Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r7u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ARG 22.A O no hydrogen 2.918 N/A VAL 7.A N LYS 20.A O no hydrogen 2.818 N/A GLU 8.A N LYS 20.A O no hydrogen 3.361 N/A ILE 10.A N VAL 18.A O no hydrogen 2.973 N/A VAL 18.A N GLY 11.A O no hydrogen 3.073 N/A TYR 19.A N LEU 32.A O no hydrogen 2.880 N/A LYS 20.A N GLU 8.A O no hydrogen 2.707 N/A ALA 21.A N VAL 30.A O no hydrogen 2.869 N/A ARG 22.A N GLN 5.A O no hydrogen 3.059 N/A ASN 23.A N GLU 28.A O no hydrogen 2.812 N/A LYS 24.A N ASN 3.A O no hydrogen 3.295 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.816 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.923 N/A GLY 27.A N ASN 23.A O no hydrogen 2.655 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.286 N/A VAL 30.A N ALA 21.A O no hydrogen 2.795 N/A ALA 31.A N PHE 72.A O no hydrogen 2.933 N/A LEU 32.A N TYR 19.A O no hydrogen 2.757 N/A LYS 33.A N LEU 70.A O no hydrogen 2.863 N/A LYS 34.A N VAL 17.A O no hydrogen 2.989 N/A ILE 35.A N LEU 68.A O no hydrogen 2.800 N/A ARG 36.A N TYR 15.A O no hydrogen 3.315 N/A ALA 40.A N PRO 37.A O no hydrogen 2.990 N/A ILE 41.A N PRO 37.A O no hydrogen 3.033 N/A ARG 42.A N SER 38.A O no hydrogen 3.002 N/A GLU 43.A N THR 39.A O no hydrogen 3.147 N/A ILE 44.A N ALA 40.A O no hydrogen 2.836 N/A SER 45.A N ILE 41.A O no hydrogen 2.881 N/A SER 45.A OG ILE 41.A O no hydrogen 2.671 N/A LEU 46.A N ARG 42.A O no hydrogen 3.149 N/A LEU 46.A N GLU 43.A O no hydrogen 2.934 N/A LEU 47.A N ILE 44.A O no hydrogen 2.811 N/A LYS 48.A N SER 45.A O no hydrogen 3.263 N/A LYS 48.A NZ LEU 59.A O no hydrogen 3.288 N/A GLU 49.A N LEU 46.A O no hydrogen 3.090 N/A LEU 50.A N LEU 47.A O no hydrogen 3.046 N/A ASN 51.A N GLU 49.A O no hydrogen 2.851 N/A ASN 51.A ND2 LYS 48.A O no hydrogen 3.206 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 2.898 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.094 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 2.940 N/A ILE 55.A N HIS 52.A O no hydrogen 2.956 N/A VAL 56.A N LEU 135.A O no hydrogen 2.902 N/A LYS 57.A N GLU 73.A OE2 no hydrogen 2.891 N/A LEU 59.A N VAL 71.A O no hydrogen 2.745 N/A ASP 60.A N VAL 71.A O no hydrogen 3.232 N/A ILE 62.A N TYR 69.A O no hydrogen 2.927 N/A THR 64.A N LYS 67.A O no hydrogen 3.305 N/A LYS 67.A N THR 64.A O no hydrogen 2.728 N/A TYR 69.A N ILE 62.A O no hydrogen 2.940 N/A LEU 70.A N LYS 33.A O no hydrogen 2.906 N/A VAL 71.A N ASP 60.A O no hydrogen 2.874 N/A PHE 72.A N ALA 31.A O no hydrogen 2.854 N/A GLU 73.A N LYS 57.A O no hydrogen 2.911 N/A LEU 79.A N LEU 125.A O no hydrogen 2.798 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.697 N/A LYS 81.A NZ ASP 78.A OD2 no hydrogen 2.593 N/A PHE 82.A N ASP 78.A O no hydrogen 3.158 N/A MET 83.A N LEU 79.A O no hydrogen 2.761 N/A ASP 84.A N LYS 80.A O no hydrogen 3.104 N/A ALA 85.A N LYS 81.A O no hydrogen 2.917 N/A SER 86.A N PHE 82.A O no hydrogen 2.894 N/A SER 86.A N MET 83.A O no hydrogen 3.168 N/A SER 86.A OG PHE 82.A O no hydrogen 2.815 N/A ALA 87.A N ASP 84.A O no hydrogen 3.186 N/A GLY 90.A N SER 86.A O no hydrogen 2.467 N/A LEU 95.A N PRO 92.A O no hydrogen 3.004 N/A ILE 96.A N PRO 92.A O no hydrogen 3.038 N/A LYS 97.A N LEU 93.A O no hydrogen 2.819 N/A LYS 97.A NZ PHE 269.A O no hydrogen 2.957 N/A LYS 97.A NZ ASP 272.A OD1 no hydrogen 2.809 N/A SER 98.A N PRO 94.A O no hydrogen 2.997 N/A SER 98.A OG THR 274.A O no hydrogen 3.400 N/A TYR 99.A N LEU 95.A O no hydrogen 2.877 N/A LEU 100.A N ILE 96.A O no hydrogen 2.865 N/A PHE 101.A N LYS 97.A O no hydrogen 2.977 N/A GLN 102.A N SER 98.A O no hydrogen 2.881 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.575 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.035 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.909 N/A LEU 103.A N TYR 99.A O no hydrogen 2.899 N/A LEU 104.A N LEU 100.A O no hydrogen 2.909 N/A GLN 105.A N PHE 101.A O no hydrogen 3.017 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.551 N/A GLY 106.A N GLN 102.A O no hydrogen 3.016 N/A LEU 107.A N LEU 103.A O no hydrogen 2.861 N/A ALA 108.A N LEU 104.A O no hydrogen 2.795 N/A PHE 109.A N GLN 105.A O no hydrogen 3.016 N/A CYS 110.A N GLY 106.A O no hydrogen 3.022 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.583 N/A HIS 111.A N LEU 107.A O no hydrogen 2.753 N/A HIS 111.A NE2 ASP 169.A OD2 no hydrogen 2.903 N/A SER 112.A N ALA 108.A O no hydrogen 3.000 N/A SER 112.A OG ALA 108.A O no hydrogen 3.361 N/A SER 112.A OG PHE 109.A O no hydrogen 2.633 N/A HIS 113.A N CYS 110.A O no hydrogen 2.938 N/A ARG 114.A N HIS 111.A O no hydrogen 2.998 N/A VAL 115.A N CYS 110.A O no hydrogen 2.919 N/A HIS 117.A N ASP 169.A OD2 no hydrogen 2.867 N/A ARG 118.A N ASP 169.A OD1 no hydrogen 2.792 N/A LYS 121.A N ASN 124.A OD1 no hydrogen 3.084 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 3.211 N/A ASN 124.A N LYS 121.A O no hydrogen 2.932 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.878 N/A LEU 125.A N PRO 122.A O no hydrogen 3.173 N/A LEU 126.A N LYS 134.A O no hydrogen 2.851 N/A ILE 127.A N GLN 77.A O no hydrogen 2.879 N/A ASN 128.A N ALA 132.A O no hydrogen 3.285 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 2.920 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 3.143 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.125 N/A LYS 134.A N LEU 126.A O no hydrogen 2.792 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 2.633 N/A LEU 135.A N ASN 54.A O no hydrogen 2.841 N/A ALA 136.A N ASN 124.A O no hydrogen 2.840 N/A GLY 139.A N LEU 116.A O no hydrogen 3.111 N/A LEU 140.A N ASP 137.A O no hydrogen 3.362 N/A ALA 143.A N GLY 139.A O no hydrogen 3.249 N/A PHE 144.A N LEU 140.A O no hydrogen 2.962 N/A PHE 144.A N ALA 141.A O no hydrogen 3.126 N/A TYR 152.A OH GLU 179.A OE1 no hydrogen 2.617 N/A ARG 153.A N LEU 150.A O no hydrogen 3.082 N/A ARG 153.A NH1.A ARG 118.A O no hydrogen 2.992 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.714 N/A ILE 157.A N ALA 154.A O no hydrogen 3.070 N/A LEU 158.A N ALA 154.A O no hydrogen 3.302 N/A LEU 159.A N PRO 155.A O no hydrogen 2.829 N/A GLY 160.A N ILE 157.A O no hydrogen 3.071 N/A CYS 161.A N GLU 156.A O no hydrogen 2.929 N/A CYS 161.A SG.A TYR 163.A O no hydrogen 3.329 N/A ALA 167.A N SER 165.A OG no hydrogen 3.147 N/A VAL 168.A N SER 165.A O no hydrogen 3.028 N/A ASP 169.A N THR 166.A O no hydrogen 3.074 N/A TRP 171.A N ALA 167.A O no hydrogen 3.094 N/A SER 172.A N VAL 168.A O no hydrogen 3.143 N/A SER 172.A OG TYR 152.A O no hydrogen 2.596 N/A SER 172.A OG VAL 168.A O no hydrogen 3.158 N/A LEU 173.A N ASP 169.A O no hydrogen 2.919 N/A GLY 174.A N ILE 170.A O no hydrogen 2.872 N/A CYS 175.A N TRP 171.A O no hydrogen 3.013 N/A CYS 175.A SG TRP 171.A O no hydrogen 3.562 N/A ILE 176.A N SER 172.A O no hydrogen 3.011 N/A PHE 177.A N LEU 173.A O no hydrogen 2.884 N/A ALA 178.A N GLY 174.A O no hydrogen 2.986 N/A GLU 179.A N CYS 175.A O no hydrogen 3.117 N/A MET 180.A N ILE 176.A O no hydrogen 2.879 N/A VAL 181.A N PHE 177.A O no hydrogen 3.085 N/A THR 182.A N ALA 178.A O no hydrogen 2.907 N/A THR 182.A OG1 ALA 178.A O no hydrogen 3.099 N/A ARG 183.A N GLU 179.A O no hydrogen 2.850 N/A ARG 183.A NE ALA 87.A O no hydrogen 3.502 N/A ARG 183.A NH2 ALA 87.A O no hydrogen 3.381 N/A ARG 184.A N THR 182.A OG1 no hydrogen 3.272 N/A GLY 189.A N PHE 187.A O no hydrogen 2.909 N/A GLY 189.A N GLN 195.A OE1 no hydrogen 2.822 N/A ASP 190.A N ASP 194.A OD2 no hydrogen 3.019 N/A ASP 194.A N SER 191.A OG no hydrogen 2.960 N/A GLN 195.A N SER 191.A O no hydrogen 2.817 N/A GLN 195.A NE2 TRP 151.A O no hydrogen 3.222 N/A GLN 195.A NE2 PHE 187.A O no hydrogen 2.882 N/A LEU 196.A N GLU 192.A O no hydrogen 2.948 N/A PHE 197.A N ILE 193.A O no hydrogen 2.854 N/A ARG 198.A N ASP 194.A O no hydrogen 2.910 N/A ARG 198.A NE ASP 194.A OD2 no hydrogen 2.926 N/A ILE 199.A N GLN 195.A O no hydrogen 3.114 N/A PHE 200.A N LEU 196.A O no hydrogen 2.933 N/A ARG 201.A N PHE 197.A O no hydrogen 2.831 N/A THR 202.A N ARG 198.A O no hydrogen 3.353 N/A THR 202.A N ILE 199.A O no hydrogen 3.089 N/A THR 202.A OG1 ARG 198.A O no hydrogen 3.462 N/A LEU 203.A N ILE 199.A O no hydrogen 2.827 N/A GLY 204.A N PHE 200.A O no hydrogen 2.756 N/A THR 205.A N TRP 227.A O no hydrogen 2.930 N/A THR 205.A OG1 PRO 225.A O no hydrogen 2.746 N/A VAL 210.A N ASP 207.A OD1 no hydrogen 3.013 N/A TRP 211.A N ASP 207.A O no hydrogen 2.839 N/A GLY 213.A N GLU 208.A OE1 no hydrogen 2.782 N/A VAL 214.A N TRP 211.A O no hydrogen 2.949 N/A THR 215.A N GLU 208.A OE2 no hydrogen 3.130 N/A THR 215.A OG1 GLU 208.A OE2 no hydrogen 2.585 N/A SER 216.A N GLY 213.A O no hydrogen 3.037 N/A MET 217.A N VAL 214.A O no hydrogen 3.158 N/A ASP 219.A N LEU 159.A O no hydrogen 2.804 N/A TYR 220.A N MET 217.A O no hydrogen 3.160 N/A PHE 224.A N LYS 221.A O no hydrogen 2.971 N/A TRP 227.A N THR 205.A OG1 no hydrogen 2.858 N/A ARG 229.A NH1 LEU 203.A O no hydrogen 2.973 N/A GLN 230.A N THR 202.A O no hydrogen 2.949 N/A SER 233.A N ASP 231.A OD1 no hydrogen 2.719 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.713 N/A SER 233.A OG ASP 231.A OD2 no hydrogen 2.868 N/A LYS 234.A N ASP 231.A O no hydrogen 3.081 N/A VAL 235.A N PHE 232.A O no hydrogen 3.261 N/A LEU 239.A N VAL 236.A O no hydrogen 2.924 N/A GLY 243.A N ASP 240.A OD1 no hydrogen 2.855 N/A ARG 244.A N ASP 240.A O no hydrogen 2.876 N/A ARG 244.A NE GLU 241.A OE2 no hydrogen 3.046 N/A ARG 244.A NH2 GLU 241.A OE2 no hydrogen 3.008 N/A SER 245.A N GLU 241.A O no hydrogen 2.884 N/A SER 245.A OG HIS 267.A NE2 no hydrogen 3.237 N/A LEU 246.A N ASP 242.A O no hydrogen 3.085 N/A LEU 247.A N GLY 243.A O no hydrogen 2.954 N/A SER 248.A N ARG 244.A O no hydrogen 2.839 N/A SER 248.A OG ARG 244.A O no hydrogen 3.477 N/A SER 248.A OG SER 245.A O no hydrogen 2.692 N/A GLN 249.A N SER 245.A O no hydrogen 3.167 N/A MET 250.A N LEU 246.A O no hydrogen 3.039 N/A MET 250.A N LEU 247.A O no hydrogen 2.965 N/A LEU 251.A N LEU 247.A O no hydrogen 2.952 N/A LEU 251.A N SER 248.A O no hydrogen 3.307 N/A TYR 253.A OH GLY 204.A O no hydrogen 2.603 N/A ASN 256.A N ASP 254.A OD1 no hydrogen 3.001 N/A LYS 257.A N ASP 254.A O no hydrogen 2.879 N/A LYS 257.A NZ VAL 210.A O no hydrogen 3.194 N/A LYS 257.A NZ ASP 254.A OD2 no hydrogen 2.857 N/A ARG 258.A N ASP 254.A O no hydrogen 3.087 N/A ARG 258.A NE HIS 252.A O no hydrogen 2.820 N/A ARG 258.A NH1 GLU 156.A OE1 no hydrogen 3.477 N/A ARG 258.A NH1 GLU 156.A OE2 no hydrogen 2.874 N/A ARG 258.A NH1 ALA 167.A O no hydrogen 2.920 N/A ARG 258.A NH2 GLU 156.A OE1 no hydrogen 2.837 N/A ARG 258.A NH2 GLU 156.A OE2 no hydrogen 3.565 N/A ARG 258.A NH2 HIS 252.A O no hydrogen 3.269 N/A ARG 258.A NH2 TYR 253.A O no hydrogen 2.913 N/A ILE 259.A N GLN 249.A O no hydrogen 3.024 N/A ALA 263.A N SER 260.A OG no hydrogen 3.021 N/A ALA 264.A N SER 260.A O no hydrogen 2.885 N/A LEU 265.A N ALA 261.A O no hydrogen 3.051 N/A ALA 266.A N ALA 263.A O no hydrogen 3.085 N/A HIS 267.A N ALA 264.A O no hydrogen 3.006 N/A HIS 267.A NE2 SER 245.A OG no hydrogen 3.237 N/A PHE 269.A N HIS 267.A ND1 no hydrogen 2.946 N/A PHE 270.A N HIS 267.A O no hydrogen 2.962 N/A GLN 271.A N PRO 268.A O no hydrogen 3.005 N/A VAL 273.A N PHE 270.A O no hydrogen 3.210 N/A ARG 281.A NE HIS 279.A NE2 no hydrogen 2.811 N/A ARG 281.A NH2 HIS 279.A NE2 no hydrogen 3.412 N/A