Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3l9r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 VAL 1.A O no hydrogen 3.074 N/A THR 6.A N ASP 31.A OD1 no hydrogen 3.246 N/A SER 7.A OG ASP 31.A OD1 no hydrogen 2.651 N/A PHE 8.A N CYS 100.A O no hydrogen 3.090 N/A HIS 9.A N TRP 29.A O no hydrogen 2.793 N/A LEU 10.A N ALA 98.A O no hydrogen 2.808 N/A MET 11.A N SER 27.A O no hydrogen 2.775 N/A GLN 12.A N VAL 96.A O no hydrogen 2.884 N/A GLN 12.A NE2 SER 14.A OG no hydrogen 2.739 N/A ILE 13.A N GLN 25.A O no hydrogen 2.855 N/A SER 14.A N ILE 94.A O no hydrogen 2.872 N/A SER 14.A OG ASN 24.A OD1 no hydrogen 2.658 N/A THR 15.A N GLN 23.A O no hydrogen 2.764 N/A PHE 16.A N PHE 92.A O no hydrogen 2.829 N/A VAL 17.A N TRP 21.A O no hydrogen 2.968 N/A ASN 18.A N TRP 21.A O no hydrogen 3.467 N/A THR 20.A N ASN 18.A OD1 no hydrogen 3.259 N/A THR 20.A OG1 ASN 18.A OD1 no hydrogen 3.306 N/A TRP 21.A N ASN 18.A O no hydrogen 3.303 N/A GLN 23.A N THR 15.A O no hydrogen 2.872 N/A ASN 24.A ND2 THR 76.A OG1 no hydrogen 2.847 N/A GLN 25.A N ILE 13.A O no hydrogen 2.826 N/A SER 27.A N MET 11.A O no hydrogen 3.025 N/A GLY 28.A N HIS 36.A O no hydrogen 3.028 N/A TRP 29.A N HIS 9.A O no hydrogen 2.871 N/A TRP 29.A NE1 SER 27.A OG no hydrogen 2.632 N/A LEU 30.A N LEU 33.A O no hydrogen 2.937 N/A ASP 31.A N SER 7.A O no hydrogen 3.018 N/A LEU 33.A N LEU 30.A O no hydrogen 2.778 N/A GLN 34.A NE2 HIS 36.A O no hydrogen 2.790 N/A ILE 35.A N GLY 28.A O no hydrogen 2.839 N/A HIS 36.A N GLY 28.A O no hydrogen 3.036 N/A HIS 36.A NE2 SER 52.A O no hydrogen 3.082 N/A GLY 37.A N ILE 46.A O no hydrogen 3.091 N/A GLU 39.A N THR 44.A O no hydrogen 2.751 N/A SER 40.A OG ASN 24.A O no hydrogen 2.449 N/A SER 42.A OG THR 44.A OG1 no hydrogen 2.501 N/A GLY 43.A N GLU 39.A O no hydrogen 2.921 N/A THR 44.A N GLU 39.A O no hydrogen 3.085 N/A THR 44.A OG1 SER 42.A OG no hydrogen 2.501 N/A ILE 46.A N GLY 37.A O no hydrogen 3.052 N/A LEU 48.A N ILE 35.A O no hydrogen 3.254 N/A LYS 49.A N SER 52.A OG no hydrogen 3.084 N/A LYS 49.A NZ GLU 177.A OE2 no hydrogen 2.563 N/A TRP 51.A NE1 GLU 177.A OE1 no hydrogen 3.043 N/A SER 52.A N LYS 49.A O no hydrogen 3.167 N/A SER 52.A OG ILE 35.A O no hydrogen 2.779 N/A SER 52.A OG LYS 49.A O no hydrogen 3.406 N/A LYS 53.A NZ ASP 58.A OD2 no hydrogen 3.211 N/A GLY 54.A N TRP 51.A O no hydrogen 2.735 N/A PHE 56.A N LYS 53.A O no hydrogen 2.907 N/A GLU 60.A N SER 57.A OG no hydrogen 3.252 N/A VAL 61.A N SER 57.A O no hydrogen 2.953 N/A THR 62.A N ASP 58.A O no hydrogen 2.781 N/A THR 62.A OG1 ASP 58.A O no hydrogen 3.123 N/A GLU 63.A N ASP 59.A O no hydrogen 2.992 N/A LEU 64.A N GLU 60.A O no hydrogen 3.012 N/A VAL 65.A N VAL 61.A O no hydrogen 2.876 N/A ASP 66.A N THR 62.A O no hydrogen 2.897 N/A LEU 67.A N GLU 63.A O no hydrogen 2.954 N/A PHE 68.A N LEU 64.A O no hydrogen 2.871 N/A ARG 69.A N VAL 65.A O no hydrogen 2.912 N/A ARG 69.A NH2 GLY 43.A O no hydrogen 2.867 N/A ALA 70.A N ASP 66.A O no hydrogen 3.074 N/A TYR 71.A N LEU 67.A O no hydrogen 3.024 N/A TYR 71.A OH GLN 12.A OE1 no hydrogen 2.546 N/A PHE 72.A N PHE 68.A O no hydrogen 3.068 N/A ILE 73.A N ARG 69.A O no hydrogen 3.378 N/A GLY 74.A N ALA 70.A O no hydrogen 2.891 N/A PHE 75.A N TYR 71.A O no hydrogen 2.668 N/A THR 76.A N PHE 72.A O no hydrogen 3.037 N/A THR 76.A OG1 PHE 72.A O no hydrogen 2.679 N/A ARG 77.A N ILE 73.A O no hydrogen 3.242 N/A GLU 78.A N GLY 74.A O no hydrogen 2.823 N/A VAL 79.A N PHE 75.A O no hydrogen 3.018 N/A GLN 80.A N THR 76.A O no hydrogen 3.050 N/A GLN 80.A NE2 ASN 18.A O no hydrogen 2.902 N/A ASP 81.A N ARG 77.A O no hydrogen 3.029 N/A ARG 82.A N GLU 78.A O no hydrogen 3.116 N/A ARG 82.A N VAL 79.A O no hydrogen 2.887 N/A ARG 82.A NE GLU 78.A OE2 no hydrogen 2.770 N/A ARG 82.A NH1 GLU 85.A OE1 no hydrogen 2.896 N/A ARG 82.A NH2 GLU 78.A OE2 no hydrogen 3.371 N/A PHE 86.A N ARG 82.A O no hydrogen 3.031 N/A GLN 87.A N ASN 84.A O no hydrogen 2.881 N/A LEU 88.A N VAL 83.A O no hydrogen 2.875 N/A TYR 90.A OH GLN 80.A OE1 no hydrogen 2.507 N/A PHE 92.A N PHE 16.A O no hydrogen 2.879 N/A ILE 94.A N SER 14.A O no hydrogen 2.927 N/A GLN 95.A N ALA 114.A O no hydrogen 3.060 N/A VAL 96.A N GLN 12.A O no hydrogen 3.021 N/A THR 97.A N ARG 112.A O no hydrogen 2.928 N/A ALA 98.A N LEU 10.A O no hydrogen 3.098 N/A GLY 99.A N SER 110.A O no hydrogen 3.181 N/A CYS 100.A N PHE 8.A O no hydrogen 3.081 N/A GLU 101.A N GLU 108.A O no hydrogen 2.884 N/A LEU 102.A N THR 6.A O no hydrogen 2.861 N/A GLU 108.A N GLU 101.A O no hydrogen 3.003 N/A SER 109.A OG LEU 159.A O no hydrogen 2.548 N/A SER 110.A N GLY 99.A O no hydrogen 3.159 N/A LEU 111.A N ILE 123.A O no hydrogen 2.921 N/A ARG 112.A N THR 97.A O no hydrogen 2.779 N/A GLY 113.A N VAL 121.A O no hydrogen 2.871 N/A ALA 114.A N GLN 95.A O no hydrogen 2.801 N/A LEU 115.A N LEU 118.A O no hydrogen 2.986 N/A GLY 116.A N VAL 93.A O no hydrogen 3.166 N/A LEU 118.A N LEU 115.A O no hydrogen 2.929 N/A PHE 120.A N GLY 113.A O no hydrogen 2.769 N/A VAL 121.A N GLY 113.A O no hydrogen 3.160 N/A SER 122.A N VAL 129.A O no hydrogen 2.924 N/A ILE 123.A N LEU 111.A O no hydrogen 2.742 N/A GLN 124.A N SER 127.A O no hydrogen 2.838 N/A GLN 124.A NE2 SER 122.A OG no hydrogen 2.726 N/A HIS 126.A NE2 ASP 153.A OD2 no hydrogen 2.644 N/A SER 127.A N GLN 124.A O no hydrogen 2.789 N/A SER 127.A OG ASN 125.A O no hydrogen 3.345 N/A VAL 129.A N SER 122.A O no hydrogen 2.864 N/A ALA 131.A N PHE 120.A O no hydrogen 2.843 N/A SER 134.A N ALA 131.A O no hydrogen 2.884 N/A SER 134.A OG PHE 120.A O no hydrogen 3.455 N/A SER 134.A OG ALA 131.A O no hydrogen 2.684 N/A ARG 137.A NE PHE 86.A O no hydrogen 2.696 N/A GLY 138.A N SER 134.A O no hydrogen 3.123 N/A GLN 139.A N GLY 135.A O no hydrogen 3.239 N/A LYS 140.A N SER 136.A O no hydrogen 2.722 N/A PHE 141.A N ARG 137.A O no hydrogen 3.083 N/A CYS 142.A N GLY 138.A O no hydrogen 3.087 N/A CYS 142.A SG GLY 138.A O no hydrogen 3.983 N/A ALA 143.A N GLN 139.A O no hydrogen 2.988 N/A LEU 144.A N LYS 140.A O no hydrogen 2.922 N/A THR 145.A N PHE 141.A O no hydrogen 3.069 N/A THR 145.A OG1 CYS 142.A O no hydrogen 2.623 N/A THR 146.A N ALA 143.A O no hydrogen 3.207 N/A THR 146.A OG1 ALA 143.A O no hydrogen 2.667 N/A GLN 147.A N LEU 144.A O no hydrogen 2.857 N/A TYR 148.A N THR 145.A O no hydrogen 3.222 N/A SER 152.A N TYR 148.A O no hydrogen 2.906 N/A SER 152.A OG THR 145.A O no hydrogen 2.897 N/A SER 152.A OG TYR 148.A O no hydrogen 3.395 N/A ASP 153.A N GLN 149.A O no hydrogen 2.725 N/A ILE 154.A N GLY 150.A O no hydrogen 3.093 N/A ILE 155.A N ILE 151.A O no hydrogen 3.091 N/A GLU 156.A N SER 152.A O no hydrogen 3.057 N/A ARG 157.A N ASP 153.A O no hydrogen 3.042 N/A LEU 158.A N ILE 154.A O no hydrogen 3.036 N/A LEU 159.A N ILE 155.A O no hydrogen 2.957 N/A SER 160.A N GLU 156.A O no hydrogen 2.855 N/A SER 160.A OG GLU 156.A O no hydrogen 2.912 N/A GLU 161.A N ARG 157.A O no hydrogen 2.869 N/A THR 162.A N ARG 157.A O no hydrogen 3.109 N/A CYS 163.A N LEU 158.A O no hydrogen 2.848 N/A ARG 165.A NH1 GLU 60.A OE1 no hydrogen 3.488 N/A ARG 165.A NH1 GLU 60.A OE2 no hydrogen 3.381 N/A ARG 165.A NH2 GLU 60.A OE1 no hydrogen 2.879 N/A TYR 166.A N THR 162.A O no hydrogen 2.888 N/A TYR 166.A OH SER 52.A O no hydrogen 2.707 N/A LEU 167.A N CYS 163.A O no hydrogen 2.871 N/A LEU 168.A N PRO 164.A O no hydrogen 3.231 N/A GLY 169.A N ARG 165.A O no hydrogen 3.069 N/A VAL 170.A N TYR 166.A O no hydrogen 2.837 N/A LEU 171.A N LEU 167.A O no hydrogen 2.999 N/A ASP 172.A N LEU 168.A O no hydrogen 3.263 N/A ALA 173.A N GLY 169.A O no hydrogen 2.944 N/A GLY 174.A N VAL 170.A O no hydrogen 2.917 N/A LYS 175.A N ASP 172.A O no hydrogen 3.280 N/A LEU 178.A N GLY 174.A O no hydrogen 2.747 N/A GLN 179.A N LYS 175.A O no hydrogen 2.862 N/A GLN 179.A NE2 GLN 3.A O no hydrogen 3.300 N/A ARG 180.A NH1 TRP 238.A O no hydrogen 2.979 N/A ARG 180.A NH2 GLU 177.A O no hydrogen 3.137 N/A GLN 181.A NE2 GLN 3.A OE1 no hydrogen 3.137 N/A VAL 182.A N TYR 209.A O no hydrogen 2.751 N/A GLU 185.A N SER 206.A O no hydrogen 2.743 N/A TRP 187.A N HIS 204.A O no hydrogen 2.895 N/A SER 189.A N VAL 202.A O no hydrogen 2.903 N/A SER 189.A OG HIS 204.A NE2 no hydrogen 2.698 N/A GLY 191.A N LEU 200.A O no hydrogen 2.790 N/A ARG 198.A N GLY 195.A O no hydrogen 3.251 N/A ARG 198.A NE ASN 247.A OD1 no hydrogen 3.139 N/A ARG 198.A NH2 ASN 247.A O no hydrogen 2.960 N/A ARG 198.A NH2 ASN 247.A OD1 no hydrogen 3.117 N/A LEU 199.A N VAL 248.A O no hydrogen 2.713 N/A LEU 201.A N LEU 246.A O no hydrogen 2.751 N/A VAL 202.A N SER 189.A O no hydrogen 2.827 N/A CYS 203.A N VAL 244.A O no hydrogen 2.661 N/A HIS 204.A N TRP 187.A O no hydrogen 2.722 N/A HIS 204.A ND1 TYR 241.A OH no hydrogen 2.600 N/A HIS 204.A NE2 SER 189.A OG no hydrogen 2.698 N/A VAL 205.A N LEU 242.A O no hydrogen 2.785 N/A SER 206.A N GLU 185.A O no hydrogen 2.747 N/A GLY 207.A N TRP 240.A O no hydrogen 2.876 N/A TYR 209.A N VAL 182.A O no hydrogen 3.150 N/A TYR 209.A OH LEU 178.A O no hydrogen 2.707 N/A LYS 211.A NZ ASP 32.A OD2 no hydrogen 2.684 N/A ARG 214.A N LYS 261.A O no hydrogen 3.140 N/A MET 216.A N ARG 259.A O no hydrogen 3.100 N/A TRP 217.A NE1 VAL 244.A O no hydrogen 3.026 N/A MET 218.A N ASN 257.A O no hydrogen 2.651 N/A ARG 219.A N GLN 222.A O no hydrogen 3.036 N/A ARG 219.A NH1 GLU 252.A O no hydrogen 3.555 N/A ARG 219.A NH1 ALA 254.A O no hydrogen 2.609 N/A ARG 219.A NH2 GLU 252.A O no hydrogen 2.440 N/A GLN 222.A N ARG 219.A O no hydrogen 3.143 N/A GLN 224.A N TRP 217.A O no hydrogen 2.870 N/A GLN 224.A NE2 GLN 222.A O no hydrogen 2.850 N/A GLN 224.A NE2 GLN 222.A OE1 no hydrogen 3.114 N/A THR 227.A N GLN 224.A O no hydrogen 3.163 N/A THR 227.A OG1 GLN 224.A O no hydrogen 2.722 N/A GLN 228.A N THR 245.A O no hydrogen 2.905 N/A GLN 229.A NE2 VAL 215.A O no hydrogen 2.916 N/A GLY 230.A N ARG 243.A O no hydrogen 2.971 N/A MET 233.A N TYR 241.A O no hydrogen 2.916 N/A ASN 235.A N THR 239.A O no hydrogen 3.052 N/A ASN 235.A ND2 SER 206.A OG no hydrogen 3.117 N/A ASN 235.A ND2 THR 239.A OG1 no hydrogen 3.031 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.830 N/A TRP 240.A N PHE 208.A O no hydrogen 3.285 N/A TYR 241.A N MET 233.A O no hydrogen 2.728 N/A LEU 242.A N VAL 205.A O no hydrogen 2.710 N/A ARG 243.A NE TYR 241.A OH no hydrogen 3.281 N/A VAL 244.A N CYS 203.A O no hydrogen 2.814 N/A THR 245.A N GLN 228.A O no hydrogen 3.135 N/A LEU 246.A N LEU 201.A O no hydrogen 2.676 N/A VAL 248.A N LEU 199.A O no hydrogen 2.964 N/A ALA 250.A N GLY 197.A O no hydrogen 2.718 N/A GLU 252.A N ALA 249.A O no hydrogen 3.101 N/A ALA 253.A N ALA 250.A O no hydrogen 3.329 N/A LEU 256.A N ALA 253.A O no hydrogen 3.310 N/A ASN 257.A N MET 218.A O no hydrogen 2.812 N/A CYS 258.A N LEU 272.A O no hydrogen 2.870 N/A ARG 259.A N MET 216.A O no hydrogen 2.824 N/A ARG 259.A NE ASP 269.A OD1 no hydrogen 2.759 N/A VAL 260.A N ILE 270.A O no hydrogen 2.756 N/A LYS 261.A N ARG 214.A O no hydrogen 2.854 N/A LYS 261.A NZ ASP 269.A OD1 no hydrogen 2.565 N/A HIS 262.A ND1 SER 264.A OG no hydrogen 2.824 N/A HIS 262.A NE2 PRO 210.A O no hydrogen 2.717 N/A SER 263.A OG GLN 181.A OE1 no hydrogen 2.566 N/A SER 264.A N HIS 262.A ND1 no hydrogen 3.158 N/A SER 264.A OG VAL 182.A O no hydrogen 3.318 N/A SER 264.A OG HIS 262.A ND1 no hydrogen 2.824 N/A LEU 265.A N HIS 262.A O no hydrogen 2.863 N/A GLY 266.A N SER 263.A O no hydrogen 3.340 N/A GLN 268.A N LEU 265.A O no hydrogen 3.136 N/A ILE 270.A N VAL 260.A O no hydrogen 3.036 N/A LEU 272.A N CYS 258.A O no hydrogen 2.996 N/A TRP 274.A N LEU 256.A O no hydrogen 3.162 N/A