Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sxe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG LEU 5.A O no hydrogen 3.077 N/A THR 17.A N LYS 14.A O no hydrogen 3.025 N/A ARG 20.A NE ASP 22.A OD1 no hydrogen 2.851 N/A ARG 20.A NH1 ASP 22.A OD1 no hydrogen 3.469 N/A ARG 20.A NH1 ASP 22.A OD2 no hydrogen 2.866 N/A ARG 20.A NH1 VAL 274.A O no hydrogen 2.967 N/A ARG 20.A NH2 GLU 36.A O no hydrogen 2.880 N/A ASP 22.A N ASP 22.A OD1 no hydrogen 2.629 N/A THR 27.A N ALA 31.A O no hydrogen 2.736 N/A THR 27.A OG1 ALA 31.A O no hydrogen 3.516 N/A TRP 29.A N THR 27.A OG1 no hydrogen 3.233 N/A TRP 29.A NE1 PRO 254.A O no hydrogen 2.745 N/A LEU 30.A N THR 27.A O no hydrogen 2.788 N/A ALA 31.A N THR 27.A OG1 no hydrogen 3.016 N/A ILE 33.A N VAL 25.A O no hydrogen 2.921 N/A VAL 34.A N VAL 257.A O no hydrogen 2.866 N/A TRP 35.A NE1 LEU 24.A O no hydrogen 2.998 N/A GLU 36.A N GLU 261.A OE1 no hydrogen 2.719 N/A THR 38.A N TRP 35.A O no hydrogen 3.049 N/A THR 38.A OG1 TRP 35.A O no hydrogen 2.696 N/A ASP 42.A N ASN 40.A OD1 no hydrogen 2.769 N/A ILE 43.A N ASN 40.A OD1 no hydrogen 3.113 N/A LEU 44.A N ASN 40.A O no hydrogen 3.179 N/A ASN 45.A N ILE 41.A O no hydrogen 2.835 N/A GLU 46.A N ASP 42.A O no hydrogen 3.096 N/A GLN 47.A N ILE 43.A O no hydrogen 3.008 N/A PHE 48.A N LEU 44.A O no hydrogen 2.956 N/A ARG 49.A N ASN 45.A O no hydrogen 2.819 N/A LEU 50.A N GLU 46.A O no hydrogen 2.931 N/A GLN 51.A N PHE 48.A O no hydrogen 3.209 N/A ASN 52.A N ARG 49.A O no hydrogen 2.899 N/A THR 53.A N PHE 48.A O no hydrogen 3.262 N/A THR 53.A OG1 PHE 48.A O no hydrogen 2.784 N/A THR 54.A N ASP 144.A OD2 no hydrogen 2.885 N/A ILE 55.A N ARG 85.A O no hydrogen 2.906 N/A GLY 56.A N TYR 145.A O no hydrogen 2.841 N/A LEU 57.A N HIS 87.A O no hydrogen 2.966 N/A THR 58.A N VAL 147.A O no hydrogen 2.797 N/A VAL 59.A N TYR 89.A O no hydrogen 3.104 N/A ALA 61.A N PHE 91.A O no hydrogen 2.820 N/A LYS 63.A N ASP 93.A OD1 no hydrogen 2.923 N/A LYS 63.A NZ TYR 117.A O no hydrogen 2.844 N/A LYS 64.A NZ ALA 289.A O no hydrogen 2.963 N/A LYS 64.A NZ ASN 292.A O no hydrogen 2.664 N/A TYR 65.A N ILE 62.A O no hydrogen 3.160 N/A VAL 66.A N LYS 63.A O no hydrogen 3.360 N/A ALA 67.A N LYS 64.A O no hydrogen 3.129 N/A PHE 68.A N TYR 65.A O no hydrogen 3.097 N/A LEU 69.A N VAL 66.A O no hydrogen 3.211 N/A LYS 70.A NZ GLU 74.A OE1 no hydrogen 3.566 N/A LYS 70.A NZ GLU 74.A OE2 no hydrogen 2.991 N/A PHE 72.A N PHE 68.A O no hydrogen 3.104 N/A LEU 73.A N LEU 69.A O no hydrogen 2.888 N/A GLU 74.A N LYS 70.A O no hydrogen 2.936 N/A THR 75.A N LEU 71.A O no hydrogen 3.021 N/A THR 75.A OG1 LEU 71.A O no hydrogen 2.789 N/A THR 75.A OG1 PHE 72.A O no hydrogen 3.236 N/A ALA 76.A N PHE 72.A O no hydrogen 2.848 N/A GLU 77.A N LEU 73.A O no hydrogen 2.959 N/A LYS 78.A N THR 75.A O no hydrogen 2.946 N/A HIS 79.A N THR 75.A O no hydrogen 3.007 N/A HIS 79.A N ALA 76.A O no hydrogen 3.243 N/A PHE 80.A N ALA 76.A O no hydrogen 2.835 N/A MET 81.A N VAL 159.A O no hydrogen 2.904 N/A HIS 84.A N MET 81.A O no hydrogen 2.982 N/A ARG 85.A NE THR 54.A OG1 no hydrogen 2.764 N/A VAL 86.A N GLY 106.A O no hydrogen 3.235 N/A HIS 87.A N ILE 55.A O no hydrogen 2.939 N/A HIS 87.A NE2 SER 110.A OG no hydrogen 2.750 N/A TYR 88.A N GLN 108.A O no hydrogen 2.784 N/A TYR 88.A OH GLU 77.A OE1 no hydrogen 2.617 N/A TYR 89.A N LEU 57.A O no hydrogen 2.811 N/A TYR 89.A OH GLU 142.A OE1 no hydrogen 2.649 N/A VAL 90.A N SER 110.A O no hydrogen 2.968 N/A PHE 91.A N VAL 59.A O no hydrogen 2.937 N/A THR 92.A N LEU 112.A O no hydrogen 2.964 N/A THR 92.A OG1 ALA 61.A O no hydrogen 2.684 N/A GLN 94.A N THR 92.A OG1 no hydrogen 3.007 N/A ALA 97.A N GLN 94.A O no hydrogen 2.862 N/A VAL 98.A N PRO 95.A O no hydrogen 3.251 N/A GLY 104.A N GLU 77.A OE2 no hydrogen 2.763 N/A ARG 107.A NE GLU 77.A OE1 no hydrogen 2.770 N/A ARG 107.A NH1 PHE 80.A O no hydrogen 3.021 N/A ARG 107.A NH1 MET 81.A O no hydrogen 3.349 N/A ARG 107.A NH2 GLU 77.A OE1 no hydrogen 3.548 N/A ARG 107.A NH2 PHE 80.A O no hydrogen 2.895 N/A ARG 107.A NH2 TYR 88.A OH no hydrogen 2.930 N/A GLN 108.A N VAL 86.A O no hydrogen 2.912 N/A SER 110.A N TYR 88.A O no hydrogen 2.844 N/A SER 110.A OG HIS 87.A NE2 no hydrogen 2.750 N/A LEU 112.A N VAL 90.A O no hydrogen 2.819 N/A VAL 114.A N THR 92.A O no hydrogen 2.935 N/A ARG 119.A NH1 ASP 122.A OD2 no hydrogen 3.177 N/A ARG 119.A NH1 GLU 236.A OE2 no hydrogen 2.844 N/A ARG 119.A NH2 GLU 236.A OE1 no hydrogen 3.084 N/A ARG 119.A NH2 GLU 236.A OE2 no hydrogen 3.303 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 2.803 N/A VAL 123.A N ARG 119.A O no hydrogen 3.031 N/A SER 124.A N TRP 120.A O no hydrogen 2.902 N/A SER 124.A OG ASP 241.A OD1 no hydrogen 3.310 N/A SER 124.A OG ASP 241.A OD2 no hydrogen 2.743 N/A MET 125.A N GLN 121.A O no hydrogen 2.826 N/A ARG 126.A N ASP 122.A O no hydrogen 2.759 N/A ARG 126.A NH1 GLU 129.A OE1 no hydrogen 3.247 N/A ARG 127.A N SER 124.A O no hydrogen 3.388 N/A ARG 127.A NE SER 124.A O no hydrogen 3.074 N/A ARG 127.A NH1 ASP 150.A OD2 no hydrogen 3.528 N/A ARG 127.A NH1 ASP 241.A OD1 no hydrogen 2.924 N/A ARG 127.A NH2 ASP 150.A OD2 no hydrogen 2.906 N/A MET 128.A N MET 125.A O no hydrogen 3.186 N/A MET 130.A N ARG 126.A O no hydrogen 3.078 N/A ILE 131.A N ARG 127.A O no hydrogen 2.810 N/A SER 132.A N MET 128.A O no hydrogen 2.973 N/A SER 132.A OG MET 128.A O no hydrogen 3.300 N/A SER 132.A OG GLU 129.A O no hydrogen 3.038 N/A ASP 133.A N GLU 129.A O no hydrogen 2.851 N/A PHE 134.A N MET 130.A O no hydrogen 3.066 N/A CYS 135.A N ILE 131.A O no hydrogen 2.899 N/A CYS 135.A N SER 132.A O no hydrogen 3.159 N/A CYS 135.A SG ILE 131.A O no hydrogen 3.239 N/A GLU 136.A N SER 132.A O no hydrogen 3.266 N/A ARG 138.A NE GLU 142.A OE1 no hydrogen 2.847 N/A ARG 138.A NE GLU 142.A OE2 no hydrogen 3.204 N/A ARG 138.A NH2 GLU 142.A OE1 no hydrogen 3.288 N/A ARG 138.A NH2 GLU 142.A OE2 no hydrogen 2.830 N/A PHE 139.A N PHE 134.A O no hydrogen 2.998 N/A LEU 140.A N CYS 135.A O no hydrogen 3.363 N/A SER 141.A N ARG 137.A O no hydrogen 3.438 N/A SER 141.A N ARG 138.A O no hydrogen 3.177 N/A SER 141.A OG ARG 137.A O no hydrogen 3.525 N/A SER 141.A OG ARG 138.A O no hydrogen 2.925 N/A GLU 142.A N PHE 139.A O no hydrogen 3.028 N/A VAL 143.A N PHE 139.A O no hydrogen 2.939 N/A ASP 144.A N THR 54.A O no hydrogen 2.840 N/A TYR 145.A N THR 54.A O no hydrogen 3.307 N/A LEU 146.A N GLY 211.A O no hydrogen 2.826 N/A VAL 147.A N GLY 56.A O no hydrogen 2.776 N/A CYS 148.A N PHE 209.A O no hydrogen 2.761 N/A CYS 148.A SG THR 58.A OG1 no hydrogen 3.386 N/A VAL 149.A N THR 58.A O no hydrogen 3.147 N/A ASP 150.A N GLY 207.A O no hydrogen 3.011 N/A ASP 152.A N ASP 152.A OD1 no hydrogen 2.711 N/A GLU 154.A N THR 281.A O no hydrogen 2.949 N/A PHE 155.A N THR 75.A OG1 no hydrogen 2.896 N/A ARG 156.A N ARG 279.A O no hydrogen 2.778 N/A ARG 156.A NH2 GLN 266.A OE1 no hydrogen 2.774 N/A ASP 157.A N ARG 279.A O no hydrogen 3.155 N/A HIS 158.A N ASP 157.A OD2 no hydrogen 2.769 N/A HIS 158.A NE2 GLU 162.A OE2 no hydrogen 2.666 N/A VAL 159.A N HIS 79.A O no hydrogen 2.944 N/A GLY 160.A N GLU 162.A OE1 no hydrogen 2.888 N/A GLU 162.A N GLU 162.A OE2 no hydrogen 2.826 N/A ILE 163.A N GLY 160.A O no hydrogen 3.081 N/A LEU 164.A N VAL 161.A O no hydrogen 3.026 N/A THR 165.A OG1 THR 255.A OG1 no hydrogen 2.685 N/A LEU 167.A N THR 255.A OG1 no hydrogen 2.948 N/A PHE 168.A N GLY 210.A O no hydrogen 2.865 N/A THR 170.A OG1 PHE 208.A O no hydrogen 2.926 N/A LEU 171.A N LEU 258.A O no hydrogen 2.874 N/A HIS 172.A N TYR 203.A O no hydrogen 2.908 N/A PHE 175.A N HIS 172.A O no hydrogen 3.169 N/A SER 178.A N PHE 175.A O no hydrogen 2.900 N/A ARG 180.A NE GLY 200.A O no hydrogen 2.837 N/A ARG 180.A NH2 GLY 200.A O no hydrogen 2.936 N/A GLU 181.A N GLU 181.A OE2 no hydrogen 2.783 N/A ALA 182.A N SER 179.A O no hydrogen 2.946 N/A PHE 183.A N ARG 180.A O no hydrogen 3.024 N/A THR 184.A OG1 TYR 203.A OH no hydrogen 3.397 N/A TYR 185.A OH PHE 202.A O no hydrogen 2.686 N/A ARG 187.A NH1 ILE 195.A O no hydrogen 2.939 N/A ARG 187.A NH2 ARG 180.A O no hydrogen 2.988 N/A ARG 187.A NH2 PHE 183.A O no hydrogen 2.920 N/A ARG 188.A N GLU 186.A OE1 no hydrogen 2.884 N/A ARG 188.A NE GLU 186.A OE1 no hydrogen 2.740 N/A ARG 188.A NH2 GLU 186.A OE2 no hydrogen 2.947 N/A ARG 188.A NH2 GLU 236.A O no hydrogen 2.818 N/A SER 191.A N ARG 188.A O no hydrogen 2.965 N/A SER 191.A OG ASP 230.A OD2 no hydrogen 2.708 N/A GLN 192.A N ASP 230.A OD1 no hydrogen 2.818 N/A ALA 193.A N SER 191.A OG no hydrogen 3.012 N/A TYR 194.A N SER 191.A O no hydrogen 3.031 N/A ILE 195.A N GLU 186.A O no hydrogen 2.995 N/A GLU 199.A N PRO 196.A O no hydrogen 2.996 N/A TYR 203.A OH GLU 242.A OE2 no hydrogen 2.702 N/A TYR 204.A N ASN 246.A OD1 no hydrogen 2.843 N/A LEU 205.A N THR 170.A O no hydrogen 2.966 N/A GLY 206.A N GLU 242.A OE1 no hydrogen 2.795 N/A PHE 209.A N CYS 148.A O no hydrogen 3.127 N/A GLY 210.A N PHE 168.A O no hydrogen 3.184 N/A GLY 211.A N LEU 146.A O no hydrogen 2.899 N/A SER 212.A N PRO 166.A O no hydrogen 2.810 N/A VAL 213.A N ASP 144.A O no hydrogen 3.426 N/A GLU 215.A N SER 212.A OG no hydrogen 3.085 N/A VAL 216.A N SER 212.A O no hydrogen 2.883 N/A GLN 217.A N VAL 213.A O no hydrogen 2.796 N/A ARG 218.A N GLN 214.A O no hydrogen 3.023 N/A ARG 218.A NH2 GLU 215.A OE2 no hydrogen 2.690 N/A LEU 219.A N GLU 215.A O no hydrogen 2.897 N/A THR 220.A N VAL 216.A O no hydrogen 2.881 N/A THR 220.A OG1 VAL 216.A O no hydrogen 2.882 N/A THR 220.A OG1 GLN 217.A O no hydrogen 3.296 N/A ARG 221.A N GLN 217.A O no hydrogen 2.872 N/A ALA 222.A N ARG 218.A O no hydrogen 2.923 N/A CYS 223.A N LEU 219.A O no hydrogen 2.878 N/A CYS 223.A SG LEU 219.A O no hydrogen 3.379 N/A HIS 224.A N THR 220.A O no hydrogen 2.903 N/A GLN 225.A N ARG 221.A O no hydrogen 2.868 N/A ALA 226.A N ALA 222.A O no hydrogen 2.990 N/A MET 227.A N CYS 223.A O no hydrogen 2.930 N/A MET 228.A N HIS 224.A O no hydrogen 2.877 N/A VAL 229.A N GLN 225.A O no hydrogen 3.049 N/A ASP 230.A N ALA 226.A O no hydrogen 3.043 N/A GLN 231.A N MET 227.A O no hydrogen 2.907 N/A ALA 232.A N MET 228.A O no hydrogen 2.958 N/A ASN 233.A N VAL 229.A O no hydrogen 2.963 N/A GLY 234.A N GLN 231.A O no hydrogen 2.958 N/A ILE 235.A N ASP 230.A O no hydrogen 2.969 N/A VAL 238.A N GLU 186.A OE2 no hydrogen 2.771 N/A TRP 239.A N SER 243.A OG no hydrogen 2.851 N/A HIS 240.A N ALA 237.A O no hydrogen 2.898 N/A SER 243.A N TRP 239.A O no hydrogen 3.340 N/A SER 243.A N HIS 240.A O no hydrogen 3.114 N/A HIS 244.A N HIS 240.A O no hydrogen 3.483 N/A HIS 244.A ND1 HIS 240.A O no hydrogen 3.222 N/A LEU 245.A N ASP 241.A O no hydrogen 2.849 N/A ASN 246.A N GLU 242.A O no hydrogen 2.995 N/A ASN 246.A ND2 TYR 204.A O no hydrogen 2.830 N/A ASN 246.A ND2 GLU 242.A O no hydrogen 2.905 N/A LYS 247.A N SER 243.A O no hydrogen 3.070 N/A LYS 247.A NZ GLN 192.A O no hydrogen 2.953 N/A LYS 247.A NZ TYR 194.A O no hydrogen 2.842 N/A TYR 248.A N HIS 244.A O no hydrogen 2.924 N/A LEU 249.A N LEU 245.A O no hydrogen 2.883 N/A LEU 250.A N ASN 246.A O no hydrogen 2.972 N/A ARG 251.A N LYS 247.A O no hydrogen 3.241 N/A HIS 252.A N TYR 248.A O no hydrogen 2.833 N/A HIS 252.A ND1 TYR 248.A O no hydrogen 3.092 N/A LYS 253.A NZ ASP 201.A OD2 no hydrogen 2.800 N/A LYS 253.A NZ LEU 250.A O no hydrogen 2.850 N/A THR 255.A N LEU 167.A O no hydrogen 2.714 N/A THR 255.A OG1 THR 165.A OG1 no hydrogen 2.685 N/A THR 255.A OG1 LEU 167.A O no hydrogen 3.102 N/A LYS 256.A N LEU 167.A O no hydrogen 3.331 N/A LYS 256.A NZ GLU 162.A O no hydrogen 2.756 N/A LYS 256.A NZ LEU 164.A O no hydrogen 2.797 N/A VAL 257.A N PRO 32.A O no hydrogen 2.920 N/A LEU 258.A N GLY 169.A O no hydrogen 2.769 N/A SER 259.A N VAL 34.A O no hydrogen 3.101 N/A SER 259.A OG VAL 34.A O no hydrogen 2.738 N/A GLU 261.A N SER 259.A OG no hydrogen 3.351 N/A TYR 262.A N SER 259.A O no hydrogen 3.027 N/A TYR 262.A OH GLU 162.A OE1 no hydrogen 2.617 N/A LEU 263.A N PRO 260.A O no hydrogen 3.162 N/A TRP 264.A N PHE 280.A O no hydrogen 2.926 N/A TRP 264.A NE1 GLY 270.A O no hydrogen 2.721 N/A LEU 268.A N ASP 265.A OD1 no hydrogen 3.193 N/A LEU 269.A N ASP 265.A O no hydrogen 2.905 N/A GLY 270.A N GLN 266.A O no hydrogen 2.792 N/A TRP 271.A NE1 LEU 275.A O no hydrogen 2.746 N/A LEU 275.A N PRO 272.A O no hydrogen 2.936 N/A LYS 277.A NZ ASP 157.A OD2 no hydrogen 3.253 N/A ARG 279.A N GLU 261.A O no hydrogen 2.872 N/A ARG 279.A NE GLU 261.A OE2 no hydrogen 2.869 N/A ARG 279.A NH1 HIS 158.A O no hydrogen 2.923 N/A ARG 279.A NH2 GLU 36.A OE2 no hydrogen 2.888 N/A ARG 279.A NH2 GLU 261.A OE2 no hydrogen 2.920 N/A THR 281.A N GLU 154.A O no hydrogen 2.840 N/A ALA 282.A N TRP 264.A O no hydrogen 2.926 N/A VAL 283.A N ASP 152.A O no hydrogen 2.984 N/A LYS 285.A NZ ASP 152.A OD2 no hydrogen 2.825 N/A LYS 285.A NZ HIS 287.A NE2 no hydrogen 3.494 N/A ALA 289.A N ASN 286.A OD1 no hydrogen 3.004 N/A VAL 290.A N ASN 286.A O no hydrogen 2.954 N/A ARG 291.A N HIS 287.A O no hydrogen 3.016 N/A ARG 291.A NE TYR 65.A OH no hydrogen 3.463 N/A ASN 292.A ND2 GLN 288.A O no hydrogen 2.870 N/A