Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uix_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ILE 20.A O no hydrogen 2.948 N/A GLY 5.A N SER 18.A O no hydrogen 2.652 N/A LEU 8.A N VAL 16.A O no hydrogen 2.602 N/A GLY 9.A N VAL 16.A O no hydrogen 3.226 N/A GLY 11.A N GLY 14.A O no hydrogen 3.000 N/A GLY 14.A N GLY 11.A O no hydrogen 2.967 N/A SER 15.A N HIS 32.A O no hydrogen 2.880 N/A VAL 16.A N GLY 9.A O no hydrogen 2.864 N/A TYR 17.A N ILE 30.A O no hydrogen 2.750 N/A SER 18.A N PRO 6.A O no hydrogen 2.806 N/A GLY 19.A N VAL 28.A O no hydrogen 2.952 N/A ILE 20.A N GLN 3.A O no hydrogen 2.931 N/A ARG 21.A N LEU 26.A O no hydrogen 2.738 N/A ARG 21.A NE ASP 24.A OD1 no hydrogen 3.131 N/A ARG 21.A NH2 ASP 24.A OD2 no hydrogen 2.652 N/A VAL 22.A N GLN 1.A O no hydrogen 2.795 N/A ASN 25.A N ARG 21.A O no hydrogen 2.805 N/A LEU 26.A N ASP 24.A OD1 no hydrogen 3.170 N/A VAL 28.A N GLY 19.A O no hydrogen 2.873 N/A ALA 29.A N LEU 81.A O no hydrogen 2.800 N/A ILE 30.A N TYR 17.A O no hydrogen 2.714 N/A LYS 31.A N LEU 79.A O no hydrogen 2.928 N/A LYS 31.A NZ PHE 13.A O no hydrogen 3.170 N/A LYS 31.A NZ GLU 50.A OE1 no hydrogen 2.885 N/A HIS 32.A N SER 15.A O no hydrogen 2.802 N/A VAL 33.A N PHE 77.A O no hydrogen 3.055 N/A LYS 35.A N ASP 75.A O no hydrogen 2.740 N/A LYS 35.A NZ GLU 72.A OE2 no hydrogen 2.934 N/A LYS 35.A NZ ARG 73.A O no hydrogen 2.768 N/A LYS 35.A NZ PRO 74.A O no hydrogen 2.971 N/A ARG 37.A N GLU 34.A O no hydrogen 2.922 N/A ILE 38.A N LYS 35.A O no hydrogen 3.088 N/A GLY 42.A N VAL 47.A O no hydrogen 2.849 N/A LEU 44.A N THR 45.A O no hydrogen 3.227 N/A VAL 47.A N GLY 42.A O no hydrogen 3.029 N/A MET 49.A N ASP 40.A O no hydrogen 3.013 N/A VAL 51.A N PRO 48.A O no hydrogen 2.960 N/A VAL 52.A N PRO 48.A O no hydrogen 3.464 N/A LEU 53.A N MET 49.A O no hydrogen 2.807 N/A LEU 54.A N GLU 50.A O no hydrogen 2.902 N/A LYS 55.A N VAL 51.A O no hydrogen 2.955 N/A LYS 56.A N VAL 52.A O no hydrogen 3.141 N/A LYS 56.A NZ CYS 122.A O no hydrogen 3.257 N/A VAL 57.A N LEU 53.A O no hydrogen 3.133 N/A SER 58.A OG LEU 54.A O no hydrogen 2.626 N/A ILE 65.A N LEU 145.A O no hydrogen 3.111 N/A ARG 66.A N GLU 82.A OE1 no hydrogen 2.847 N/A ARG 66.A NE SER 58.A O no hydrogen 3.206 N/A ARG 66.A NH2 SER 58.A O no hydrogen 3.370 N/A LEU 67.A N SER 58.A OG no hydrogen 3.007 N/A LEU 68.A N ILE 80.A O no hydrogen 2.717 N/A ASP 69.A N ILE 80.A O no hydrogen 3.430 N/A TRP 70.A N ASP 69.A OD1 no hydrogen 2.968 N/A PHE 71.A N VAL 78.A O no hydrogen 2.798 N/A ARG 73.A N SER 76.A O no hydrogen 2.740 N/A PHE 77.A N VAL 33.A O no hydrogen 3.003 N/A VAL 78.A N PHE 71.A O no hydrogen 2.868 N/A LEU 79.A N LYS 31.A O no hydrogen 2.798 N/A ILE 80.A N ASP 69.A O no hydrogen 2.737 N/A LEU 81.A N ALA 29.A O no hydrogen 2.849 N/A GLU 82.A N ARG 66.A O no hydrogen 3.053 N/A ARG 83.A NE VAL 28.A O no hydrogen 2.682 N/A ARG 83.A NH2 GLY 19.A O no hydrogen 2.890 N/A GLN 88.A N ILE 136.A O no hydrogen 3.152 N/A GLN 88.A NE2 GLU 96.A OE2 no hydrogen 3.263 N/A LEU 90.A N ILE 134.A O no hydrogen 2.878 N/A PHE 91.A N ASP 131.A O no hydrogen 3.361 N/A ASP 92.A N ASP 89.A OD2 no hydrogen 2.747 N/A PHE 93.A N ASP 89.A O no hydrogen 2.959 N/A ILE 94.A N LEU 90.A O no hydrogen 2.810 N/A THR 95.A N PHE 91.A O no hydrogen 2.892 N/A THR 95.A OG1 PHE 91.A O no hydrogen 2.780 N/A GLU 96.A N ASP 92.A O no hydrogen 2.855 N/A ARG 97.A N PHE 93.A O no hydrogen 2.958 N/A GLY 98.A N ILE 94.A O no hydrogen 2.704 N/A LEU 100.A N MET 196.A O no hydrogen 2.811 N/A ALA 105.A N GLN 101.A O no hydrogen 2.891 N/A ARG 106.A N GLU 102.A O no hydrogen 2.766 N/A ARG 106.A NE TRP 250.A O no hydrogen 2.634 N/A ARG 106.A NH2 TRP 250.A O no hydrogen 3.311 N/A SER 107.A N GLU 103.A O no hydrogen 3.252 N/A SER 107.A OG THR 260.A OG1 no hydrogen 2.645 N/A PHE 108.A N LEU 104.A O no hydrogen 2.986 N/A PHE 109.A N ALA 105.A O no hydrogen 2.736 N/A TRP 110.A N ARG 106.A O no hydrogen 2.896 N/A GLN 111.A N SER 107.A O no hydrogen 3.206 N/A GLN 111.A NE2 GLY 141.A O no hydrogen 2.889 N/A VAL 112.A N PHE 108.A O no hydrogen 2.982 N/A LEU 113.A N PHE 109.A O no hydrogen 2.966 N/A GLU 114.A N TRP 110.A O no hydrogen 2.912 N/A ALA 115.A N GLN 111.A O no hydrogen 3.029 N/A VAL 116.A N VAL 112.A O no hydrogen 2.787 N/A ARG 117.A N LEU 113.A O no hydrogen 2.849 N/A ARG 117.A NH1 GLN 246.A OE1 no hydrogen 2.822 N/A HIS 118.A N GLU 114.A O no hydrogen 3.044 N/A HIS 118.A NE2 VAL 57.A O no hydrogen 3.022 N/A CYS 119.A N ALA 115.A O no hydrogen 3.074 N/A CYS 119.A SG ALA 115.A O no hydrogen 3.420 N/A HIS 120.A N VAL 116.A O no hydrogen 3.020 N/A ASN 121.A N ARG 117.A O no hydrogen 2.862 N/A CYS 122.A N HIS 118.A O no hydrogen 3.008 N/A CYS 122.A SG LYS 56.A O no hydrogen 3.432 N/A CYS 122.A SG HIS 118.A O no hydrogen 3.342 N/A GLY 123.A N HIS 120.A O no hydrogen 2.931 N/A VAL 124.A N CYS 119.A O no hydrogen 2.782 N/A LEU 125.A N ALA 152.A O no hydrogen 2.799 N/A HIS 126.A NE2 ILE 146.A O no hydrogen 2.858 N/A ARG 127.A NE SER 150.A O no hydrogen 2.781 N/A ARG 127.A NH1 SER 150.A O no hydrogen 3.193 N/A ARG 127.A NH1 GLY 151.A O no hydrogen 3.139 N/A ARG 127.A NH1 ASP 161.A OD2 no hydrogen 3.326 N/A ARG 127.A NH2 ASP 161.A OD2 no hydrogen 3.043 N/A ARG 127.A NH2 TYR 179.A OH no hydrogen 3.029 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 2.922 N/A LYS 130.A NZ GLU 132.A OE2 no hydrogen 3.343 N/A LYS 130.A NZ THR 165.A OG1 no hydrogen 2.674 N/A ASN 133.A N LYS 130.A O no hydrogen 2.869 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.819 N/A ASN 133.A ND2 ASP 128.A OD2 no hydrogen 3.050 N/A ILE 134.A N ASP 131.A O no hydrogen 3.314 N/A LEU 135.A N LYS 144.A O no hydrogen 2.756 N/A ILE 136.A N GLN 88.A O no hydrogen 2.783 N/A ASP 137.A N GLU 142.A O no hydrogen 2.797 N/A LEU 138.A N PRO 86.A O no hydrogen 3.166 N/A ARG 140.A N ASP 137.A OD1 no hydrogen 3.277 N/A GLY 141.A N ASP 137.A O no hydrogen 2.852 N/A GLU 142.A N ASP 137.A O no hydrogen 3.409 N/A LEU 143.A N GLN 111.A OE1 no hydrogen 2.826 N/A LYS 144.A N LEU 135.A O no hydrogen 2.797 N/A LEU 145.A N GLY 63.A O no hydrogen 2.828 N/A ILE 146.A N ASN 133.A O no hydrogen 2.951 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.008 N/A SER 150.A OG ASP 163.A O no hydrogen 3.130 N/A GLY 151.A N PHE 148.A O no hydrogen 2.877 N/A ALA 152.A N LEU 125.A O no hydrogen 2.868 N/A LEU 154.A N GLY 123.A O no hydrogen 2.849 N/A LYS 155.A NZ VAL 158.A O no hydrogen 3.237 N/A TYR 159.A N TYR 179.A O no hydrogen 2.925 N/A TYR 159.A OH LEU 153.A O no hydrogen 2.855 N/A THR 165.A N ASP 128.A OD1 no hydrogen 3.092 N/A THR 165.A OG1 ASP 128.A OD1 no hydrogen 2.632 N/A ARG 166.A NE ASP 206.A OD1 no hydrogen 2.881 N/A ARG 166.A NE ASP 206.A OD2 no hydrogen 3.302 N/A ARG 166.A NH2 ASP 206.A OD2 no hydrogen 2.769 N/A TYR 168.A N THR 165.A O no hydrogen 2.995 N/A SER 169.A N ARG 166.A O no hydrogen 2.895 N/A SER 169.A OG ARG 166.A O no hydrogen 2.743 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.726 N/A ILE 174.A N PRO 170.A O no hydrogen 3.152 N/A ARG 175.A N PRO 171.A O no hydrogen 2.809 N/A ARG 175.A NE TYR 176.A OH no hydrogen 3.500 N/A ARG 175.A NH1 TYR 176.A OH no hydrogen 3.253 N/A TYR 176.A N GLU 172.A O no hydrogen 2.985 N/A HIS 177.A N TRP 173.A O no hydrogen 2.882 N/A TYR 179.A N TYR 159.A O no hydrogen 3.248 N/A TYR 179.A OH ASP 161.A O no hydrogen 2.616 N/A ALA 184.A N HIS 180.A O no hydrogen 3.124 N/A ALA 185.A N GLY 181.A O no hydrogen 2.869 N/A VAL 186.A N ARG 182.A O no hydrogen 2.943 N/A TRP 187.A N SER 183.A O no hydrogen 3.134 N/A SER 188.A N ALA 184.A O no hydrogen 3.170 N/A SER 188.A OG ALA 185.A O no hydrogen 2.647 N/A LEU 189.A N ALA 185.A O no hydrogen 2.982 N/A GLY 190.A N VAL 186.A O no hydrogen 2.962 N/A ILE 191.A N TRP 187.A O no hydrogen 3.139 N/A LEU 192.A N SER 188.A O no hydrogen 2.945 N/A LEU 193.A N LEU 189.A O no hydrogen 2.825 N/A TYR 194.A N GLY 190.A O no hydrogen 2.994 N/A TYR 194.A OH PHE 215.A O.A no hydrogen 2.464 N/A TYR 194.A OH PHE 215.A O.B no hydrogen 2.553 N/A ASP 195.A N ILE 191.A O no hydrogen 2.834 N/A MET 196.A N LEU 192.A O no hydrogen 2.924 N/A VAL 197.A N LEU 193.A O no hydrogen 3.177 N/A CYS 198.A N TYR 194.A O no hydrogen 2.893 N/A GLY 199.A N ASP 195.A O no hydrogen 2.810 N/A ILE 201.A N ASP 200.A OD1 no hydrogen 2.815 N/A GLU 204.A N GLU 208.A OE1 no hydrogen 2.898 N/A HIS 205.A N GLU 208.A OE1 no hydrogen 2.623 N/A GLU 208.A N HIS 205.A O no hydrogen 2.842 N/A ILE 209.A N HIS 205.A O no hydrogen 3.070 N/A ILE 210.A N ASP 206.A O no hydrogen 2.920 N/A ARG 211.A N GLU 207.A O no hydrogen 3.092 N/A GLY 212.A N GLU 208.A O no hydrogen 2.878 N/A ARG 217.A NE TYR 194.A OH no hydrogen 3.148 N/A SER 221.A N GLU 102.A OE2 no hydrogen 2.781 N/A SER 221.A OG GLU 102.A OE1 no hydrogen 2.662 N/A SER 221.A OG GLU 102.A OE2 no hydrogen 3.485 N/A CYS 224.A N SER 221.A OG no hydrogen 3.219 N/A GLN 225.A N SER 221.A O no hydrogen 2.855 N/A GLN 225.A NE2 VAL 220.A O no hydrogen 3.296 N/A HIS 226.A N SER 222.A O no hydrogen 2.819 N/A HIS 226.A ND1 HIS 248.A NE2 no hydrogen 2.973 N/A LEU 227.A N GLU 223.A O no hydrogen 2.967 N/A ILE 228.A N CYS 224.A O no hydrogen 2.895 N/A ARG 229.A N GLN 225.A O no hydrogen 2.953 N/A ARG 229.A NH1 VAL 214.A O no hydrogen 2.595 N/A ARG 229.A NH2 GLN 225.A OE1 no hydrogen 2.886 N/A TRP 230.A N HIS 226.A O no hydrogen 2.932 N/A CYS 231.A N LEU 227.A O no hydrogen 2.969 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.451 N/A LEU 232.A N ILE 228.A O no hydrogen 2.990 N/A ALA 233.A N TRP 230.A O no hydrogen 3.091 N/A ASP 238.A N ARG 235.A O no hydrogen 2.878 N/A ARG 239.A N PRO 236.A O no hydrogen 3.134 N/A ARG 239.A NE ALA 233.A O no hydrogen 2.772 N/A ARG 239.A NH1 GLU 172.A OE1 no hydrogen 2.816 N/A ARG 239.A NH1 SER 183.A O no hydrogen 2.865 N/A ARG 239.A NH2 GLU 172.A OE1 no hydrogen 3.549 N/A ARG 239.A NH2 GLU 172.A OE2 no hydrogen 2.822 N/A ARG 239.A NH2 ALA 233.A O no hydrogen 3.152 N/A THR 241.A N GLU 244.A OE1 no hydrogen 2.948 N/A THR 241.A OG1 GLU 244.A OE1 no hydrogen 3.438 N/A GLU 244.A N THR 241.A OG1 no hydrogen 3.039 N/A ILE 245.A N THR 241.A O no hydrogen 2.991 N/A GLN 246.A N PHE 242.A O no hydrogen 3.079 N/A GLN 246.A NE2 GLU 114.A OE2 no hydrogen 2.796 N/A ASN 247.A N GLU 243.A O no hydrogen 2.909 N/A HIS 248.A N ILE 245.A O no hydrogen 3.015 N/A HIS 248.A NE2 HIS 226.A ND1 no hydrogen 2.973 N/A TRP 250.A N HIS 248.A ND1 no hydrogen 2.886 N/A TRP 250.A NE1 GLU 102.A OE1 no hydrogen 2.791 N/A MET 251.A N HIS 248.A O no hydrogen 2.944 N/A GLN 252.A N PRO 249.A O no hydrogen 3.391 N/A GLN 252.A NE2 GLN 246.A O no hydrogen 3.147 N/A GLN 252.A NE2 HIS 248.A O no hydrogen 2.765 N/A LEU 256.A N GLU 259.A OE1 no hydrogen 3.196 N/A GLN 258.A NE2 ASN 139.A O no hydrogen 3.365 N/A GLN 258.A NE2 GLN 258.A O no hydrogen 3.309 N/A THR 260.A N LEU 256.A O no hydrogen 2.887 N/A THR 260.A OG1 SER 107.A OG no hydrogen 2.645 N/A THR 260.A OG1 LEU 256.A O no hydrogen 2.796 N/A ALA 261.A N PRO 257.A O no hydrogen 2.954 N/A GLU 262.A N GLN 258.A O no hydrogen 2.960 N/A ILE 263.A N GLU 259.A O no hydrogen 2.896 N/A HIS 264.A N THR 260.A O no hydrogen 2.889 N/A HIS 264.A NE2 GLU 103.A OE1 no hydrogen 2.740 N/A LEU 265.A N ALA 261.A O no hydrogen 2.938 N/A