Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sxd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG.A LEU 5.A O no hydrogen 2.811 N/A THR 17.A N LYS 14.A O no hydrogen 2.904 N/A THR 17.A OG1 PRO 18.A O no hydrogen 3.529 N/A ARG 20.A NE ASP 22.A OD1 no hydrogen 2.759 N/A ARG 20.A NH1 ASP 22.A OD1 no hydrogen 3.319 N/A ARG 20.A NH1 ASP 22.A OD2 no hydrogen 2.799 N/A ARG 20.A NH1 VAL 262.A O no hydrogen 3.118 N/A ARG 20.A NH2 GLU 36.A O no hydrogen 2.977 N/A ASP 22.A N ASP 22.A OD1 no hydrogen 2.697 N/A THR 27.A N ALA 31.A O no hydrogen 2.668 N/A TRP 29.A N THR 27.A OG1 no hydrogen 3.192 N/A TRP 29.A NE1 PRO 242.A O no hydrogen 2.778 N/A LEU 30.A N THR 27.A O no hydrogen 2.837 N/A ALA 31.A N THR 27.A OG1 no hydrogen 3.097 N/A ILE 33.A N VAL 25.A O no hydrogen 2.823 N/A VAL 34.A N VAL 245.A O no hydrogen 2.970 N/A TRP 35.A NE1 LEU 24.A O no hydrogen 2.987 N/A GLU 36.A N GLU 249.A OE1 no hydrogen 2.741 N/A GLU 36.A N GLU 249.A OE2 no hydrogen 3.228 N/A THR 38.A N TRP 35.A O no hydrogen 3.180 N/A THR 38.A OG1 TRP 35.A O no hydrogen 2.775 N/A LEU 44.A N ASN 40.A O no hydrogen 3.196 N/A ASN 45.A N ILE 41.A O no hydrogen 2.831 N/A GLU 46.A N ASP 42.A O no hydrogen 3.042 N/A GLN 47.A N ILE 43.A O no hydrogen 3.060 N/A PHE 48.A N LEU 44.A O no hydrogen 2.912 N/A ARG 49.A N ASN 45.A O no hydrogen 2.811 N/A LEU 50.A N GLU 46.A O no hydrogen 2.930 N/A GLN 51.A N PHE 48.A O no hydrogen 3.180 N/A ASN 52.A N ARG 49.A O no hydrogen 2.858 N/A THR 53.A N PHE 48.A O no hydrogen 3.223 N/A THR 53.A OG1 PHE 48.A O no hydrogen 2.805 N/A THR 54.A N ASP 132.A OD2 no hydrogen 2.799 N/A ILE 55.A N ARG 85.A O no hydrogen 2.831 N/A GLY 56.A N TYR 133.A O no hydrogen 2.840 N/A LEU 57.A N HIS 87.A O no hydrogen 2.854 N/A THR 58.A N VAL 135.A O no hydrogen 2.709 N/A THR 58.A OG1 VAL 135.A O no hydrogen 3.479 N/A VAL 59.A N TYR 89.A O no hydrogen 3.071 N/A ALA 61.A N PHE 91.A O no hydrogen 2.751 N/A LYS 63.A N ASP 93.A OD1 no hydrogen 3.007 N/A LYS 63.A N ASP 93.A OD2 no hydrogen 3.210 N/A TYR 65.A N ILE 62.A O no hydrogen 3.066 N/A VAL 66.A N LYS 63.A O no hydrogen 3.311 N/A ALA 67.A N LYS 64.A O no hydrogen 3.042 N/A PHE 68.A N TYR 65.A O no hydrogen 3.062 N/A LEU 69.A N VAL 66.A O no hydrogen 3.171 N/A LYS 70.A NZ GLU 74.A OE1 no hydrogen 2.753 N/A LYS 70.A NZ GLU 74.A OE2 no hydrogen 3.277 N/A PHE 72.A N PHE 68.A O no hydrogen 3.082 N/A LEU 73.A N LEU 69.A O no hydrogen 2.819 N/A GLU 74.A N LYS 70.A O no hydrogen 2.927 N/A THR 75.A N LEU 71.A O no hydrogen 2.949 N/A THR 75.A OG1 LEU 71.A O no hydrogen 2.742 N/A THR 75.A OG1 PHE 72.A O no hydrogen 3.231 N/A ALA 76.A N PHE 72.A O no hydrogen 2.966 N/A GLU 77.A N LEU 73.A O no hydrogen 3.053 N/A LYS 78.A N GLU 74.A O no hydrogen 3.334 N/A HIS 79.A N ALA 76.A O no hydrogen 3.161 N/A PHE 80.A N ALA 76.A O no hydrogen 2.802 N/A MET 81.A N VAL 147.A O no hydrogen 2.829 N/A HIS 84.A N MET 81.A O no hydrogen 3.010 N/A VAL 86.A N GLY 106.A O no hydrogen 3.190 N/A HIS 87.A N ILE 55.A O no hydrogen 2.897 N/A HIS 87.A NE2 SER 110.A OG no hydrogen 2.708 N/A TYR 88.A N GLN 108.A O no hydrogen 2.742 N/A TYR 88.A OH GLU 77.A OE1 no hydrogen 2.522 N/A TYR 89.A N LEU 57.A O no hydrogen 2.728 N/A TYR 89.A OH GLU 130.A OE2 no hydrogen 2.537 N/A VAL 90.A N SER 110.A O no hydrogen 2.887 N/A PHE 91.A N VAL 59.A O no hydrogen 2.863 N/A THR 92.A N LEU 112.A O no hydrogen 2.972 N/A THR 92.A OG1 ALA 61.A O no hydrogen 2.643 N/A GLN 94.A N THR 92.A OG1 no hydrogen 3.034 N/A GLN 94.A NE2 LYS 63.A O no hydrogen 2.801 N/A GLN 94.A NE2 ASP 93.A OD1 no hydrogen 3.026 N/A ALA 97.A N GLN 94.A O no hydrogen 2.896 N/A VAL 98.A N PRO 95.A O no hydrogen 3.233 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 2.749 N/A ARG 107.A NH1 PHE 80.A O no hydrogen 3.005 N/A ARG 107.A NH1 MET 81.A O no hydrogen 3.347 N/A ARG 107.A NH2 GLU 77.A OE1 no hydrogen 3.569 N/A ARG 107.A NH2 PHE 80.A O no hydrogen 2.775 N/A ARG 107.A NH2 TYR 88.A OH no hydrogen 3.011 N/A GLN 108.A N VAL 86.A O no hydrogen 2.857 N/A SER 110.A N TYR 88.A O no hydrogen 2.864 N/A SER 110.A OG HIS 87.A NE2 no hydrogen 2.708 N/A LEU 112.A N VAL 90.A O no hydrogen 2.781 N/A VAL 114.A N THR 92.A O no hydrogen 2.874 N/A ARG 117.A NH1 ASP 138.A OD1 no hydrogen 3.062 N/A ARG 117.A NH2 ASP 138.A OD1 no hydrogen 2.597 N/A MET 120.A N ARG 116.A O no hydrogen 2.601 N/A ILE 121.A N ARG 117.A O no hydrogen 2.994 N/A SER 122.A N MET 118.A O no hydrogen 3.114 N/A SER 122.A OG MET 118.A O no hydrogen 2.905 N/A SER 122.A OG GLU 119.A O no hydrogen 3.499 N/A ARG 126.A NE GLU 130.A OE1 no hydrogen 3.520 N/A ARG 126.A NE GLU 130.A OE2 no hydrogen 2.959 N/A PHE 127.A N CYS 123.A O no hydrogen 3.110 N/A LEU 128.A N GLU 124.A O no hydrogen 3.183 N/A SER 129.A N ARG 125.A O no hydrogen 3.058 N/A SER 129.A N ARG 126.A O no hydrogen 2.980 N/A SER 129.A OG ARG 125.A O no hydrogen 3.295 N/A SER 129.A OG ARG 126.A O no hydrogen 2.949 N/A GLU 130.A N PHE 127.A O no hydrogen 3.095 N/A VAL 131.A N PHE 127.A O no hydrogen 3.069 N/A ASP 132.A N THR 54.A O no hydrogen 2.899 N/A TYR 133.A N THR 54.A O no hydrogen 3.302 N/A LEU 134.A N GLY 199.A O no hydrogen 2.803 N/A VAL 135.A N GLY 56.A O no hydrogen 2.898 N/A CYS 136.A N PHE 197.A O no hydrogen 2.757 N/A CYS 136.A SG THR 58.A OG1 no hydrogen 3.401 N/A VAL 137.A N THR 58.A O no hydrogen 3.204 N/A ASP 138.A N ALA 195.A O no hydrogen 3.090 N/A GLU 142.A N THR 269.A O no hydrogen 2.881 N/A PHE 143.A N THR 75.A OG1 no hydrogen 2.938 N/A ARG 144.A N ARG 267.A O no hydrogen 2.816 N/A ARG 144.A NH2 GLN 254.A OE1 no hydrogen 2.560 N/A ASP 145.A N ARG 267.A O no hydrogen 3.288 N/A HIS 146.A N ASP 145.A OD2 no hydrogen 2.758 N/A HIS 146.A NE2 GLU 150.A OE2 no hydrogen 2.598 N/A VAL 147.A N HIS 79.A O no hydrogen 2.871 N/A GLY 148.A N GLU 150.A OE1 no hydrogen 2.867 N/A GLU 150.A N GLU 150.A OE2 no hydrogen 2.873 N/A ILE 151.A N GLY 148.A O no hydrogen 3.118 N/A LEU 152.A N VAL 149.A O no hydrogen 2.910 N/A THR 153.A OG1 THR 243.A OG1 no hydrogen 2.652 N/A LEU 155.A N THR 243.A OG1 no hydrogen 3.055 N/A PHE 156.A N GLY 198.A O no hydrogen 2.870 N/A THR 158.A OG1 PHE 196.A O no hydrogen 2.829 N/A LEU 159.A N LEU 246.A O no hydrogen 2.961 N/A HIS 160.A N TYR 191.A O no hydrogen 2.913 N/A PHE 163.A N HIS 160.A O no hydrogen 3.154 N/A SER 166.A N PHE 163.A O no hydrogen 3.082 N/A ARG 168.A NE GLY 188.A O no hydrogen 2.786 N/A ARG 168.A NH1 GLY 188.A O no hydrogen 2.965 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.907 N/A ALA 170.A N SER 167.A O no hydrogen 3.030 N/A PHE 171.A N ARG 168.A O no hydrogen 2.936 N/A THR 172.A OG1 TYR 191.A OH no hydrogen 3.325 N/A TYR 173.A OH PHE 190.A O no hydrogen 2.733 N/A ARG 175.A NH1 ILE 183.A O no hydrogen 2.729 N/A ARG 175.A NH2 ARG 168.A O no hydrogen 3.020 N/A ARG 175.A NH2 PHE 171.A O no hydrogen 3.064 N/A ARG 176.A N GLU 174.A OE1 no hydrogen 2.948 N/A ARG 176.A NE GLU 174.A OE1 no hydrogen 2.745 N/A ARG 176.A NH2 GLU 174.A OE1 no hydrogen 3.466 N/A ARG 176.A NH2 GLU 174.A OE2 no hydrogen 3.045 N/A ARG 176.A NH2 GLU 224.A O no hydrogen 2.843 N/A SER 179.A N ARG 176.A O no hydrogen 3.080 N/A SER 179.A OG ASP 218.A OD1 no hydrogen 2.832 N/A GLN 180.A N ASP 218.A OD2 no hydrogen 2.791 N/A ALA 181.A N SER 179.A OG no hydrogen 3.000 N/A TYR 182.A N SER 179.A O no hydrogen 3.100 N/A ILE 183.A N GLU 174.A O no hydrogen 3.020 N/A GLU 187.A N PRO 184.A O no hydrogen 3.103 N/A TYR 191.A OH GLU 230.A OE1 no hydrogen 2.654 N/A TYR 192.A N ASN 234.A OD1 no hydrogen 2.851 N/A MET 193.A N THR 158.A O no hydrogen 2.877 N/A GLY 194.A N GLU 230.A OE2 no hydrogen 2.782 N/A PHE 197.A N CYS 136.A O no hydrogen 3.088 N/A GLY 198.A N PHE 156.A O no hydrogen 3.227 N/A GLY 199.A N LEU 134.A O no hydrogen 2.900 N/A SER 200.A N PRO 154.A O no hydrogen 2.842 N/A VAL 201.A N ASP 132.A O no hydrogen 3.281 N/A GLU 203.A N SER 200.A OG no hydrogen 3.095 N/A VAL 204.A N SER 200.A O no hydrogen 2.834 N/A GLN 205.A N VAL 201.A O no hydrogen 2.868 N/A GLN 205.A NE2 GLU 124.A O no hydrogen 3.102 N/A ARG 206.A N GLN 202.A O no hydrogen 3.048 N/A ARG 206.A NH2 GLU 203.A OE1 no hydrogen 2.680 N/A LEU 207.A N GLU 203.A O no hydrogen 2.979 N/A THR 208.A N VAL 204.A O no hydrogen 2.993 N/A THR 208.A OG1 VAL 204.A O no hydrogen 3.081 N/A THR 208.A OG1 GLN 205.A O no hydrogen 3.213 N/A ARG 209.A N GLN 205.A O no hydrogen 2.871 N/A ALA 210.A N ARG 206.A O no hydrogen 2.868 N/A CYS 211.A N LEU 207.A O no hydrogen 2.823 N/A CYS 211.A SG LEU 207.A O no hydrogen 3.364 N/A HIS 212.A N THR 208.A O no hydrogen 2.810 N/A GLN 213.A N ARG 209.A O no hydrogen 2.864 N/A ALA 214.A N ALA 210.A O no hydrogen 2.881 N/A MET 215.A N CYS 211.A O no hydrogen 2.936 N/A MET 216.A N HIS 212.A O no hydrogen 3.054 N/A VAL 217.A N GLN 213.A O no hydrogen 3.032 N/A ASP 218.A N ALA 214.A O no hydrogen 3.004 N/A GLN 219.A N MET 215.A O no hydrogen 2.987 N/A ALA 220.A N MET 216.A O no hydrogen 2.924 N/A ASN 221.A N VAL 217.A O no hydrogen 2.933 N/A GLY 222.A N GLN 219.A O no hydrogen 2.918 N/A ILE 223.A N ASP 218.A O no hydrogen 2.732 N/A VAL 226.A N GLU 174.A OE2 no hydrogen 2.686 N/A TRP 227.A N SER 231.A OG no hydrogen 2.827 N/A HIS 228.A N ALA 225.A O no hydrogen 2.954 N/A HIS 228.A ND1 GLU 224.A OE2 no hydrogen 2.615 N/A GLU 230.A N TRP 227.A O no hydrogen 3.041 N/A SER 231.A N HIS 228.A O no hydrogen 3.040 N/A HIS 232.A N HIS 228.A O no hydrogen 3.480 N/A HIS 232.A ND1 HIS 228.A O no hydrogen 3.167 N/A LEU 233.A N ASP 229.A O no hydrogen 2.821 N/A ASN 234.A N GLU 230.A O no hydrogen 3.029 N/A ASN 234.A ND2 TYR 192.A O no hydrogen 2.859 N/A ASN 234.A ND2 GLU 230.A O no hydrogen 3.002 N/A LYS 235.A N SER 231.A O no hydrogen 3.077 N/A LYS 235.A NZ GLN 180.A O no hydrogen 2.853 N/A LYS 235.A NZ TYR 182.A O no hydrogen 2.970 N/A TYR 236.A N HIS 232.A O no hydrogen 2.903 N/A LEU 237.A N LEU 233.A O no hydrogen 2.954 N/A LEU 238.A N ASN 234.A O no hydrogen 2.964 N/A ARG 239.A N LYS 235.A O no hydrogen 3.180 N/A ARG 239.A NH2 GLU 187.A OE1 no hydrogen 2.617 N/A HIS 240.A N TYR 236.A O no hydrogen 2.833 N/A HIS 240.A ND1 TYR 236.A O no hydrogen 3.149 N/A LYS 241.A NZ ASP 189.A OD2 no hydrogen 2.703 N/A LYS 241.A NZ LEU 238.A O no hydrogen 2.781 N/A THR 243.A N LEU 155.A O no hydrogen 2.699 N/A THR 243.A OG1 THR 153.A OG1 no hydrogen 2.652 N/A THR 243.A OG1 LEU 155.A O no hydrogen 3.143 N/A LYS 244.A N LEU 155.A O no hydrogen 3.309 N/A LYS 244.A NZ GLU 150.A O no hydrogen 2.790 N/A LYS 244.A NZ LEU 152.A O no hydrogen 2.763 N/A VAL 245.A N PRO 32.A O no hydrogen 2.903 N/A LEU 246.A N GLY 157.A O no hydrogen 2.837 N/A SER 247.A N VAL 34.A O no hydrogen 3.196 N/A SER 247.A OG VAL 34.A O no hydrogen 2.788 N/A GLU 249.A N SER 247.A OG no hydrogen 3.406 N/A TYR 250.A N SER 247.A O no hydrogen 3.010 N/A TYR 250.A OH GLU 150.A OE1 no hydrogen 2.710 N/A LEU 251.A N PRO 248.A O no hydrogen 3.073 N/A TRP 252.A N PHE 268.A O no hydrogen 2.989 N/A TRP 252.A NE1 GLY 258.A O no hydrogen 2.731 N/A LEU 256.A N ASP 253.A OD1 no hydrogen 3.077 N/A LEU 257.A N ASP 253.A O no hydrogen 2.773 N/A GLY 258.A N GLN 254.A O no hydrogen 2.802 N/A TRP 259.A NE1 LEU 263.A O no hydrogen 2.722 N/A LEU 263.A N PRO 260.A O no hydrogen 3.043 N/A LYS 265.A NZ ASP 145.A OD2 no hydrogen 3.359 N/A ARG 267.A N GLU 249.A O no hydrogen 2.752 N/A ARG 267.A NE GLU 249.A OE2 no hydrogen 2.798 N/A ARG 267.A NH1 HIS 146.A O no hydrogen 2.974 N/A ARG 267.A NH2 GLU 36.A OE1 no hydrogen 2.765 N/A ARG 267.A NH2 GLU 249.A OE2 no hydrogen 2.913 N/A THR 269.A N GLU 142.A O no hydrogen 2.963 N/A ALA 270.A N TRP 252.A O no hydrogen 2.822 N/A VAL 271.A N ASP 140.A O no hydrogen 3.320 N/A