Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gxl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N ASP 63.A OD2 no hydrogen 3.049 N/A THR 4.A N ILE 1.A O no hydrogen 3.049 N/A THR 4.A OG1 ILE 1.A O no hydrogen 3.146 N/A ILE 5.A N ALA 2.A O no hydrogen 3.130 N/A VAL 6.A N LYS 23.A O no hydrogen 2.958 N/A GLN 8.A N ARG 21.A O no hydrogen 2.850 N/A GLU 9.A N ARG 21.A O no hydrogen 3.311 N/A ILE 11.A N VAL 19.A O no hydrogen 2.833 N/A GLY 14.A N GLY 17.A O no hydrogen 2.867 N/A GLU 18.A N ILE 30.A O no hydrogen 3.025 N/A VAL 19.A N GLY 12.A O no hydrogen 2.675 N/A TRP 20.A N VAL 28.A O no hydrogen 2.654 N/A TRP 20.A NE1 GLU 18.A OE2 no hydrogen 2.785 N/A ARG 21.A N GLU 9.A O no hydrogen 2.840 N/A ARG 21.A NE GLU 9.A OE2 no hydrogen 2.899 N/A ARG 21.A NH1 GLU 25.A OE2 no hydrogen 3.080 N/A ARG 21.A NH2 GLU 9.A OE2 no hydrogen 2.995 N/A GLY 22.A N VAL 26.A O no hydrogen 2.808 N/A LYS 23.A N VAL 6.A O no hydrogen 2.879 N/A VAL 26.A N GLY 22.A O no hydrogen 2.927 N/A ALA 27.A N SER 77.A O no hydrogen 2.876 N/A VAL 28.A N TRP 20.A O no hydrogen 2.758 N/A LYS 29.A N LEU 75.A O no hydrogen 2.872 N/A LYS 29.A NZ GLU 42.A OE1 no hydrogen 2.930 N/A LYS 29.A NZ GLU 42.A OE2 no hydrogen 3.156 N/A ILE 30.A N GLU 18.A O no hydrogen 2.873 N/A PHE 31.A N LEU 73.A O no hydrogen 2.839 N/A SER 32.A N GLU 35.A OE1 no hydrogen 3.006 N/A GLU 35.A N SER 32.A O no hydrogen 2.903 N/A GLU 36.A N SER 33.A O no hydrogen 3.284 N/A TRP 39.A N GLU 35.A O no hydrogen 3.054 N/A TRP 39.A NE1 TRP 74.A O no hydrogen 2.928 N/A PHE 40.A N GLU 36.A O no hydrogen 2.734 N/A ARG 41.A N ARG 37.A O no hydrogen 3.011 N/A ARG 41.A NH1 GLU 44.A OE1 no hydrogen 2.832 N/A ARG 41.A NH1 ASP 163.A OD2 no hydrogen 2.844 N/A ARG 41.A NH2 ALA 152.A O no hydrogen 3.001 N/A ARG 41.A NH2 ASP 163.A OD1 no hydrogen 2.935 N/A ARG 41.A NH2 ASP 163.A OD2 no hydrogen 3.124 N/A GLU 42.A N SER 38.A O no hydrogen 3.139 N/A ALA 43.A N TRP 39.A O no hydrogen 2.949 N/A GLU 44.A N PHE 40.A O no hydrogen 2.758 N/A ILE 45.A N ARG 41.A O no hydrogen 3.019 N/A TYR 46.A N GLU 42.A O no hydrogen 2.985 N/A GLN 47.A N ALA 43.A O no hydrogen 3.020 N/A GLN 47.A N GLU 44.A O no hydrogen 3.276 N/A GLN 47.A NE2 ALA 43.A O no hydrogen 3.572 N/A THR 48.A N ILE 45.A O no hydrogen 3.070 N/A THR 48.A OG1 ILE 45.A O no hydrogen 2.650 N/A LEU 51.A N THR 48.A O no hydrogen 3.255 N/A ARG 52.A NH1 PHE 59.A O no hydrogen 2.885 N/A ASN 55.A N HIS 53.A ND1 no hydrogen 2.884 N/A ASN 55.A ND2 CYS 144.A O no hydrogen 2.853 N/A ILE 56.A N HIS 53.A O no hydrogen 3.094 N/A LEU 57.A N ILE 146.A O no hydrogen 2.884 N/A ILE 60.A N VAL 76.A O no hydrogen 2.837 N/A ALA 61.A N VAL 76.A O no hydrogen 3.281 N/A ASP 63.A N TRP 74.A O no hydrogen 2.942 N/A ASN 64.A N ASP 63.A OD1 no hydrogen 2.767 N/A LYS 65.A N GLN 72.A O no hydrogen 2.980 N/A LYS 65.A NZ ALA 2.A O no hydrogen 2.945 N/A ASN 67.A N TRP 70.A O no hydrogen 3.147 N/A GLY 68.A N ASP 66.A OD1 no hydrogen 2.727 N/A THR 69.A N ASN 67.A OD1 no hydrogen 2.738 N/A TRP 70.A N ASN 67.A OD1 no hydrogen 2.941 N/A GLN 72.A N LYS 65.A O no hydrogen 2.811 N/A LEU 73.A N PHE 31.A O no hydrogen 2.952 N/A TRP 74.A N ASP 63.A O no hydrogen 2.824 N/A TRP 74.A NE1 GLN 72.A OE1 no hydrogen 2.866 N/A LEU 75.A N LYS 29.A O no hydrogen 3.093 N/A VAL 76.A N ALA 61.A O no hydrogen 2.766 N/A SER 77.A N ALA 27.A O no hydrogen 2.842 N/A SER 77.A OG ASP 78.A O no hydrogen 2.974 N/A ASP 78.A N GLY 58.A O no hydrogen 2.995 N/A GLY 83.A N HIS 80.A O no hydrogen 2.954 N/A LEU 85.A N ILE 136.A O no hydrogen 2.698 N/A PHE 86.A N SER 133.A O no hydrogen 2.970 N/A ASP 87.A N SER 84.A OG no hydrogen 2.974 N/A TYR 88.A N SER 84.A O no hydrogen 2.949 N/A LEU 89.A N LEU 85.A O no hydrogen 2.801 N/A ASN 90.A N PHE 86.A O no hydrogen 3.156 N/A ASN 90.A N ASP 87.A O no hydrogen 3.235 N/A ARG 91.A N ASP 87.A O no hydrogen 3.001 N/A TYR 92.A N TYR 88.A O no hydrogen 2.882 N/A VAL 94.A N ARG 206.A O no hydrogen 2.716 N/A GLY 98.A N THR 95.A OG1 no hydrogen 2.942 N/A MET 99.A N THR 95.A O no hydrogen 2.858 N/A ILE 100.A N VAL 96.A O no hydrogen 3.007 N/A LYS 101.A N GLU 97.A O no hydrogen 2.951 N/A LYS 101.A NZ ASN 141.A O no hydrogen 2.858 N/A LEU 102.A N GLY 98.A O no hydrogen 3.041 N/A ALA 103.A N MET 99.A O no hydrogen 2.938 N/A LEU 104.A N ILE 100.A O no hydrogen 2.774 N/A SER 105.A N LYS 101.A O no hydrogen 3.054 N/A SER 105.A OG LYS 101.A O no hydrogen 2.700 N/A SER 105.A OG LEU 102.A O no hydrogen 3.004 N/A THR 106.A N LEU 102.A O no hydrogen 3.157 N/A THR 106.A OG1 LEU 102.A O no hydrogen 2.866 N/A ALA 107.A N ALA 103.A O no hydrogen 2.957 N/A SER 108.A N LEU 104.A O no hydrogen 2.748 N/A SER 108.A OG LEU 104.A O no hydrogen 2.873 N/A GLY 109.A N SER 105.A O no hydrogen 2.972 N/A LEU 110.A N THR 106.A O no hydrogen 2.967 N/A ALA 111.A N ALA 107.A O no hydrogen 2.881 N/A HIS 112.A N SER 108.A O no hydrogen 3.090 N/A HIS 112.A NE2 LEU 51.A O no hydrogen 2.715 N/A LEU 113.A N GLY 109.A O no hydrogen 3.021 N/A HIS 114.A N LEU 110.A O no hydrogen 2.830 N/A HIS 114.A NE2 ASP 192.A OD2 no hydrogen 2.866 N/A MET 115.A N ALA 111.A O no hydrogen 2.838 N/A MET 115.A N HIS 112.A O no hydrogen 3.290 N/A ILE 117.A N LYS 123.A O no hydrogen 2.693 N/A LYS 123.A N ILE 117.A O no hydrogen 2.838 N/A LYS 123.A NZ HIS 112.A O no hydrogen 2.901 N/A LYS 123.A NZ LEU 113.A O no hydrogen 2.878 N/A LYS 123.A NZ MET 115.A O no hydrogen 2.751 N/A LYS 123.A NZ PRO 124.A O no hydrogen 2.931 N/A ILE 126.A N LEU 113.A O no hydrogen 2.747 N/A ALA 127.A N VAL 153.A O no hydrogen 3.002 N/A HIS 128.A N ASP 192.A OD2 no hydrogen 2.812 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 2.892 N/A ARG 129.A N ASP 192.A OD1 no hydrogen 2.872 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 2.856 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.025 N/A LYS 132.A N ASN 135.A OD1 no hydrogen 3.110 N/A LYS 132.A NZ THR 167.A OG1 no hydrogen 2.909 N/A SER 133.A OG TYR 170.A OH no hydrogen 3.228 N/A SER 133.A OG GLU 202.A OE1 no hydrogen 2.583 N/A SER 133.A OG GLU 202.A OE2 no hydrogen 3.346 N/A ASN 135.A N LYS 132.A O no hydrogen 3.258 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.691 N/A ASN 135.A ND2 ASP 148.A OD1 no hydrogen 2.638 N/A LEU 137.A N CYS 145.A O no hydrogen 2.794 N/A VAL 138.A N GLY 83.A O no hydrogen 2.946 N/A LYS 139.A N THR 143.A O no hydrogen 2.789 N/A LYS 139.A NZ GLU 54.A O no hydrogen 2.930 N/A GLY 142.A N LYS 139.A O no hydrogen 3.080 N/A THR 143.A N ASN 141.A OD1 no hydrogen 3.258 N/A THR 143.A OG1 ASN 141.A OD1 no hydrogen 2.706 N/A CYS 144.A N SER 105.A OG no hydrogen 2.806 N/A CYS 144.A SG LEU 102.A O no hydrogen 3.689 N/A CYS 144.A SG THR 106.A OG1 no hydrogen 3.582 N/A CYS 145.A N LEU 137.A O no hydrogen 2.870 N/A CYS 145.A SG HIS 80.A NE2 no hydrogen 3.794 N/A ILE 146.A N ASN 55.A O no hydrogen 2.832 N/A ALA 147.A N ASN 135.A O no hydrogen 2.743 N/A ALA 152.A N LEU 149.A O no hydrogen 3.098 N/A VAL 153.A N ALA 127.A O no hydrogen 2.958 N/A ARG 154.A N ASP 163.A OD1 no hydrogen 2.777 N/A ARG 154.A NE ASP 163.A OD2 no hydrogen 2.863 N/A ARG 154.A NH1 THR 48.A OG1 no hydrogen 2.919 N/A ARG 154.A NH2 ASP 163.A OD2 no hydrogen 3.388 N/A HIS 155.A N ALA 125.A O no hydrogen 2.889 N/A ASP 156.A N THR 161.A O no hydrogen 2.903 N/A SER 157.A OG GLU 116.A OE1 no hydrogen 3.315 N/A SER 157.A OG GLU 116.A OE2 no hydrogen 2.622 N/A THR 159.A N ASP 156.A O no hydrogen 3.131 N/A THR 159.A OG1 ASP 156.A O no hydrogen 3.501 N/A THR 159.A OG1 ASP 156.A OD2 no hydrogen 2.698 N/A THR 159.A OG1 THR 161.A OG1 no hydrogen 2.617 N/A ASP 160.A N ASP 156.A O no hydrogen 2.748 N/A THR 161.A N ASP 156.A O no hydrogen 3.416 N/A THR 161.A OG1 THR 159.A OG1 no hydrogen 2.617 N/A ASP 163.A N ARG 154.A O no hydrogen 3.139 N/A ARG 164.A NE VAL 175.A O no hydrogen 3.208 N/A ARG 164.A NH2 LEU 176.A O no hydrogen 3.276 N/A THR 167.A N ASP 130.A OD1 no hydrogen 2.956 N/A THR 167.A OG1 ASP 130.A OD1 no hydrogen 2.720 N/A ARG 169.A NH1 PRO 216.A O no hydrogen 2.960 N/A TYR 170.A N THR 167.A O no hydrogen 3.103 N/A TYR 170.A OH GLU 202.A OE2 no hydrogen 2.446 N/A MET 171.A N LYS 168.A O no hydrogen 2.950 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.712 N/A VAL 175.A N ALA 172.A O no hydrogen 2.857 N/A LEU 176.A N ALA 172.A O no hydrogen 2.897 N/A ASP 177.A N PRO 173.A O no hydrogen 3.041 N/A ASP 178.A N VAL 175.A O no hydrogen 3.187 N/A SER 179.A N GLU 174.A O no hydrogen 2.913 N/A SER 179.A N ASP 177.A OD1 no hydrogen 2.870 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.675 N/A SER 179.A OG ASP 177.A OD2 no hydrogen 3.431 N/A ILE 180.A N GLU 174.A O no hydrogen 3.103 N/A LYS 183.A N ASN 181.A OD1 no hydrogen 2.883 N/A HIS 184.A N ASN 181.A O no hydrogen 2.964 N/A SER 187.A N HIS 184.A O no hydrogen 2.880 N/A PHE 188.A N PHE 185.A O no hydrogen 2.889 N/A LYS 189.A N PHE 185.A O no hydrogen 3.215 N/A LYS 189.A NZ GLU 186.A OE1 no hydrogen 3.120 N/A LYS 189.A NZ GLU 186.A OE2 no hydrogen 3.349 N/A ARG 190.A N GLU 186.A O no hydrogen 3.006 N/A ALA 191.A N SER 187.A O no hydrogen 2.994 N/A ASP 192.A N PHE 188.A O no hydrogen 3.066 N/A ASP 192.A N LYS 189.A O no hydrogen 2.985 N/A ILE 193.A N LYS 189.A O no hydrogen 3.226 N/A TYR 194.A N ARG 190.A O no hydrogen 3.334 N/A TYR 194.A OH TYR 217.A OH no hydrogen 2.647 N/A ALA 195.A N ALA 191.A O no hydrogen 3.352 N/A MET 196.A N ASP 192.A O no hydrogen 2.861 N/A GLY 197.A N ILE 193.A O no hydrogen 2.972 N/A LEU 198.A N TYR 194.A O no hydrogen 3.264 N/A VAL 199.A N ALA 195.A O no hydrogen 3.089 N/A PHE 200.A N MET 196.A O no hydrogen 2.870 N/A TRP 201.A N GLY 197.A O no hydrogen 3.056 N/A TRP 201.A NE1 ASN 242.A O no hydrogen 2.728 N/A GLU 202.A N LEU 198.A O no hydrogen 3.087 N/A ILE 203.A N VAL 199.A O no hydrogen 3.058 N/A ALA 204.A N PHE 200.A O no hydrogen 2.942 N/A ARG 205.A N TRP 201.A O no hydrogen 3.259 N/A ARG 205.A NE ASP 212.A O no hydrogen 3.058 N/A ARG 205.A NH2 ASP 212.A O no hydrogen 2.851 N/A ARG 205.A NH2 ASP 212.A OD1 no hydrogen 3.127 N/A ARG 206.A N ILE 203.A O no hydrogen 2.915 N/A ARG 206.A NE LEU 89.A O no hydrogen 2.597 N/A ARG 206.A NE TYR 92.A O no hydrogen 3.111 N/A ARG 206.A NH1 GLU 211.A O no hydrogen 3.169 N/A ARG 206.A NH2 TYR 92.A O no hydrogen 3.158 N/A CYS 207.A N ALA 204.A O no hydrogen 3.140 N/A CYS 207.A SG VAL 94.A O no hydrogen 3.937 N/A SER 208.A N VAL 94.A O no hydrogen 2.762 N/A GLU 211.A N ARG 205.A O no hydrogen 2.896 N/A TYR 213.A OH GLU 202.A OE1 no hydrogen 2.638 N/A GLN 214.A NE2 ASP 212.A OD1 no hydrogen 3.370 N/A TYR 217.A OH TYR 194.A OH no hydrogen 2.647 N/A TYR 218.A N LEU 215.A O no hydrogen 3.215 N/A LEU 220.A N TYR 217.A O no hydrogen 3.004 N/A VAL 221.A N TYR 217.A O no hydrogen 3.222 N/A SER 226.A N GLU 229.A OE1 no hydrogen 2.990 N/A GLU 229.A N SER 226.A OG no hydrogen 3.336 N/A MET 230.A N SER 226.A O no hydrogen 3.091 N/A ARG 231.A N VAL 227.A O no hydrogen 2.739 N/A ARG 231.A NE GLU 228.A OE1 no hydrogen 2.886 N/A ARG 231.A NH1 GLU 236.A OE2 no hydrogen 2.757 N/A ARG 231.A NH2 GLU 228.A OE1 no hydrogen 3.504 N/A ARG 231.A NH2 GLU 228.A OE2 no hydrogen 2.839 N/A LYS 232.A N GLU 228.A O no hydrogen 3.002 N/A VAL 234.A N MET 230.A O no hydrogen 2.845 N/A CYS 235.A N ARG 231.A O no hydrogen 2.769 N/A CYS 235.A SG PRO 173.A O no hydrogen 3.479 N/A GLU 236.A N ARG 231.A O no hydrogen 3.147 N/A GLN 237.A N LYS 232.A O no hydrogen 2.866 N/A LYS 238.A NZ CYS 235.A O no hydrogen 2.946 N/A LEU 239.A N VAL 233.A O no hydrogen 2.997 N/A ARG 240.A NE TRP 262.A O no hydrogen 2.844 N/A ARG 240.A NH1 VAL 234.A O no hydrogen 3.134 N/A ARG 240.A NH1 LEU 239.A O no hydrogen 2.775 N/A ARG 240.A NH2 TRP 262.A O no hydrogen 3.048 N/A ARG 252.A N CYS 248.A O no hydrogen 2.811 N/A ARG 252.A NE GLU 249.A OE1 no hydrogen 3.384 N/A ARG 252.A NH2 GLU 249.A OE2 no hydrogen 2.770 N/A VAL 253.A N GLU 249.A O no hydrogen 2.967 N/A MET 254.A N ALA 250.A O no hydrogen 3.042 N/A ALA 255.A N LEU 251.A O no hydrogen 2.939 N/A LYS 256.A N ARG 252.A O no hydrogen 3.137 N/A LYS 256.A NZ GLU 260.A OE1 no hydrogen 2.889 N/A ILE 257.A N VAL 253.A O no hydrogen 3.068 N/A MET 258.A N MET 254.A O no hydrogen 2.912 N/A ARG 259.A N ALA 255.A O no hydrogen 2.984 N/A GLU 260.A N LYS 256.A O no hydrogen 3.025 N/A CYS 261.A N MET 258.A O no hydrogen 2.811 N/A CYS 261.A SG ILE 193.A O no hydrogen 3.855 N/A CYS 261.A SG ILE 257.A O no hydrogen 3.213 N/A TRP 262.A N ARG 259.A O no hydrogen 3.093 N/A ALA 268.A N ASN 265.A O no hydrogen 3.021 N/A ARG 269.A N GLY 266.A O no hydrogen 3.146 N/A ARG 269.A NE TYR 263.A O no hydrogen 2.882 N/A ARG 269.A NH1 GLU 174.A OE2 no hydrogen 2.792 N/A ARG 269.A NH1 ARG 190.A O no hydrogen 3.036 N/A ARG 269.A NH2 GLU 174.A OE1 no hydrogen 2.596 N/A ARG 269.A NH2 TYR 263.A O no hydrogen 2.942 N/A LEU 270.A N GLU 260.A O no hydrogen 3.176 N/A ARG 274.A N THR 271.A OG1 no hydrogen 3.146 N/A ILE 275.A N THR 271.A O no hydrogen 3.092 N/A LYS 276.A N ALA 272.A O no hydrogen 2.875 N/A LYS 277.A N LEU 273.A O no hydrogen 2.934 N/A THR 278.A N ARG 274.A O no hydrogen 3.031 N/A THR 278.A OG1 ARG 274.A O no hydrogen 3.045 N/A LEU 279.A N ILE 275.A O no hydrogen 2.904 N/A SER 280.A N LYS 276.A O no hydrogen 2.784 N/A SER 280.A OG LYS 276.A O no hydrogen 2.643 N/A GLN 281.A N LYS 277.A O no hydrogen 2.917 N/A LEU 282.A N THR 278.A O no hydrogen 3.077 N/A SER 283.A N LEU 279.A O no hydrogen 2.990 N/A GLN 284.A N SER 280.A O no hydrogen 3.145 N/A GLN 284.A N GLN 281.A O no hydrogen 3.114 N/A GLN 285.A N GLN 281.A O no hydrogen 3.143 N/A GLN 285.A NE2 GLN 281.A O no hydrogen 3.422 N/A