Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ekm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ALA 285.A O no hydrogen 2.885 N/A HIS 4.A ND1 SER 284.A OG no hydrogen 2.792 N/A PHE 5.A N GLY 283.A O no hydrogen 2.931 N/A VAL 6.A N LEU 17.A O no hydrogen 3.002 N/A LYS 7.A N PHE 281.A O no hydrogen 2.657 N/A LYS 7.A NZ ASP 14.A OD2 no hydrogen 2.751 N/A LYS 7.A NZ GLY 44.A O no hydrogen 3.086 N/A TYR 8.A N PHE 15.A O no hydrogen 3.066 N/A HIS 9.A N GLU 278.A O no hydrogen 3.115 N/A GLY 10.A N ASN 13.A O no hydrogen 2.883 N/A GLY 12.A N HIS 9.A ND1 no hydrogen 3.092 N/A ASN 13.A N GLY 10.A O no hydrogen 3.104 N/A ASN 13.A ND2 ASP 46.A OD2 no hydrogen 2.826 N/A PHE 15.A N TYR 8.A O no hydrogen 2.810 N/A ILE 16.A N GLY 47.A O no hydrogen 3.012 N/A LEU 17.A N VAL 6.A O no hydrogen 2.898 N/A VAL 18.A N ILE 49.A O no hydrogen 2.966 N/A ASN 20.A N ALA 51.A O no hydrogen 2.898 N/A ARG 21.A N ASP 19.A OD1 no hydrogen 3.213 N/A ARG 21.A NE ASP 19.A OD1 no hydrogen 2.794 N/A ARG 21.A NE ASP 19.A OD2 no hydrogen 3.393 N/A ARG 21.A NH1 GLU 90.A OE1 no hydrogen 3.177 N/A ARG 21.A NH2 ASP 19.A OD2 no hydrogen 2.735 N/A SER 23.A N ASN 20.A O no hydrogen 3.376 N/A GLU 25.A N SER 23.A OG no hydrogen 3.042 N/A LYS 27.A NZ ASP 19.A O no hydrogen 2.874 N/A THR 29.A N GLN 32.A OE1 no hydrogen 2.847 N/A THR 29.A OG1 GLU 31.A OE2 no hydrogen 3.377 N/A GLN 32.A N THR 29.A OG1 no hydrogen 3.053 N/A ALA 33.A N THR 29.A O no hydrogen 3.001 N/A ALA 34.A N GLN 30.A O no hydrogen 2.991 N/A LYS 35.A N GLU 31.A O no hydrogen 3.185 N/A LEU 36.A N GLN 32.A O no hydrogen 2.927 N/A CYS 37.A N ALA 33.A O no hydrogen 2.930 N/A CYS 37.A SG ALA 33.A O no hydrogen 3.275 N/A ASP 38.A N LYS 35.A O no hydrogen 3.149 N/A ARG 39.A NH1 ASP 14.A OD2 no hydrogen 2.964 N/A ARG 39.A NH2 ASP 14.A OD1 no hydrogen 2.943 N/A ARG 39.A NH2 ASP 14.A OD2 no hydrogen 3.369 N/A ARG 39.A NH2 ASP 46.A OD1 no hydrogen 2.976 N/A ASN 40.A N ASP 38.A OD2 no hydrogen 2.941 N/A PHE 41.A N ASP 38.A OD2 no hydrogen 2.785 N/A GLY 42.A N ASP 38.A O no hydrogen 2.905 N/A VAL 43.A N LEU 36.A O no hydrogen 2.717 N/A GLY 44.A N LEU 36.A O no hydrogen 2.903 N/A ALA 45.A N CYS 37.A O no hydrogen 3.208 N/A ASP 46.A N ASP 14.A O no hydrogen 2.857 N/A VAL 48.A N PHE 65.A O no hydrogen 2.920 N/A ILE 49.A N ILE 16.A O no hydrogen 2.833 N/A PHE 50.A N ARG 63.A O no hydrogen 2.868 N/A ALA 51.A N VAL 18.A O no hydrogen 3.097 N/A MET 52.A N ALA 61.A O no hydrogen 2.773 N/A VAL 55.A N THR 58.A OG1 no hydrogen 2.861 N/A THR 58.A N VAL 55.A O no hydrogen 3.200 N/A THR 58.A OG1 VAL 55.A O no hydrogen 3.222 N/A THR 58.A OG1 TYR 60.A O no hydrogen 2.802 N/A ASP 59.A N THR 99.A OG1 no hydrogen 2.703 N/A TYR 60.A N THR 99.A O no hydrogen 3.045 N/A ALA 61.A N MET 52.A O no hydrogen 2.928 N/A MET 62.A N HIS 101.A O no hydrogen 2.904 N/A ARG 63.A N PHE 50.A O no hydrogen 3.400 N/A ARG 63.A NE GLU 71.A OE2 no hydrogen 2.862 N/A ARG 63.A NH2 GLU 71.A OE1 no hydrogen 2.830 N/A ARG 63.A NH2 GLU 71.A OE2 no hydrogen 3.488 N/A PHE 65.A N VAL 48.A O no hydrogen 2.909 N/A ASN 66.A N SER 70.A O no hydrogen 2.703 N/A ASN 66.A ND2 SER 70.A OG no hydrogen 2.902 N/A SER 67.A OG GLY 223.A O no hydrogen 3.374 N/A GLY 69.A N ASN 66.A O no hydrogen 2.780 N/A SER 70.A N ASP 68.A OD1 no hydrogen 2.884 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.581 N/A SER 70.A OG ASP 68.A OD2 no hydrogen 3.400 N/A ASN 77.A ND2 ASN 13.A OD1 no hydrogen 2.900 N/A VAL 79.A N CYS 75.A O no hydrogen 2.917 N/A ARG 80.A N GLY 76.A O no hydrogen 3.330 N/A ARG 80.A NE PRO 276.A O no hydrogen 2.744 N/A ARG 80.A NH1 ASN 77.A OD1 no hydrogen 2.950 N/A ARG 80.A NH2 ASN 77.A OD1 no hydrogen 2.827 N/A ARG 80.A NH2 PRO 276.A O no hydrogen 3.012 N/A CYS 81.A N ASN 77.A O no hydrogen 3.256 N/A CYS 81.A SG ASN 77.A O no hydrogen 3.346 N/A PHE 82.A N GLY 78.A O no hydrogen 2.799 N/A ALA 83.A N VAL 79.A O no hydrogen 3.027 N/A ARG 84.A N ARG 80.A O no hydrogen 3.350 N/A PHE 85.A N CYS 81.A O no hydrogen 2.835 N/A ILE 86.A N PHE 82.A O no hydrogen 2.979 N/A ALA 87.A N ALA 83.A O no hydrogen 3.042 N/A GLU 88.A N ARG 84.A O no hydrogen 2.934 N/A LEU 89.A N PHE 85.A O no hydrogen 2.931 N/A GLU 90.A N ILE 86.A O no hydrogen 2.824 N/A ASN 91.A N GLU 88.A O no hydrogen 3.025 N/A ASN 91.A ND2 GLN 93.A OE1 no hydrogen 3.485 N/A LEU 92.A N ALA 87.A O no hydrogen 2.710 N/A LYS 95.A NZ ASP 113.A OD2 no hydrogen 3.129 N/A HIS 96.A NE2 GLN 93.A O no hydrogen 2.818 N/A PHE 98.A N PRO 109.A O no hydrogen 3.164 N/A THR 99.A N ASP 59.A OD2 no hydrogen 2.818 N/A ILE 100.A N ILE 107.A O no hydrogen 2.877 N/A HIS 101.A N TYR 60.A O no hydrogen 2.873 N/A THR 102.A N GLY 105.A O no hydrogen 2.935 N/A THR 102.A OG1 GLY 105.A O no hydrogen 3.035 N/A ALA 104.A N THR 102.A OG1 no hydrogen 3.099 N/A GLY 105.A N THR 102.A O no hydrogen 2.859 N/A ILE 107.A N ILE 100.A O no hydrogen 2.890 N/A VAL 108.A N ASP 120.A O no hydrogen 3.173 N/A GLU 110.A N LYS 118.A O no hydrogen 2.695 N/A ILE 111.A N HIS 96.A O no hydrogen 2.845 N/A GLN 112.A N GLN 116.A O no hydrogen 2.762 N/A GLN 112.A NE2 GLU 110.A O no hydrogen 3.038 N/A GLN 112.A NE2 GLU 110.A OE2 no hydrogen 2.994 N/A GLY 115.A N GLN 112.A O no hydrogen 3.102 N/A GLN 116.A N ASP 114.A OD1 no hydrogen 2.541 N/A VAL 117.A N GLY 275.A O no hydrogen 2.985 N/A LYS 118.A N GLU 110.A O no hydrogen 2.823 N/A VAL 119.A N MET 273.A O no hydrogen 2.700 N/A ASP 120.A N VAL 108.A O no hydrogen 2.981 N/A MET 121.A N ILE 271.A O no hydrogen 2.792 N/A GLY 122.A N ASP 120.A OD1 no hydrogen 2.895 N/A ILE 125.A N SER 161.A O no hydrogen 2.867 N/A ALA 128.A N GLU 141.A O no hydrogen 2.876 N/A ASP 130.A N LYS 127.A O no hydrogen 2.778 N/A VAL 131.A N ALA 128.A O no hydrogen 3.122 N/A THR 133.A N ALA 128.A O no hydrogen 2.923 N/A THR 133.A OG1 MET 197.A O no hydrogen 3.077 N/A LYS 134.A N MET 197.A O no hydrogen 2.871 N/A LEU 135.A N THR 133.A OG1 no hydrogen 3.255 N/A ASN 138.A N ALA 142.A O no hydrogen 2.987 N/A ASN 138.A ND2 ALA 142.A O no hydrogen 3.053 N/A LYS 139.A N ALA 142.A O no hydrogen 3.113 N/A ALA 142.A N LYS 139.A O no hydrogen 3.056 N/A GLU 145.A N THR 158.A OG1 no hydrogen 2.929 N/A ALA 146.A N VAL 157.A O no hydrogen 2.765 N/A LEU 148.A N TRP 155.A O no hydrogen 2.715 N/A VAL 150.A N VAL 153.A O no hydrogen 2.726 N/A VAL 153.A N VAL 150.A O no hydrogen 2.835 N/A SER 154.A OG GLU 147.A OE2 no hydrogen 2.550 N/A TRP 155.A N LEU 148.A O no hydrogen 2.825 N/A ASN 156.A N GLY 171.A O no hydrogen 3.386 N/A ASN 156.A ND2 TRP 155.A O no hydrogen 3.484 N/A VAL 157.A N ALA 146.A O no hydrogen 2.750 N/A THR 158.A N ILE 168.A O no hydrogen 2.838 N/A THR 158.A OG1 GLU 244.A OE2 no hydrogen 2.552 N/A CYS 159.A N VAL 143.A O no hydrogen 2.975 N/A VAL 160.A N HIS 166.A O no hydrogen 3.134 N/A SER 161.A N ILE 125.A O no hydrogen 2.889 N/A SER 161.A OG ASN 164.A O no hydrogen 3.483 N/A MET 162.A N ASN 164.A O no hydrogen 3.023 N/A GLY 163.A N SER 161.A OG no hydrogen 2.875 N/A ASN 164.A ND2 THR 232.A OG1 no hydrogen 3.074 N/A HIS 166.A ND1 GLU 205.A OE1 no hydrogen 3.249 N/A HIS 166.A NE2 ASN 164.A OD1 no hydrogen 2.896 N/A CYS 167.A N ASN 203.A O no hydrogen 2.870 N/A ILE 168.A N THR 158.A O no hydrogen 2.844 N/A THR 169.A N GLU 205.A O no hydrogen 3.127 N/A THR 169.A OG1 ASN 156.A O no hydrogen 2.855 N/A GLY 171.A N THR 169.A OG1 no hydrogen 3.060 N/A LYS 173.A N SER 154.A O no hydrogen 2.920 N/A LYS 173.A NZ GLU 147.A OE1 no hydrogen 3.272 N/A GLY 175.A N LYS 172.A O no hydrogen 2.939 N/A LYS 179.A NZ LEU 178.A O no hydrogen 3.264 N/A LYS 179.A NZ GLU 208.A OE2 no hydrogen 3.526 N/A VAL 180.A N GLU 208.A OE1 no hydrogen 2.923 N/A ASP 182.A N LYS 179.A O no hydrogen 2.625 N/A LEU 183.A N VAL 180.A O no hydrogen 3.130 N/A GLU 187.A N ASN 184.A O no hydrogen 3.028 N/A ILE 188.A N ASN 184.A O no hydrogen 2.961 N/A GLY 189.A N LEU 185.A O no hydrogen 2.656 N/A LYS 191.A N ILE 188.A O no hydrogen 3.088 N/A LYS 191.A NZ ASP 151.A OD1 no hydrogen 2.966 N/A LYS 191.A NZ GLU 187.A OE1 no hydrogen 3.420 N/A LYS 191.A NZ GLU 187.A OE2 no hydrogen 3.062 N/A PHE 192.A N GLY 189.A O no hydrogen 2.933 N/A GLU 193.A N GLY 189.A O no hydrogen 3.002 N/A HIS 194.A N PRO 190.A O no hydrogen 3.187 N/A HIS 195.A N PHE 192.A O no hydrogen 3.056 N/A PHE 198.A N HIS 195.A O no hydrogen 2.974 N/A ARG 201.A N PHE 198.A O no hydrogen 2.787 N/A ARG 201.A NH2 ASP 68.A OD2 no hydrogen 3.297 N/A ARG 201.A NH2 GLU 193.A OE1 no hydrogen 3.130 N/A THR 202.A N GLU 193.A O no hydrogen 3.242 N/A THR 202.A OG1 ASN 203.A O no hydrogen 2.887 N/A ASN 203.A N PRO 165.A O no hydrogen 3.136 N/A ASN 203.A ND2 PRO 165.A O no hydrogen 2.990 N/A THR 204.A N TRP 220.A O no hydrogen 2.908 N/A GLU 205.A N CYS 167.A O no hydrogen 3.077 N/A PHE 206.A N ARG 218.A O no hydrogen 2.922 N/A VAL 207.A N THR 169.A O no hydrogen 3.060 N/A GLU 208.A N LYS 216.A O no hydrogen 2.941 N/A LEU 210.A N HIS 214.A O no hydrogen 2.838 N/A SER 211.A N HIS 214.A O no hydrogen 3.043 N/A ARG 212.A NH2 GLY 245.A O no hydrogen 2.996 N/A SER 213.A N SER 211.A OG no hydrogen 3.031 N/A HIS 214.A N SER 211.A O no hydrogen 3.175 N/A LEU 215.A N THR 252.A O no hydrogen 3.001 N/A LYS 216.A N GLU 208.A O no hydrogen 3.003 N/A LYS 216.A NZ ASP 181.A OD2 no hydrogen 2.624 N/A MET 217.A N ASP 254.A O no hydrogen 2.926 N/A ARG 218.A N PHE 206.A O no hydrogen 3.140 N/A ARG 218.A NE VAL 180.A O no hydrogen 3.154 N/A ARG 218.A NH2 VAL 180.A O no hydrogen 2.901 N/A ARG 218.A NH2 LEU 183.A O no hydrogen 2.576 N/A TRP 220.A N THR 204.A O no hydrogen 2.883 N/A TRP 220.A NE1 GLU 193.A OE2 no hydrogen 2.773 N/A GLU 221.A N GLY 225.A O no hydrogen 2.755 N/A ARG 222.A N ASN 203.A OD1 no hydrogen 2.759 N/A ARG 222.A NH1 ALA 200.A O no hydrogen 2.992 N/A ARG 222.A NH2 GLU 73.A OE2 no hydrogen 2.633 N/A GLY 223.A N GLU 193.A OE1 no hydrogen 2.880 N/A ALA 224.A N GLU 221.A O no hydrogen 3.416 N/A GLY 225.A N GLU 221.A O no hydrogen 3.205 N/A THR 227.A OG1 GLU 221.A OE1 no hydrogen 2.528 N/A THR 227.A OG1 ALA 229.A O no hydrogen 3.160 N/A CYS 230.A SG THR 232.A OG1 no hydrogen 3.611 N/A THR 232.A OG1 HIS 166.A NE2 no hydrogen 3.277 N/A ALA 234.A N CYS 230.A O no hydrogen 2.960 N/A CYS 235.A N GLY 231.A O no hydrogen 3.126 N/A CYS 235.A SG GLY 231.A O no hydrogen 3.427 N/A ALA 236.A N THR 232.A O no hydrogen 2.930 N/A LEU 237.A N GLY 233.A O no hydrogen 2.939 N/A VAL 238.A N ALA 234.A O no hydrogen 3.349 N/A VAL 238.A N CYS 235.A O no hydrogen 3.227 N/A VAL 239.A N CYS 235.A O no hydrogen 3.148 N/A ALA 240.A N ALA 236.A O no hydrogen 2.964 N/A ALA 241.A N LEU 237.A O no hydrogen 2.836 N/A VAL 242.A N VAL 238.A O no hydrogen 2.923 N/A LEU 243.A N VAL 239.A O no hydrogen 2.915 N/A GLU 244.A N ALA 240.A O no hydrogen 2.893 N/A GLY 245.A N VAL 242.A O no hydrogen 2.791 N/A ARG 246.A N ALA 241.A O no hydrogen 2.783 N/A ARG 246.A NE GLU 244.A OE1 no hydrogen 2.726 N/A ARG 246.A NH2 GLU 244.A OE1 no hydrogen 3.029 N/A ALA 247.A N ALA 241.A O no hydrogen 3.356 N/A ASP 248.A N ARG 212.A O no hydrogen 2.822 N/A ARG 249.A NH1 TRP 264.A O no hydrogen 2.820 N/A CYS 251.A N ILE 262.A O no hydrogen 2.834 N/A CYS 251.A SG ARG 212.A O no hydrogen 3.717 N/A CYS 251.A SG ASP 248.A O no hydrogen 3.359 N/A THR 252.A N SER 213.A O no hydrogen 2.950 N/A THR 252.A OG1 GLU 261.A OE1 no hydrogen 3.233 N/A THR 252.A OG1 GLU 261.A OE2 no hydrogen 2.672 N/A VAL 253.A N LEU 260.A O no hydrogen 2.837 N/A ASP 254.A N LEU 215.A O no hydrogen 2.675 N/A LEU 255.A N GLY 258.A O no hydrogen 2.924 N/A GLY 257.A N LEU 228.A O no hydrogen 2.794 N/A GLY 258.A N LEU 255.A O no hydrogen 2.982 N/A LEU 260.A N VAL 253.A O no hydrogen 2.915 N/A GLU 261.A N THR 274.A O no hydrogen 3.030 N/A ILE 262.A N CYS 251.A O no hydrogen 2.859 N/A GLU 263.A N TYR 272.A O no hydrogen 2.988 N/A TRP 264.A N ARG 249.A O no hydrogen 2.910 N/A TRP 264.A NE1 ASN 269.A O no hydrogen 3.144 N/A LYS 265.A N HIS 270.A O no hydrogen 2.942 N/A LYS 265.A NZ GLU 263.A OE1 no hydrogen 2.913 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.688 N/A ASN 269.A N LYS 265.A O no hydrogen 2.697 N/A HIS 270.A N ASP 268.A OD1 no hydrogen 3.020 N/A HIS 270.A ND1 ASP 268.A O no hydrogen 3.232 N/A ILE 271.A N GLY 122.A O no hydrogen 2.826 N/A TYR 272.A N GLU 263.A O no hydrogen 2.808 N/A TYR 272.A OH ASP 268.A OD2 no hydrogen 3.059 N/A MET 273.A N VAL 119.A O no hydrogen 2.952 N/A THR 274.A N GLU 261.A O no hydrogen 2.959 N/A GLY 275.A N VAL 117.A O no hydrogen 3.160 N/A GLU 278.A N HIS 9.A O no hydrogen 3.153 N/A VAL 280.A N LYS 7.A O no hydrogen 2.724 N/A GLY 283.A N PHE 5.A O no hydrogen 3.017 N/A SER 284.A OG HIS 4.A ND1 no hydrogen 2.792 N/A ALA 285.A N LEU 3.A O no hydrogen 2.911 N/A LEU 287.A N GLY 1.A O no hydrogen 2.968 N/A