Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fxq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A N LEU 2.A O no hydrogen 3.142 N/A THR 6.A OG1 LEU 2.A O no hydrogen 3.389 N/A LEU 7.A N LYS 3.A O no hydrogen 2.824 N/A GLN 8.A N LEU 4.A O no hydrogen 2.957 N/A ALA 9.A N GLN 5.A O no hydrogen 2.917 N/A LEU 10.A N THR 6.A O no hydrogen 2.831 N/A ILE 11.A N LEU 7.A O no hydrogen 2.986 N/A CYS 12.A N GLN 8.A O no hydrogen 3.064 N/A ILE 13.A N ALA 9.A O no hydrogen 2.799 N/A GLU 14.A N LEU 10.A O no hydrogen 3.103 N/A GLU 15.A N ILE 11.A O no hydrogen 3.271 N/A VAL 16.A N CYS 12.A O no hydrogen 2.794 N/A GLY 17.A N ILE 13.A O no hydrogen 2.744 N/A ARG 20.A NE GLN 30.A OE1 no hydrogen 2.870 N/A ALA 21.A N SER 18.A OG no hydrogen 2.768 N/A ALA 22.A N SER 18.A O no hydrogen 3.174 N/A ALA 23.A N LEU 19.A O no hydrogen 2.854 N/A GLN 24.A N ARG 20.A O no hydrogen 2.956 N/A LEU 25.A N ALA 21.A O no hydrogen 2.991 N/A LEU 26.A N ALA 22.A O no hydrogen 2.988 N/A HIS 27.A N GLN 24.A O no hydrogen 3.190 N/A LEU 28.A N ALA 23.A O no hydrogen 2.840 N/A GLN 30.A NE2 GLN 24.A OE1 no hydrogen 2.860 N/A ALA 32.A N SER 29.A OG no hydrogen 3.188 N/A LEU 33.A N SER 29.A O no hydrogen 2.809 N/A SER 34.A N GLN 30.A O no hydrogen 2.855 N/A ALA 35.A N PRO 31.A O no hydrogen 2.979 N/A ALA 36.A N ALA 32.A O no hydrogen 2.929 N/A ILE 37.A N LEU 33.A O no hydrogen 3.029 N/A GLN 38.A N SER 34.A O no hydrogen 3.016 N/A GLN 38.A NE2 GLN 38.A O no hydrogen 3.328 N/A GLN 38.A NE2 ASP 42.A OD1 no hydrogen 2.904 N/A GLN 39.A N ALA 35.A O no hydrogen 2.897 N/A LEU 40.A N ALA 36.A O no hydrogen 3.014 N/A GLU 41.A N ILE 37.A O no hydrogen 2.880 N/A ASP 42.A N GLN 38.A O no hydrogen 2.921 N/A GLU 43.A N GLN 39.A O no hydrogen 3.024 N/A LEU 44.A N LEU 40.A O no hydrogen 2.855 N/A LYS 45.A N ASP 42.A O no hydrogen 3.316 N/A ALA 46.A N GLU 41.A O no hydrogen 3.226 N/A LEU 48.A N GLU 41.A OE2 no hydrogen 2.747 N/A LEU 49.A N GLU 41.A OE2 no hydrogen 3.379 N/A VAL 50.A N SER 57.A O no hydrogen 2.794 N/A THR 52.A N GLY 55.A O no hydrogen 2.931 N/A GLY 55.A N THR 52.A OG1 no hydrogen 2.974 N/A VAL 56.A N GLY 17.A O no hydrogen 2.829 N/A SER 57.A N VAL 50.A O no hydrogen 2.871 N/A THR 59.A N LEU 48.A O no hydrogen 2.972 N/A THR 59.A OG1 PRO 47.A O no hydrogen 2.669 N/A GLY 62.A N THR 59.A OG1 no hydrogen 2.881 N/A GLN 63.A N THR 59.A O no hydrogen 2.863 N/A GLN 63.A NE2 LEU 58.A O no hydrogen 3.393 N/A ALA 64.A N SER 60.A O no hydrogen 3.188 N/A PHE 65.A N PHE 61.A O no hydrogen 2.874 N/A MET 66.A N GLY 62.A O no hydrogen 2.815 N/A LYS 67.A N ALA 64.A O no hydrogen 3.264 N/A ALA 69.A N PHE 65.A O no hydrogen 2.897 N/A ARG 70.A N MET 66.A O no hydrogen 2.939 N/A ARG 70.A NH2 GLU 14.A OE1 no hydrogen 2.770 N/A LEU 71.A N LYS 67.A O no hydrogen 3.349 N/A ILE 72.A N HIS 68.A O no hydrogen 2.868 N/A VAL 73.A N ALA 69.A O no hydrogen 2.826 N/A THR 74.A N ARG 70.A O no hydrogen 2.942 N/A THR 74.A OG1 ARG 70.A O no hydrogen 2.982 N/A GLU 75.A N LEU 71.A O no hydrogen 2.856 N/A SER 76.A N ILE 72.A O no hydrogen 2.977 N/A SER 76.A OG ILE 72.A O no hydrogen 2.969 N/A ARG 77.A N VAL 73.A O no hydrogen 3.085 N/A ARG 77.A NH1 GLU 81.A OE2 no hydrogen 2.810 N/A ARG 78.A N THR 74.A O no hydrogen 2.818 N/A ALA 79.A N GLU 75.A O no hydrogen 2.854 N/A GLN 80.A N SER 76.A O no hydrogen 3.038 N/A GLU 81.A N ARG 77.A O no hydrogen 2.801 N/A GLU 82.A N ARG 78.A O no hydrogen 2.866 N/A ILE 83.A N ALA 79.A O no hydrogen 2.899 N/A GLY 84.A N GLN 80.A O no hydrogen 2.858 N/A GLN 85.A N GLU 81.A O no hydrogen 2.851 N/A LEU 86.A N GLU 82.A O no hydrogen 2.855 N/A ARG 87.A N ILE 83.A O no hydrogen 2.681 N/A GLY 88.A N GLY 84.A O no hydrogen 2.819 N/A ARG 89.A N GLN 85.A O no hydrogen 3.279 N/A TRP 90.A N LEU 86.A O no hydrogen 3.152 N/A GLU 91.A N ARG 87.A O no hydrogen 2.735 N/A HIS 93.A ND1 ARG 89.A O no hydrogen 2.722 N/A ILE 94.A N THR 122.A O no hydrogen 2.944 N/A THR 95.A N ASP 143.A OD2 no hydrogen 2.868 N/A PHE 96.A N ASN 124.A O no hydrogen 3.021 N/A ALA 97.A N PHE 144.A O no hydrogen 3.198 N/A ALA 98.A N ARG 126.A O no hydrogen 2.928 N/A SER 99.A N LEU 146.A O no hydrogen 2.794 N/A ALA 103.A N SER 99.A O no hydrogen 2.831 N/A LEU 104.A N PRO 100.A O no hydrogen 2.958 N/A LEU 107.A N ILE 102.A O no hydrogen 2.883 N/A ALA 110.A N ALA 106.A O no hydrogen 2.957 N/A LEU 111.A N LEU 107.A O no hydrogen 2.690 N/A ALA 112.A N PRO 108.A O no hydrogen 3.361 N/A SER 113.A N LEU 109.A O no hydrogen 3.187 N/A SER 113.A OG LEU 109.A O no hydrogen 3.242 N/A PHE 114.A N ALA 110.A O no hydrogen 2.825 N/A ALA 115.A N LEU 111.A O no hydrogen 2.953 N/A ARG 116.A N ALA 112.A O no hydrogen 3.345 N/A ARG 116.A N SER 113.A O no hydrogen 3.252 N/A GLU 117.A N SER 113.A O no hydrogen 3.333 N/A PHE 118.A N PHE 114.A O no hydrogen 2.690 N/A VAL 121.A N PHE 118.A O no hydrogen 3.371 N/A THR 122.A N GLY 92.A O no hydrogen 2.764 N/A ASN 124.A N ILE 94.A O no hydrogen 2.823 N/A ARG 126.A N PHE 96.A O no hydrogen 3.063 N/A TYR 130.A N THR 147.A OG1 no hydrogen 3.140 N/A TYR 130.A OH ASP 153.A O no hydrogen 3.272 N/A VAL 133.A N MET 129.A O no hydrogen 2.916 N/A SER 134.A N PRO 131.A O no hydrogen 2.903 N/A LEU 137.A N VAL 133.A O no hydrogen 2.809 N/A ARG 138.A N SER 134.A O no hydrogen 2.830 N/A ARG 138.A NH1 ASP 155.A OD2 no hydrogen 2.650 N/A ASP 139.A N PRO 135.A O no hydrogen 3.009 N/A GLY 140.A N GLN 136.A O no hydrogen 3.217 N/A THR 141.A N ASP 139.A OD1 no hydrogen 3.165 N/A THR 141.A OG1 GLN 136.A O no hydrogen 3.370 N/A THR 141.A OG1 ASP 139.A OD1 no hydrogen 2.981 N/A LEU 142.A N GLN 136.A O no hydrogen 3.122 N/A ASP 143.A N THR 95.A O no hydrogen 2.837 N/A ALA 145.A N LEU 273.A O no hydrogen 2.940 N/A LEU 146.A N ALA 97.A O no hydrogen 2.740 N/A THR 147.A N TYR 271.A O no hydrogen 2.998 N/A THR 147.A OG1 ALA 148.A O no hydrogen 3.087 N/A ALA 149.A N THR 269.A O no hydrogen 3.378 N/A ASP 153.A N HIS 150.A O no hydrogen 2.788 N/A ILE 154.A N LYS 151.A O no hydrogen 3.504 N/A ASP 155.A N TYR 130.A OH no hydrogen 3.008 N/A ASP 157.A N ASP 155.A OD1 no hydrogen 2.810 N/A LEU 158.A N ASP 155.A O no hydrogen 2.989 N/A GLU 159.A N ARG 274.A O no hydrogen 2.630 N/A GLN 161.A N VAL 272.A O no hydrogen 3.008 N/A LEU 163.A N ILE 270.A O no hydrogen 2.742 N/A TYR 164.A N ILE 270.A O no hydrogen 3.275 N/A SER 166.A N PRO 268.A O no hydrogen 2.905 N/A SER 166.A OG PRO 268.A O no hydrogen 2.601 N/A VAL 169.A N MET 242.A O no hydrogen 2.806 N/A VAL 171.A N THR 240.A O no hydrogen 2.984 N/A GLY 172.A N CYS 257.A O no hydrogen 3.105 N/A GLN 173.A NE2 ASP 237.A OD1 no hydrogen 3.177 N/A ARG 174.A N GLN 255.A O no hydrogen 2.894 N/A GLN 175.A N GLN 173.A OE1 no hydrogen 2.729 N/A HIS 176.A N GLN 173.A O no hydrogen 2.914 N/A HIS 176.A NE2 ASP 237.A O no hydrogen 2.812 N/A MET 178.A N HIS 176.A ND1 no hydrogen 3.067 N/A ALA 179.A N HIS 176.A O no hydrogen 3.113 N/A ALA 181.A N MET 178.A O no hydrogen 2.952 N/A THR 182.A N GLU 186.A OE1 no hydrogen 2.718 N/A THR 182.A OG1 GLU 186.A OE1 no hydrogen 3.231 N/A ARG 183.A N GLU 186.A OE1 no hydrogen 2.922 N/A ARG 183.A NH1 ASP 263.A OD1 no hydrogen 2.914 N/A LEU 184.A N ASP 263.A OD2 no hydrogen 2.820 N/A GLU 186.A N ARG 183.A O no hydrogen 3.015 N/A LEU 187.A N LEU 184.A O no hydrogen 2.795 N/A GLN 188.A N ALA 185.A O no hydrogen 3.142 N/A GLN 188.A NE2 ALA 185.A O no hydrogen 3.002 N/A CYS 190.A N LEU 187.A O no hydrogen 2.873 N/A ARG 191.A NH2 LEU 219.A O no hydrogen 3.251 N/A TRP 192.A N LYS 218.A O no hydrogen 3.008 N/A ALA 193.A N LEU 239.A O no hydrogen 2.785 N/A PHE 194.A N LEU 221.A O no hydrogen 2.778 N/A SER 195.A OG THR 241.A O no hydrogen 2.736 N/A SER 196.A OG GLU 224.A O no hydrogen 2.922 N/A ARG 199.A NE ASP 153.A OD2 no hydrogen 3.301 N/A ARG 199.A NH2 ASP 153.A OD2 no hydrogen 2.957 N/A GLY 200.A N ALA 197.A O no hydrogen 2.902 N/A GLY 202.A N SER 195.A O no hydrogen 2.813 N/A ALA 203.A N GLY 200.A O no hydrogen 2.983 N/A ARG 206.A N GLY 202.A O no hydrogen 3.009 N/A ARG 206.A NE GLU 216.A OE1 no hydrogen 2.665 N/A ARG 206.A NH2 GLU 216.A OE1 no hydrogen 3.274 N/A ARG 206.A NH2 GLU 216.A OE2 no hydrogen 2.896 N/A ASN 207.A N ALA 203.A O no hydrogen 2.841 N/A ALA 208.A N ILE 204.A O no hydrogen 2.923 N/A PHE 209.A N ILE 205.A O no hydrogen 2.881 N/A ALA 210.A N ARG 206.A O no hydrogen 2.923 N/A ARG 211.A N ASN 207.A O no hydrogen 3.024 N/A TYR 212.A N ALA 208.A O no hydrogen 3.042 N/A TYR 212.A OH ALA 264.A O no hydrogen 2.876 N/A GLY 213.A N ALA 210.A O no hydrogen 2.943 N/A LEU 214.A N PHE 209.A O no hydrogen 2.954 N/A GLY 220.A N TRP 192.A O no hydrogen 2.799 N/A LEU 221.A N TRP 192.A O no hydrogen 3.051 N/A CYS 223.A N PHE 194.A O no hydrogen 2.899 N/A CYS 223.A SG SER 225.A O no hydrogen 3.395 N/A ALA 228.A N SER 225.A OG no hydrogen 3.050 N/A LEU 229.A N SER 225.A O no hydrogen 3.044 N/A VAL 232.A N ALA 228.A O no hydrogen 3.127 N/A VAL 233.A N LEU 229.A O no hydrogen 3.047 N/A ALA 234.A N PRO 230.A O no hydrogen 2.799 N/A HIS 235.A N GLY 231.A O no hydrogen 3.098 N/A SER 236.A N VAL 233.A O no hydrogen 3.144 N/A SER 236.A OG VAL 232.A O no hydrogen 3.058 N/A SER 236.A OG VAL 233.A O no hydrogen 3.442 N/A LEU 238.A N SER 236.A OG no hydrogen 3.145 N/A LEU 239.A N ARG 191.A O no hydrogen 2.987 N/A THR 240.A N VAL 171.A O no hydrogen 3.033 N/A THR 240.A OG1 ALA 193.A O no hydrogen 2.663 N/A THR 240.A OG1 THR 241.A O no hydrogen 3.397 N/A THR 241.A OG1 SER 195.A OG no hydrogen 3.387 N/A MET 242.A N VAL 169.A O no hydrogen 2.961 N/A ARG 244.A N ASP 167.A O no hydrogen 3.040 N/A ARG 244.A NE ASP 167.A OD2 no hydrogen 2.935 N/A TYR 247.A N PRO 243.A O no hydrogen 3.199 N/A GLU 248.A N ARG 244.A O no hydrogen 2.915 N/A ARG 249.A N LEU 246.A O no hydrogen 3.149 N/A ARG 249.A NH1 LEU 104.A O no hydrogen 3.206 N/A ASN 250.A ND2 LEU 246.A O no hydrogen 2.960 N/A PHE 252.A N ASN 250.A OD1 no hydrogen 2.742 N/A LYS 253.A NZ GLU 248.A O no hydrogen 2.787 N/A GLN 255.A N PHE 252.A O no hydrogen 2.899 N/A LEU 256.A N LYS 253.A O no hydrogen 3.320 N/A CYS 257.A N GLY 172.A O no hydrogen 2.888 N/A CYS 257.A SG ARG 174.A O no hydrogen 4.013 N/A CYS 257.A SG LEU 256.A O no hydrogen 3.363 N/A SER 258.A N TYR 247.A OH no hydrogen 2.961 N/A ILE 259.A N ILE 170.A O no hydrogen 2.900 N/A LEU 261.A N ILE 259.A O no hydrogen 2.956 N/A GLN 262.A N THR 182.A O no hydrogen 2.819 N/A ASN 267.A ND2 SER 166.A O no hydrogen 3.141 N/A ILE 270.A N TYR 164.A O no hydrogen 2.782 N/A TYR 271.A N THR 147.A O no hydrogen 2.802 N/A VAL 272.A N GLN 161.A O no hydrogen 2.857 N/A LEU 273.A N ALA 145.A O no hydrogen 2.775 N/A ARG 274.A N GLU 159.A O no hydrogen 3.157 N/A ARG 274.A NE GLU 159.A OE1 no hydrogen 3.528 N/A ARG 274.A NH2 GLU 159.A OE2 no hydrogen 3.297 N/A ARG 275.A NE ASP 277.A OD2 no hydrogen 3.338 N/A ARG 275.A NH1 ASP 277.A OD2 no hydrogen 3.501 N/A HIS 276.A N ASP 157.A O no hydrogen 3.135 N/A LEU 278.A N ARG 275.A O no hydrogen 3.416 N/A ALA 284.A N THR 281.A OG1 no hydrogen 2.977 N/A ALA 285.A N THR 281.A O no hydrogen 2.946 N/A GLY 286.A N PRO 282.A O no hydrogen 2.746 N/A LEU 287.A N ALA 283.A O no hydrogen 2.758 N/A ILE 288.A N ALA 284.A O no hydrogen 2.999 N/A ARG 289.A N ALA 285.A O no hydrogen 2.961 N/A TRP 290.A N GLY 286.A O no hydrogen 2.970 N/A TRP 290.A NE1 GLU 117.A OE1 no hydrogen 2.708 N/A ILE 291.A N LEU 287.A O no hydrogen 2.828 N/A GLN 292.A N ILE 288.A O no hydrogen 2.849 N/A GLN 292.A NE2 GLN 161.A OE1 no hydrogen 2.991 N/A GLN 292.A NE2 PRO 162.A O no hydrogen 3.229 N/A HIS 293.A N ARG 289.A O no hydrogen 2.895 N/A HIS 294.A N TRP 290.A O no hydrogen 3.115 N/A ALA 295.A N GLN 292.A O no hydrogen 3.056 N/A