Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 2.979 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.694 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.925 N/A MET 5.A N CYS 101.A O no hydrogen 2.922 N/A LYS 6.A N TYR 27.A O no hydrogen 2.948 N/A TYR 7.A N TYR 99.A O no hydrogen 2.876 N/A PHE 8.A N VAL 25.A O no hydrogen 2.915 N/A TYR 9.A N LYS 97.A O no hydrogen 2.860 N/A THR 10.A N ILE 23.A O no hydrogen 2.863 N/A SER 11.A N ILE 95.A O no hydrogen 2.919 N/A SER 11.A OG HIS 74.A ND1 no hydrogen 2.747 N/A VAL 12.A N ARG 21.A O no hydrogen 2.942 N/A SER 13.A N HIS 93.A O no hydrogen 2.926 N/A SER 13.A OG HIS 93.A O no hydrogen 3.433 N/A ARG 14.A NE GLU 19.A O no hydrogen 3.011 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.712 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.444 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.684 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 3.361 N/A ARG 17.A N ARG 14.A O no hydrogen 2.880 N/A ARG 21.A N VAL 12.A O no hydrogen 2.899 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.127 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.692 N/A PHE 22.A N SER 38.A OG no hydrogen 2.796 N/A ILE 23.A N THR 10.A O no hydrogen 2.880 N/A SER 24.A N PHE 36.A O no hydrogen 2.833 N/A VAL 25.A N PHE 8.A O no hydrogen 2.960 N/A GLY 26.A N VAL 34.A O no hydrogen 3.155 N/A TYR 27.A N LYS 6.A O no hydrogen 2.877 N/A VAL 28.A N THR 31.A O no hydrogen 2.918 N/A ASP 29.A N SER 4.A O no hydrogen 2.777 N/A THR 31.A N VAL 28.A O no hydrogen 2.877 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.680 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.249 N/A PHE 33.A N GLY 26.A O no hydrogen 2.891 N/A ARG 35.A N GLU 46.A O no hydrogen 3.041 N/A ARG 35.A NH1 GLU 46.A OE2 no hydrogen 3.564 N/A PHE 36.A N SER 24.A O no hydrogen 2.890 N/A SER 38.A N PHE 22.A O no hydrogen 2.906 N/A SER 38.A OG PHE 22.A O no hydrogen 3.391 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.786 N/A ALA 40.A N ASP 37.A O no hydrogen 2.896 N/A GLU 45.A N THR 64.A OG1 no hydrogen 3.013 N/A GLU 46.A N ARG 35.A O no hydrogen 2.830 N/A ARG 48.A N PHE 33.A O no hydrogen 2.770 N/A ARG 48.A NH1 GLU 46.A OE1 no hydrogen 3.418 N/A ARG 48.A NH1 PRO 47.A O no hydrogen 2.868 N/A ARG 48.A NH2 GLU 46.A OE1 no hydrogen 3.140 N/A VAL 52.A N ALA 49.A O no hydrogen 3.135 N/A GLU 53.A N ALA 49.A O no hydrogen 3.241 N/A GLU 55.A N VAL 52.A O no hydrogen 2.943 N/A TYR 59.A N GLY 56.A O no hydrogen 3.101 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.568 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.947 N/A GLU 61.A N PRO 57.A O no hydrogen 2.915 N/A GLU 62.A N GLU 58.A O no hydrogen 2.934 N/A ALA 63.A N TYR 59.A O no hydrogen 2.897 N/A THR 64.A N TRP 60.A O no hydrogen 2.917 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.788 N/A ARG 65.A N GLU 61.A O no hydrogen 2.953 N/A ARG 66.A N GLU 62.A O no hydrogen 2.908 N/A ARG 66.A NH1 GLU 163.A OE1 no hydrogen 3.385 N/A ARG 66.A NH2 GLU 163.A OE1 no hydrogen 3.355 N/A ALA 67.A N ALA 63.A O no hydrogen 2.875 N/A LYS 68.A N THR 64.A O no hydrogen 2.945 N/A GLU 69.A N ARG 65.A O no hydrogen 2.918 N/A ALA 70.A N ARG 66.A O no hydrogen 2.869 N/A ALA 71.A N ALA 67.A O no hydrogen 2.906 N/A GLN 72.A N LYS 68.A O no hydrogen 2.959 N/A THR 73.A N GLU 69.A O no hydrogen 2.905 N/A THR 73.A OG1 GLU 69.A O no hydrogen 3.184 N/A HIS 74.A N ALA 70.A O no hydrogen 2.905 N/A HIS 74.A ND1 SER 11.A OG no hydrogen 2.747 N/A ARG 75.A N ALA 71.A O no hydrogen 2.903 N/A GLU 76.A N GLN 72.A O no hydrogen 2.954 N/A ASN 77.A N THR 73.A O no hydrogen 2.868 N/A LEU 78.A N HIS 74.A O no hydrogen 2.879 N/A ARG 79.A N ARG 75.A O no hydrogen 3.029 N/A ARG 79.A NH2 GLU 76.A OE1 no hydrogen 2.892 N/A THR 80.A N GLU 76.A O no hydrogen 2.932 N/A THR 80.A OG1 GLU 76.A O no hydrogen 3.119 N/A ALA 81.A N ASN 77.A O no hydrogen 2.855 N/A LEU 82.A N LEU 78.A O no hydrogen 2.960 N/A ARG 83.A N ARG 79.A O no hydrogen 3.063 N/A TYR 84.A N THR 80.A O no hydrogen 2.858 N/A TYR 85.A N ALA 81.A O no hydrogen 2.929 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.668 N/A ASN 86.A N ARG 83.A O no hydrogen 3.175 N/A GLN 87.A N LEU 82.A O no hydrogen 2.894 N/A ALA 90.A N SER 88.A OG no hydrogen 2.861 N/A GLY 91.A N SER 88.A O no hydrogen 3.391 N/A SER 92.A OG SER 13.A O no hydrogen 2.683 N/A HIS 93.A N SER 13.A OG no hydrogen 2.800 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.689 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.861 N/A ILE 95.A N SER 11.A O no hydrogen 2.913 N/A GLN 96.A N ALA 117.A O no hydrogen 2.957 N/A LYS 97.A N TYR 9.A O no hydrogen 2.919 N/A LYS 97.A NZ HIS 114.A NE2 no hydrogen 3.320 N/A MET 98.A N GLN 115.A O no hydrogen 2.890 N/A TYR 99.A N TYR 7.A O no hydrogen 3.048 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.622 N/A GLY 100.A N TYR 113.A O no hydrogen 2.944 N/A CYS 101.A N MET 5.A O no hydrogen 2.937 N/A ASP 102.A N ARG 111.A O no hydrogen 2.872 N/A LEU 103.A N HIS 3.A O no hydrogen 2.837 N/A GLY 104.A N ARG 108.A O no hydrogen 2.967 N/A GLY 107.A N GLY 104.A O no hydrogen 2.883 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.208 N/A LEU 110.A N ASP 102.A O no hydrogen 2.709 N/A TYR 113.A N GLY 100.A O no hydrogen 2.896 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.782 N/A HIS 114.A NE2 TYR 152.A OH no hydrogen 2.885 N/A GLN 115.A N MET 98.A O no hydrogen 2.931 N/A SER 116.A N ILE 124.A O no hydrogen 2.892 N/A SER 116.A OG ILE 124.A O no hydrogen 3.420 N/A ALA 117.A N GLN 96.A O no hydrogen 2.900 N/A TYR 118.A N LYS 121.A O no hydrogen 2.827 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.593 N/A ASP 119.A N THR 94.A O no hydrogen 2.786 N/A LYS 121.A N TYR 118.A O no hydrogen 3.207 N/A TYR 123.A N SER 116.A O no hydrogen 2.687 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.698 N/A ILE 124.A N SER 116.A O no hydrogen 3.082 N/A ALA 125.A N THR 134.A O no hydrogen 2.983 N/A LEU 126.A N HIS 114.A O no hydrogen 2.807 N/A ASN 127.A N SER 132.A O no hydrogen 2.730 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.806 N/A LEU 130.A N ASN 127.A O no hydrogen 2.913 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.683 N/A SER 132.A N ASP 129.A OD1 no hydrogen 2.854 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.154 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.654 N/A THR 134.A N ALA 125.A O no hydrogen 2.863 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.521 N/A ALA 136.A N TYR 123.A O no hydrogen 2.926 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.766 N/A GLN 141.A N ASP 137.A O no hydrogen 3.198 N/A GLN 141.A N MET 138.A O no hydrogen 3.097 N/A ASN 142.A N ALA 139.A O no hydrogen 3.166 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.698 N/A GLN 144.A N ALA 140.A O no hydrogen 2.884 N/A ARG 145.A N GLN 141.A O no hydrogen 2.901 N/A ARG 145.A NH2 ASN 142.A OD1 no hydrogen 2.810 N/A LYS 146.A N ASN 142.A O no hydrogen 2.971 N/A TRP 147.A N THR 143.A O no hydrogen 2.894 N/A GLU 148.A N GLN 144.A O no hydrogen 2.903 N/A GLY 149.A N ARG 145.A O no hydrogen 2.924 N/A ASN 150.A N LYS 146.A O no hydrogen 3.051 N/A TYR 152.A N TRP 147.A O no hydrogen 3.017 N/A TYR 152.A OH HIS 114.A NE2 no hydrogen 2.885 N/A ARG 155.A N ARG 151.A O no hydrogen 3.184 N/A ARG 155.A NH1 ASN 150.A O no hydrogen 2.907 N/A PHE 156.A N TYR 152.A O no hydrogen 2.903 N/A ARG 157.A N ALA 153.A O no hydrogen 2.896 N/A ALA 158.A N GLU 154.A O no hydrogen 2.938 N/A TYR 159.A N ARG 155.A O no hydrogen 3.043 N/A LEU 160.A N PHE 156.A O no hydrogen 2.867 N/A GLU 161.A N ARG 157.A O no hydrogen 2.914 N/A GLY 162.A N TYR 159.A O no hydrogen 3.075 N/A CYS 164.A N TYR 159.A O no hydrogen 3.036 N/A CYS 164.A SG TYR 159.A OH no hydrogen 3.588 N/A GLU 166.A N GLY 162.A O no hydrogen 3.155 N/A TRP 167.A N GLU 163.A O no hydrogen 2.904 N/A LEU 168.A N CYS 164.A O no hydrogen 2.948 N/A ARG 169.A N LEU 165.A O no hydrogen 2.916 N/A ARG 169.A NH2 GLY 107.A O no hydrogen 2.550 N/A ARG 170.A N GLU 166.A O no hydrogen 2.936 N/A TYR 171.A N TRP 167.A O no hydrogen 2.869 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.568 N/A LEU 172.A N LEU 168.A O no hydrogen 2.928 N/A GLU 173.A N ARG 169.A O no hydrogen 2.922 N/A ASN 174.A N ARG 170.A O no hydrogen 2.883 N/A GLY 175.A N TYR 171.A O no hydrogen 2.958 N/A THR 178.A N GLY 175.A O no hydrogen 3.144 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.155 N/A LEU 179.A N GLY 175.A O no hydrogen 2.767 N/A GLN 180.A N LYS 176.A O no hydrogen 2.822 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 2.889 N/A LYS 186.A N LEU 206.A O no hydrogen 2.874 N/A HIS 188.A N TRP 204.A O no hydrogen 3.030 N/A THR 190.A N ARG 202.A O no hydrogen 2.878 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.635 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.528 N/A HIS 191.A NE2 GLU 254.A OE2 no hydrogen 2.828 N/A HIS 192.A N THR 200.A O no hydrogen 2.865 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.635 N/A VAL 194.A N GLU 198.A O no hydrogen 2.916 N/A SER 195.A N GLU 198.A O no hydrogen 3.158 N/A HIS 197.A N SER 195.A OG no hydrogen 3.078 N/A GLU 198.A N SER 195.A OG no hydrogen 3.274 N/A ALA 199.A N VAL 249.A O no hydrogen 2.934 N/A THR 200.A N HIS 192.A O no hydrogen 2.835 N/A LEU 201.A N VAL 247.A O no hydrogen 2.889 N/A ARG 202.A N THR 190.A O no hydrogen 2.891 N/A CYS 203.A N GLY 245.A O no hydrogen 2.837 N/A TRP 204.A N HIS 188.A O no hydrogen 2.841 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 2.922 N/A ALA 205.A N LYS 243.A O no hydrogen 2.864 N/A LEU 206.A N LYS 186.A O no hydrogen 2.890 N/A PHE 208.A N PHE 241.A O no hydrogen 3.194 N/A TYR 209.A N ASP 183.A O no hydrogen 2.927 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.680 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.837 N/A THR 214.A N GLN 262.A O no hydrogen 2.935 N/A THR 216.A N HIS 260.A O no hydrogen 2.944 N/A TRP 217.A NE1 GLY 245.A O no hydrogen 2.751 N/A GLN 218.A N THR 258.A O no hydrogen 2.879 N/A ARG 219.A N GLU 222.A O no hydrogen 2.864 N/A ASP 220.A N ARG 256.A O no hydrogen 2.842 N/A GLU 222.A N ARG 219.A O no hydrogen 2.900 N/A GLN 224.A N TRP 217.A O no hydrogen 2.891 N/A THR 228.A N THR 225.A O no hydrogen 3.245 N/A THR 228.A OG1 THR 225.A O no hydrogen 2.763 N/A GLU 229.A N ALA 246.A O no hydrogen 2.882 N/A VAL 231.A N TRP 244.A O no hydrogen 3.267 N/A ARG 234.A N GLN 242.A O no hydrogen 2.897 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.924 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.243 N/A GLY 236.A N THR 240.A O no hydrogen 2.842 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.146 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.694 N/A PHE 241.A N PHE 208.A O no hydrogen 2.805 N/A GLN 242.A N ARG 234.A O no hydrogen 2.726 N/A LYS 243.A N ALA 205.A O no hydrogen 2.925 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.768 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.189 N/A GLY 245.A N CYS 203.A O no hydrogen 2.944 N/A ALA 246.A N GLU 229.A O no hydrogen 2.865 N/A VAL 247.A N LEU 201.A O no hydrogen 2.898 N/A VAL 248.A N ASP 227.A O no hydrogen 3.063 N/A VAL 249.A N ALA 199.A O no hydrogen 2.854 N/A SER 251.A N HIS 197.A O no hydrogen 3.013 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 2.785 N/A GLU 253.A N PRO 250.A O no hydrogen 3.041 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.796 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 3.558 N/A ARG 256.A N GLU 253.A O no hydrogen 3.094 N/A ARG 256.A NE ASP 220.A OD1 no hydrogen 3.094 N/A ARG 256.A NE ASP 220.A OD2 no hydrogen 3.304 N/A ARG 256.A NH1 ASP 220.A OD2 no hydrogen 2.860 N/A TYR 257.A N GLU 254.A O no hydrogen 3.133 N/A THR 258.A N GLN 218.A O no hydrogen 2.913 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.647 N/A CYS 259.A N LEU 272.A O no hydrogen 2.871 N/A CYS 259.A SG THR 216.A O no hydrogen 3.729 N/A HIS 260.A N THR 216.A O no hydrogen 2.865 N/A HIS 260.A NE2 THR 258.A OG1 no hydrogen 2.647 N/A VAL 261.A N LEU 270.A O no hydrogen 3.184 N/A GLN 262.A N THR 214.A O no hydrogen 2.909 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.940 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 2.880 N/A LEU 266.A N HIS 263.A O no hydrogen 2.879 N/A LEU 270.A N VAL 261.A O no hydrogen 2.979 N/A LEU 272.A N CYS 259.A O no hydrogen 2.862 N/A ARG 273.A NE GLN 255.A O no hydrogen 3.081 N/A