884 N/A ARG 75.A N GLU 71.A O no hydrogen 2.963 N/A VAL 76.A N GLN 72.A O no hydrogen 3.032 N/A SER 77.A N TRP 73.A O no hydrogen 2.980 N/A SER 77.A OG TRP 73.A O no hydrogen 3.203 N/A LEU 78.A N PHE 74.A O no hydrogen 2.836 N/A ARG 79.A N ARG 75.A O no hydrogen 3.090 N/A ASN 80.A N VAL 76.A O no hydrogen 2.966 N/A LEU 81.A N SER 77.A O no hydrogen 2.923 N/A LEU 82.A N LEU 78.A O no hydrogen 3.062 N/A GLY 83.A N ASN 80.A O no hydrogen 2.884 N/A TYR 84.A N ASN 80.A O no hydrogen 3.050 N/A TYR 85.A N LEU 81.A O no hydrogen 3.060 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.848 N/A ASN 86.A N GLY 83.A O no hydrogen 3.233 N/A GLN 87.A N LEU 82.A O no hydrogen 2.818 N/A GLN 87.A NE2 GLU 119.A OE2 no hydrogen 3.284 N/A GLY 90.A N SER 88.A OG no hydrogen 2.735 N/A GLY 91.A N SER 88.A O no hydrogen 3.458 N/A SER 92.A OG SER 13.A O no hydrogen 2.878 N/A HIS 93.A N SER 13.A OG no hydrogen 2.875 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.726 N/A HIS 93.A NE2 SER 88.A O no hydrogen 3.214 N/A THR 94.A N GLU 119.A OE1 no hydrogen 3.291 N/A LEU 95.A N ALA 11.A O no hydrogen 2.893 N/A GLN 96.A N ALA 117.A O no hydrogen 2.890 N/A GLN 97.A N GLU 9.A O no hydrogen 2.896 N/A MET 98.A N GLN 115.A O no hydrogen 2.925 N/A SER 99.A N TYR 7.A O no hydrogen 2.996 N/A GLY 100.A N TYR 113.A O no hydrogen 2.967 N/A CYS 101.A N MET 5.A O no hydrogen 2.950 N/A ASP 102.A N ARG 111.A O no hydrogen 2.873 N/A LEU 103.A N HIS 3.A O no hydrogen 2.891 N/A GLY 104.A N ARG 108.A O no hydrogen 2.987 N/A TRP 107.A N GLY 104.A O no hydrogen 3.182 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.982 N/A LEU 110.A N ASP 102.A O no hydrogen 2.580 N/A ARG 111.A N ASP 102.A O no hydrogen 3.058 N/A ARG 111.A NH2 GLU 128.A OE1 no hydrogen 2.655 N/A TYR 113.A N GLY 100.A O no hydrogen 2.870 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 3.073 N/A GLN 115.A N MET 98.A O no hydrogen 2.920 N/A PHE 116.A N ILE 124.A O no hydrogen 2.904 N/A ALA 117.A N GLN 96.A O no hydrogen 2.882 N/A TYR 118.A N ARG 121.A O no hydrogen 2.899 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.522 N/A GLU 119.A N THR 94.A O no hydrogen 2.867 N/A ARG 121.A N TYR 118.A O no hydrogen 2.936 N/A TYR 123.A N PHE 116.A O no hydrogen 2.937 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.711 N/A ALA 125.A N THR 134.A O no hydrogen 2.961 N/A LEU 126.A N LEU 114.A O no hydrogen 2.844 N/A ASN 127.A N THR 132.A O no hydrogen 2.729 N/A ASN 127.A ND2 THR 134.A OG1 no hydrogen 2.714 N/A LEU 130.A N ASN 127.A O no hydrogen 2.811 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.670 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.785 N/A THR 132.A OG1 ASN 127.A OD1 no hydrogen 2.952 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.168 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.738 N/A THR 134.A N ALA 125.A O no hydrogen 2.895 N/A ALA 136.A N TYR 123.A O no hydrogen 2.801 N/A ALA 139.A N ASP 137.A OD2 no hydrogen 2.892 N/A GLN 141.A N ASP 137.A O no hydrogen 3.136 N/A ILE 142.A N ALA 139.A O no hydrogen 3.046 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.711 N/A ARG 144.A N ALA 140.A O no hydrogen 2.829 N/A ARG 144.A NE GLN 141.A OE1 no hydrogen 2.828 N/A ARG 144.A NH1 TRP 133.A O no hydrogen 3.101 N/A ARG 144.A NH2 GLN 141.A OE1 no hydrogen 2.695 N/A ARG 145.A N GLN 141.A O no hydrogen 2.939 N/A ARG 145.A NH1 GLU 148.A OE1 no hydrogen 2.842 N/A LYS 146.A N ILE 142.A O no hydrogen 2.964 N/A TRP 147.A N THR 143.A O no hydrogen 2.839 N/A GLU 148.A N ARG 144.A O no hydrogen 2.887 N/A GLN 149.A N ARG 145.A O no hydrogen 2.968 N/A SER 150.A N LYS 146.A O no hydrogen 2.950 N/A SER 150.A OG LYS 146.A O no hydrogen 3.360 N/A SER 150.A OG TRP 147.A O no hydrogen 3.416 N/A GLY 151.A N GLU 148.A O no hydrogen 3.259 N/A ALA 152.A N TRP 147.A O no hydrogen 3.238 N/A GLU 154.A N GLY 151.A O no hydrogen 3.048 N/A TYR 156.A N ALA 152.A O no hydrogen 3.179 N/A LYS 157.A N ALA 153.A O no hydrogen 2.855 N/A LYS 157.A NZ GLU 161.A OE1 no hydrogen 3.549 N/A LYS 157.A NZ GLU 161.A OE2 no hydrogen 3.457 N/A ALA 158.A N GLU 154.A O no hydrogen 2.913 N/A TYR 159.A N HIS 155.A O no hydrogen 3.129 N/A LEU 160.A N TYR 156.A O no hydrogen 2.846 N/A GLU 161.A N LYS 157.A O no hydrogen 2.991 N/A GLY 162.A N TYR 159.A O no hydrogen 3.060 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.631 N/A CYS 164.A N TYR 159.A O no hydrogen 3.104 N/A VAL 165.A N GLY 162.A O no hydrogen 3.191 N/A GLU 166.A N GLY 162.A O no hydrogen 3.294 N/A TRP 167.A N GLU 163.A O no hydrogen 2.830 N/A LEU 168.A N CYS 164.A O no hydrogen 2.997 N/A HIS 169.A N VAL 165.A O no hydrogen 2.858 N/A HIS 169.A ND1 VAL 165.A O no hydrogen 3.125 N/A ARG 170.A N GLU 166.A O no hydrogen 3.001 N/A TYR 171.A N TRP 167.A O no hydrogen 2.803 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.474 N/A LEU 172.A N LEU 168.A O no hydrogen 2.881 N/A LYS 173.A N HIS 169.A O no hydrogen 3.063 N/A ASN 174.A N ARG 170.A O no hydrogen 2.870 N/A GLY 175.A N TYR 171.A O no hydrogen 2.914 N/A LEU 179.A N GLY 175.A O no hydrogen 2.898 N/A LEU 180.A N ASN 176.A O no hydrogen 3.035 N/A LEU 180.A N ALA 177.A O no hydrogen 2.980 N/A ARG 181.A N THR 178.A O no hydrogen 2.981 N/A ARG 181.A NH2 GLY 223.A O no hydrogen 3.305 N/A ASP 183.A N TYR 203.A O no hydrogen 2.888 N/A LYS 186.A N LEU 200.A O no hydrogen 2.857 N/A LYS 186.A NZ SER 184.A O no hydrogen 2.617 N/A HIS 188.A N TRP 198.A O no hydrogen 3.038 N/A THR 190.A N ARG 196.A O no hydrogen 2.852 N/A LEU 195.A N VAL 231.A O no hydrogen 2.914 N/A ARG 196.A N THR 190.A O no hydrogen 2.818 N/A CYS 197.A N ALA 229.A O no hydrogen 2.822 N/A TRP 198.A N HIS 188.A O no hydrogen 2.782 N/A ALA 199.A N LYS 227.A O no hydrogen 2.882 N/A LEU 200.A N LYS 186.A O no hydrogen 2.887 N/A GLY 201.A N PHE 225.A O no hydrogen 2.956 N/A PHE 202.A N PHE 225.A O no hydrogen 3.332 N/A TYR 203.A N ASP 183.A O no hydrogen 3.159 N/A THR 208.A N TYR 246.A O no hydrogen 2.969 N/A THR 210.A N ARG 244.A O no hydrogen 2.944 N/A TRP 211.A NE1 ALA 229.A O no hydrogen 2.878 N/A GLU 213.A N SER 230.A O no hydrogen 3.123 N/A VAL 215.A N TRP 228.A O no hydrogen 3.385 N/A ARG 218.A N GLN 226.A O no hydrogen 3.101 N/A ARG 218.A NH1 GLN 226.A OE1 no hydrogen 3.224 N/A ALA 220.A N THR 224.A O no hydrogen 2.943 N/A THR 224.A N ASP 222.A OD1 no hydrogen 2.926 N/A THR 224.A OG1 ASP 222.A OD1 no hydrogen 2.621 N/A PHE 225.A N PHE 202.A O no hydrogen 2.821 N/A GLN 226.A N ARG 218.A O no hydrogen 2.923 N/A LYS 227.A N ALA 199.A O no hydrogen 2.940 N/A LYS 227.A NZ VAL 215.A O no hydrogen 2.813 N/A ALA 229.A N CYS 197.A O no hydrogen 2.975 N/A SER 230.A N GLU 213.A O no hydrogen 2.944 N/A VAL 231.A N LEU 195.A O no hydrogen 2.896 N/A GLY 236.A N PRO 234.A O no hydrogen 2.289 N/A CYS 243.A N LEU 256.A O no hydrogen 2.871 N/A CYS 243.A SG ARG 244.A O no hydrogen 3.952 N/A ARG 244.A N THR 210.A O no hydrogen 2.905 N/A VAL 245.A N LEU 254.A O no hydrogen 3.023 N/A TYR 246.A N THR 208.A O no hydrogen 2.893 N/A HIS 247.A NE2 PRO 204.A O no hydrogen 2.976 N/A GLY 249.A N HIS 247.A ND1 no hydrogen 3.087 N/A LEU 250.A N HIS 247.A O no hydrogen 2.844 N/A LEU 254.A N VAL 245.A O no hydrogen 3.011 N/A LEU 256.A N CYS 243.A O no hydrogen 2.918 N/A