Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sxg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 17.A N LYS 14.A O no hydrogen 3.116 N/A ARG 20.A NE ASP 22.A OD1 no hydrogen 2.849 N/A ARG 20.A NH1 ASP 22.A OD1 no hydrogen 3.348 N/A ARG 20.A NH1 ASP 22.A OD2 no hydrogen 2.749 N/A ARG 20.A NH1 VAL 272.A O no hydrogen 3.112 N/A ARG 20.A NH2 GLU 36.A O no hydrogen 3.065 N/A ASP 22.A N ASP 22.A OD1 no hydrogen 2.611 N/A THR 27.A N ALA 31.A O no hydrogen 2.903 N/A TRP 29.A N THR 27.A OG1 no hydrogen 3.159 N/A TRP 29.A NE1 PRO 252.A O no hydrogen 2.764 N/A LEU 30.A N THR 27.A O no hydrogen 2.915 N/A ALA 31.A N THR 27.A OG1 no hydrogen 3.098 N/A ILE 33.A N VAL 25.A O no hydrogen 2.900 N/A VAL 34.A N VAL 255.A O no hydrogen 2.892 N/A TRP 35.A NE1 LEU 24.A O no hydrogen 3.005 N/A GLU 36.A N GLU 259.A OE1 no hydrogen 2.844 N/A GLU 36.A N GLU 259.A OE2 no hydrogen 3.216 N/A THR 38.A N TRP 35.A O no hydrogen 3.116 N/A THR 38.A OG1 TRP 35.A O no hydrogen 2.614 N/A LEU 44.A N ASN 40.A O no hydrogen 3.190 N/A ASN 45.A N ILE 41.A O no hydrogen 2.727 N/A GLU 46.A N ASP 42.A O no hydrogen 3.058 N/A GLN 47.A N ILE 43.A O no hydrogen 3.070 N/A PHE 48.A N LEU 44.A O no hydrogen 2.922 N/A ARG 49.A N ASN 45.A O no hydrogen 2.835 N/A LEU 50.A N GLU 46.A O no hydrogen 2.963 N/A GLN 51.A NE2 PHE 1.A O no hydrogen 3.348 N/A ASN 52.A N ARG 49.A O no hydrogen 2.746 N/A THR 53.A N PHE 48.A O no hydrogen 3.271 N/A THR 53.A OG1 PHE 48.A O no hydrogen 2.794 N/A THR 54.A N ASP 142.A OD2 no hydrogen 2.820 N/A ILE 55.A N ARG 85.A O no hydrogen 2.912 N/A GLY 56.A N TYR 143.A O no hydrogen 2.854 N/A LEU 57.A N HIS 87.A O no hydrogen 3.013 N/A THR 58.A N VAL 145.A O no hydrogen 2.808 N/A VAL 59.A N TYR 89.A O no hydrogen 3.160 N/A ALA 61.A N PHE 91.A O no hydrogen 2.774 N/A LYS 63.A N ASP 93.A OD1 no hydrogen 2.853 N/A LYS 63.A NZ TYR 117.A O no hydrogen 2.887 N/A TYR 65.A N ILE 62.A O no hydrogen 3.109 N/A VAL 66.A N LYS 63.A O no hydrogen 3.286 N/A ALA 67.A N LYS 64.A O no hydrogen 3.150 N/A PHE 68.A N TYR 65.A O no hydrogen 3.172 N/A LEU 69.A N VAL 66.A O no hydrogen 3.162 N/A LYS 70.A NZ GLU 74.A OE1 no hydrogen 2.615 N/A PHE 72.A N PHE 68.A O no hydrogen 3.097 N/A LEU 73.A N LEU 69.A O no hydrogen 2.839 N/A GLU 74.A N LYS 70.A O no hydrogen 3.044 N/A THR 75.A N LEU 71.A O no hydrogen 3.019 N/A THR 75.A OG1 LEU 71.A O no hydrogen 2.805 N/A THR 75.A OG1 PHE 72.A O no hydrogen 3.260 N/A ALA 76.A N PHE 72.A O no hydrogen 2.846 N/A GLU 77.A N LEU 73.A O no hydrogen 2.922 N/A LYS 78.A N THR 75.A O no hydrogen 3.050 N/A HIS 79.A N ALA 76.A O no hydrogen 3.127 N/A PHE 80.A N ALA 76.A O no hydrogen 2.828 N/A MET 81.A N VAL 157.A O no hydrogen 2.885 N/A HIS 84.A N MET 81.A O no hydrogen 2.951 N/A VAL 86.A N GLY 106.A O no hydrogen 3.330 N/A HIS 87.A N ILE 55.A O no hydrogen 2.919 N/A HIS 87.A NE2 SER 110.A OG no hydrogen 2.632 N/A TYR 88.A N GLN 108.A O no hydrogen 2.757 N/A TYR 88.A OH GLU 77.A OE1 no hydrogen 2.558 N/A TYR 89.A N LEU 57.A O no hydrogen 2.848 N/A TYR 89.A OH GLU 140.A OE2 no hydrogen 2.724 N/A VAL 90.A N SER 110.A O no hydrogen 2.912 N/A PHE 91.A N VAL 59.A O no hydrogen 2.922 N/A THR 92.A N LEU 112.A O no hydrogen 3.001 N/A THR 92.A OG1 ALA 61.A O no hydrogen 2.767 N/A GLN 94.A N THR 92.A OG1 no hydrogen 2.981 N/A GLN 94.A NE2 LYS 63.A O no hydrogen 2.670 N/A GLN 94.A NE2 ASP 93.A OD1 no hydrogen 3.085 N/A ALA 97.A N GLN 94.A O no hydrogen 3.004 N/A VAL 98.A N PRO 95.A O no hydrogen 3.326 N/A GLY 104.A N GLU 77.A OE2 no hydrogen 2.633 N/A ARG 107.A N GLY 104.A O no hydrogen 3.296 N/A ARG 107.A NE GLU 77.A OE1 no hydrogen 2.836 N/A ARG 107.A NH1 PHE 80.A O no hydrogen 3.006 N/A ARG 107.A NH1 MET 81.A O no hydrogen 3.361 N/A ARG 107.A NH2 PHE 80.A O no hydrogen 2.890 N/A ARG 107.A NH2 TYR 88.A OH no hydrogen 2.914 N/A GLN 108.A N VAL 86.A O no hydrogen 2.861 N/A SER 110.A N TYR 88.A O no hydrogen 2.882 N/A SER 110.A OG HIS 87.A NE2 no hydrogen 2.632 N/A LEU 112.A N VAL 90.A O no hydrogen 2.756 N/A VAL 114.A N THR 92.A O no hydrogen 3.006 N/A ARG 119.A NH1 ASP 122.A OD2 no hydrogen 3.193 N/A ARG 119.A NH1 GLU 234.A OE2 no hydrogen 2.754 N/A ARG 119.A NH2 GLU 234.A OE1 no hydrogen 3.377 N/A ARG 119.A NH2 GLU 234.A OE2 no hydrogen 2.993 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 2.894 N/A VAL 123.A N ARG 119.A O no hydrogen 3.050 N/A SER 124.A N TRP 120.A O no hydrogen 2.977 N/A SER 124.A OG ASP 239.A OD1 no hydrogen 3.276 N/A SER 124.A OG ASP 239.A OD2 no hydrogen 2.555 N/A MET 125.A N GLN 121.A O no hydrogen 2.896 N/A ARG 126.A N ASP 122.A O no hydrogen 2.803 N/A ARG 127.A NE SER 124.A O no hydrogen 3.050 N/A ARG 127.A NH1 ASP 148.A OD1 no hydrogen 3.321 N/A ARG 127.A NH1 ASP 239.A OD1 no hydrogen 2.962 N/A ARG 127.A NH2 ASP 148.A OD1 no hydrogen 2.744 N/A MET 128.A N MET 125.A O no hydrogen 3.146 N/A MET 130.A N ARG 126.A O no hydrogen 2.981 N/A ILE 131.A N ARG 127.A O no hydrogen 2.696 N/A SER 132.A N MET 128.A O no hydrogen 3.034 N/A SER 132.A OG MET 128.A O no hydrogen 3.254 N/A SER 132.A OG GLU 129.A O no hydrogen 3.215 N/A ARG 136.A NE GLU 140.A OE2 no hydrogen 2.877 N/A ARG 136.A NH2 GLU 140.A OE1 no hydrogen 3.390 N/A ARG 136.A NH2 GLU 140.A OE2 no hydrogen 3.504 N/A SER 139.A N ARG 135.A O no hydrogen 3.296 N/A SER 139.A N ARG 136.A O no hydrogen 3.031 N/A SER 139.A OG ARG 135.A O no hydrogen 3.441 N/A SER 139.A OG ARG 136.A O no hydrogen 2.956 N/A GLU 140.A N ARG 136.A O no hydrogen 3.131 N/A GLU 140.A N PHE 137.A O no hydrogen 3.090 N/A VAL 141.A N PHE 137.A O no hydrogen 3.005 N/A ASP 142.A N THR 54.A O no hydrogen 2.844 N/A TYR 143.A N THR 54.A O no hydrogen 3.304 N/A LEU 144.A N GLY 209.A O no hydrogen 2.837 N/A VAL 145.A N GLY 56.A O no hydrogen 2.872 N/A CYS 146.A N PHE 207.A O no hydrogen 2.858 N/A CYS 146.A SG THR 58.A OG1 no hydrogen 3.345 N/A VAL 147.A N THR 58.A O no hydrogen 3.143 N/A ASP 148.A N GLY 205.A O no hydrogen 3.087 N/A ASP 150.A N ASP 150.A OD1 no hydrogen 2.659 N/A MET 151.A N VAL 149.A O no hydrogen 2.767 N/A GLU 152.A N THR 279.A O no hydrogen 2.902 N/A PHE 153.A N THR 75.A OG1 no hydrogen 2.998 N/A ARG 154.A N ARG 277.A O no hydrogen 2.716 N/A ARG 154.A NH1 GLN 264.A OE1 no hydrogen 2.691 N/A ARG 154.A NH2 GLN 264.A OE1 no hydrogen 2.984 N/A ASP 155.A N ARG 277.A O no hydrogen 3.175 N/A HIS 156.A N ASP 155.A OD2 no hydrogen 2.702 N/A HIS 156.A NE2 GLU 160.A OE2 no hydrogen 2.680 N/A VAL 157.A N HIS 79.A O no hydrogen 3.022 N/A GLY 158.A N GLU 160.A OE1 no hydrogen 2.904 N/A GLU 160.A N GLU 160.A OE2 no hydrogen 2.817 N/A ILE 161.A N GLY 158.A O no hydrogen 3.179 N/A LEU 162.A N VAL 159.A O no hydrogen 3.007 N/A THR 163.A OG1 THR 253.A OG1 no hydrogen 2.763 N/A LEU 165.A N THR 253.A OG1 no hydrogen 2.997 N/A PHE 166.A N GLY 208.A O no hydrogen 2.787 N/A THR 168.A OG1 PHE 206.A O no hydrogen 2.915 N/A LEU 169.A N LEU 256.A O no hydrogen 2.845 N/A HIS 170.A N TYR 201.A O no hydrogen 2.920 N/A GLY 172.A N HIS 170.A ND1 no hydrogen 2.969 N/A PHE 173.A N HIS 170.A O no hydrogen 3.145 N/A SER 176.A N PHE 173.A O no hydrogen 3.046 N/A SER 176.A OG PHE 173.A O no hydrogen 3.552 N/A ARG 178.A NE GLY 198.A O no hydrogen 2.862 N/A ARG 178.A NH1 GLY 198.A O no hydrogen 3.084 N/A ALA 180.A N SER 177.A O no hydrogen 2.964 N/A PHE 181.A N ARG 178.A O no hydrogen 2.990 N/A TYR 183.A OH PHE 200.A O no hydrogen 2.738 N/A ARG 185.A NH1 ILE 193.A O no hydrogen 2.752 N/A ARG 185.A NH2 ARG 178.A O no hydrogen 2.887 N/A ARG 185.A NH2 PHE 181.A O no hydrogen 3.008 N/A ARG 186.A N GLU 184.A OE1 no hydrogen 2.778 N/A ARG 186.A NE GLU 184.A OE1 no hydrogen 2.908 N/A ARG 186.A NH2 GLU 184.A OE2 no hydrogen 3.069 N/A ARG 186.A NH2 GLU 234.A O no hydrogen 2.987 N/A SER 189.A N ARG 186.A O no hydrogen 3.177 N/A SER 189.A OG ASP 228.A OD1 no hydrogen 2.671 N/A GLN 190.A N ASP 228.A OD2 no hydrogen 2.814 N/A ALA 191.A N SER 189.A OG no hydrogen 3.137 N/A TYR 192.A N SER 189.A O no hydrogen 2.980 N/A ILE 193.A N GLU 184.A O no hydrogen 2.862 N/A GLU 197.A N PRO 194.A O no hydrogen 3.063 N/A TYR 201.A OH GLU 240.A OE1 no hydrogen 2.584 N/A TYR 202.A N ASN 244.A OD1 no hydrogen 2.902 N/A LEU 203.A N THR 168.A O no hydrogen 3.033 N/A GLY 204.A N GLU 240.A OE2 no hydrogen 2.839 N/A PHE 207.A N CYS 146.A O no hydrogen 3.096 N/A GLY 208.A N PHE 166.A O no hydrogen 3.228 N/A GLY 209.A N LEU 144.A O no hydrogen 2.871 N/A SER 210.A N PRO 164.A O no hydrogen 2.793 N/A VAL 211.A N ASP 142.A O no hydrogen 3.393 N/A GLU 213.A N SER 210.A OG no hydrogen 3.227 N/A VAL 214.A N SER 210.A O no hydrogen 2.953 N/A GLN 215.A N VAL 211.A O no hydrogen 2.925 N/A GLN 215.A NE2 ILE 131.A O no hydrogen 3.108 N/A ARG 216.A N GLN 212.A O no hydrogen 3.123 N/A ARG 216.A NH2 GLU 213.A OE1 no hydrogen 2.748 N/A LEU 217.A N GLU 213.A O no hydrogen 2.959 N/A THR 218.A N VAL 214.A O no hydrogen 2.776 N/A THR 218.A OG1 VAL 214.A O no hydrogen 2.935 N/A THR 218.A OG1 GLN 215.A O no hydrogen 3.303 N/A ARG 219.A N GLN 215.A O no hydrogen 2.883 N/A ARG 219.A NH2 GLU 134.A OE2 no hydrogen 3.369 N/A ALA 220.A N ARG 216.A O no hydrogen 2.808 N/A CYS 221.A N LEU 217.A O no hydrogen 2.957 N/A CYS 221.A SG LEU 217.A O no hydrogen 3.404 N/A HIS 222.A N THR 218.A O no hydrogen 2.865 N/A GLN 223.A N ARG 219.A O no hydrogen 2.868 N/A ALA 224.A N ALA 220.A O no hydrogen 2.950 N/A MET 225.A N CYS 221.A O no hydrogen 2.870 N/A MET 226.A N HIS 222.A O no hydrogen 3.041 N/A VAL 227.A N GLN 223.A O no hydrogen 3.009 N/A ASP 228.A N ALA 224.A O no hydrogen 3.052 N/A GLN 229.A N MET 225.A O no hydrogen 2.960 N/A ALA 230.A N MET 226.A O no hydrogen 3.105 N/A ASN 231.A N VAL 227.A O no hydrogen 2.982 N/A GLY 232.A N GLN 229.A O no hydrogen 2.813 N/A ILE 233.A N ASP 228.A O no hydrogen 2.886 N/A VAL 236.A N GLU 184.A OE2 no hydrogen 2.763 N/A TRP 237.A N SER 241.A OG no hydrogen 2.874 N/A HIS 238.A N ALA 235.A O no hydrogen 2.942 N/A SER 241.A N TRP 237.A O no hydrogen 3.344 N/A SER 241.A N HIS 238.A O no hydrogen 3.090 N/A HIS 242.A N HIS 238.A O no hydrogen 3.518 N/A HIS 242.A ND1 HIS 238.A O no hydrogen 3.195 N/A LEU 243.A N ASP 239.A O no hydrogen 2.847 N/A ASN 244.A N GLU 240.A O no hydrogen 3.042 N/A ASN 244.A ND2 TYR 202.A O no hydrogen 2.777 N/A ASN 244.A ND2 GLU 240.A O no hydrogen 2.931 N/A LYS 245.A N SER 241.A O no hydrogen 3.112 N/A LYS 245.A NZ GLN 190.A O no hydrogen 2.850 N/A LYS 245.A NZ TYR 192.A O no hydrogen 2.881 N/A TYR 246.A N HIS 242.A O no hydrogen 2.888 N/A LEU 247.A N LEU 243.A O no hydrogen 2.983 N/A LEU 248.A N ASN 244.A O no hydrogen 2.956 N/A ARG 249.A N LYS 245.A O no hydrogen 3.198 N/A HIS 250.A N TYR 246.A O no hydrogen 2.718 N/A HIS 250.A ND1 TYR 246.A O no hydrogen 2.990 N/A LYS 251.A NZ ASP 199.A OD2 no hydrogen 2.675 N/A LYS 251.A NZ LEU 248.A O no hydrogen 2.793 N/A THR 253.A N LEU 165.A O no hydrogen 2.764 N/A THR 253.A OG1 THR 163.A OG1 no hydrogen 2.763 N/A THR 253.A OG1 LEU 165.A O no hydrogen 3.143 N/A LYS 254.A N LEU 165.A O no hydrogen 3.409 N/A LYS 254.A NZ GLU 160.A O no hydrogen 2.692 N/A LYS 254.A NZ LEU 162.A O no hydrogen 2.810 N/A VAL 255.A N PRO 32.A O no hydrogen 2.947 N/A LEU 256.A N GLY 167.A O no hydrogen 2.823 N/A SER 257.A N VAL 34.A O no hydrogen 3.157 N/A SER 257.A OG VAL 34.A O no hydrogen 2.758 N/A GLU 259.A N SER 257.A OG no hydrogen 3.335 N/A TYR 260.A N SER 257.A O no hydrogen 2.981 N/A TYR 260.A OH GLU 160.A OE1 no hydrogen 2.726 N/A LEU 261.A N PRO 258.A O no hydrogen 3.180 N/A TRP 262.A N PHE 278.A O no hydrogen 3.123 N/A TRP 262.A NE1 GLY 268.A O no hydrogen 2.770 N/A LEU 266.A N ASP 263.A OD1 no hydrogen 3.178 N/A LEU 267.A N ASP 263.A O no hydrogen 2.963 N/A GLY 268.A N GLN 264.A O no hydrogen 2.837 N/A TRP 269.A NE1 LEU 273.A O no hydrogen 2.583 N/A LEU 273.A N PRO 270.A O no hydrogen 2.954 N/A LYS 275.A NZ ASP 155.A OD2 no hydrogen 3.310 N/A ARG 277.A N GLU 259.A O no hydrogen 2.955 N/A ARG 277.A NE GLU 259.A OE2 no hydrogen 2.861 N/A ARG 277.A NH1 HIS 156.A O no hydrogen 2.879 N/A ARG 277.A NH2 GLU 36.A OE1 no hydrogen 2.869 N/A ARG 277.A NH2 GLU 259.A OE2 no hydrogen 2.985 N/A THR 279.A N GLU 152.A O no hydrogen 2.882 N/A ALA 280.A N TRP 262.A O no hydrogen 2.991 N/A VAL 281.A N ASP 150.A O no hydrogen 3.144 N/A LYS 283.A NZ ASP 150.A OD2 no hydrogen 2.899 N/A ALA 287.A N ASN 284.A OD1 no hydrogen 3.423 N/A VAL 288.A N ASN 284.A O no hydrogen 2.948 N/A ARG 289.A N HIS 285.A O no hydrogen 3.159 N/A ASN 290.A N ALA 287.A O no hydrogen 3.513 N/A ASN 290.A ND2 GLN 286.A O no hydrogen 3.030 N/A