Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ekn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N GLU 5.A OE1 no hydrogen 3.078 N/A TRP 6.A N ASP 4.A OD1 no hydrogen 3.222 N/A GLU 7.A N ASP 4.A O no hydrogen 3.068 N/A VAL 8.A N VAL 82.A O no hydrogen 2.885 N/A SER 9.A OG.A GLU 11.A OE2 no hydrogen 3.102 N/A ARG 10.A NH1 PRO 88.A O no hydrogen 2.688 N/A ARG 10.A NH2 LYS 85.A O no hydrogen 3.275 N/A ARG 10.A NH2 PRO 88.A O no hydrogen 2.795 N/A LYS 12.A N SER 9.A O no hydrogen 3.229 N/A ILE 13.A N ARG 10.A O no hydrogen 2.860 N/A THR 14.A N ASN 31.A O no hydrogen 2.919 N/A THR 14.A OG1.B ASN 31.A O no hydrogen 3.143 N/A LEU 16.A N GLU 29.A O no hydrogen 2.696 N/A ARG 17.A N GLU 29.A O no hydrogen 3.383 N/A ARG 17.A NE.A GLU 29.A OE1 no hydrogen 3.198 N/A LEU 19.A N VAL 27.A O no hydrogen 2.785 N/A GLY 20.A N VAL 27.A O no hydrogen 3.470 N/A GLY 22.A N GLY 25.A O no hydrogen 2.747 N/A VAL 27.A N GLY 20.A O no hydrogen 2.751 N/A TYR 28.A N VAL 46.A O no hydrogen 2.794 N/A GLU 29.A N ARG 17.A O no hydrogen 2.855 N/A GLY 30.A N VAL 44.A O no hydrogen 2.841 N/A ASN 31.A N THR 14.A O no hydrogen 2.775 N/A ALA 32.A N THR 42.A O no hydrogen 2.783 N/A ARG 33.A N LYS 12.A O no hydrogen 3.027 N/A ASP 34.A N ALA 40.A O no hydrogen 2.759 N/A GLU 39.A N ILE 36.A O no hydrogen 3.165 N/A THR 42.A N ALA 32.A O no hydrogen 2.804 N/A THR 42.A OG1 GLU 39.A OE1 no hydrogen 2.695 N/A ARG 43.A NH2 GLU 29.A OE2 no hydrogen 3.141 N/A VAL 44.A N GLY 30.A O no hydrogen 2.971 N/A ALA 45.A N MET 93.A O no hydrogen 3.052 N/A VAL 46.A N TYR 28.A O no hydrogen 2.762 N/A LYS 47.A N VAL 91.A O no hydrogen 2.779 N/A THR 48.A N MET 26.A O no hydrogen 3.101 N/A THR 48.A OG1 MET 26.A O no hydrogen 2.576 N/A ASN 50.A N PHE 24.A O no hydrogen 3.253 N/A SER 52.A OG ASN 50.A OD1 no hydrogen 3.245 N/A ALA 53.A N ASN 50.A O no hydrogen 3.169 N/A SER 54.A N GLU 57.A OE1 no hydrogen 3.242 N/A GLU 57.A N SER 54.A OG no hydrogen 3.112 N/A ARG 58.A N SER 54.A O no hydrogen 2.914 N/A ARG 58.A NE ALA 53.A O no hydrogen 3.084 N/A ARG 58.A NH2 ALA 53.A O no hydrogen 3.343 N/A ILE 59.A N LEU 55.A O no hydrogen 2.925 N/A GLU 60.A N ARG 56.A O no hydrogen 2.931 N/A PHE 61.A N GLU 57.A O no hydrogen 2.858 N/A LEU 62.A N ARG 58.A O no hydrogen 3.441 N/A ASN 63.A N ILE 59.A O no hydrogen 2.908 N/A GLU 64.A N GLU 60.A O no hydrogen 3.084 N/A ALA 65.A N PHE 61.A O no hydrogen 3.493 N/A SER 66.A N LEU 62.A O no hydrogen 2.817 N/A SER 66.A OG LEU 62.A O no hydrogen 3.180 N/A VAL 67.A N ASN 63.A O no hydrogen 2.936 N/A MET 68.A N GLU 64.A O no hydrogen 3.169 N/A LYS 69.A N ALA 65.A O no hydrogen 3.285 N/A LYS 69.A N SER 66.A O no hydrogen 3.226 N/A LYS 69.A NZ TYR 1.A OH no hydrogen 3.014 N/A LYS 69.A NZ ASP 4.A OD1 no hydrogen 3.389 N/A GLY 70.A N VAL 67.A O no hydrogen 3.314 N/A PHE 71.A N MET 68.A O no hydrogen 3.140 N/A THR 72.A N TYR 139.A OH no hydrogen 3.017 N/A HIS 75.A ND1 ASP 135.A OD2 no hydrogen 2.587 N/A VAL 76.A N CYS 73.A O no hydrogen 3.226 N/A VAL 77.A N ILE 165.A O no hydrogen 2.821 N/A ARG 78.A N GLU 94.A OE2 no hydrogen 2.794 N/A LEU 80.A N VAL 92.A O no hydrogen 2.674 N/A GLY 81.A N VAL 92.A O no hydrogen 3.161 N/A VAL 82.A N TRP 6.A O no hydrogen 2.886 N/A VAL 83.A N LEU 90.A O no hydrogen 2.708 N/A SER 84.A N GLU 7.A OE2 no hydrogen 2.810 N/A SER 84.A OG GLU 7.A OE1 no hydrogen 2.689 N/A SER 84.A OG GLU 7.A OE2 no hydrogen 3.371 N/A THR 89.A OG1 GLN 87.A OE1 no hydrogen 3.395 N/A LEU 90.A N VAL 83.A O no hydrogen 3.034 N/A VAL 91.A N LYS 47.A O no hydrogen 3.063 N/A VAL 92.A N GLY 81.A O no hydrogen 2.790 N/A MET 93.A N ALA 45.A O no hydrogen 2.755 N/A GLU 94.A N ARG 78.A O no hydrogen 3.016 N/A LEU 95.A N ARG 43.A O no hydrogen 3.331 N/A HIS 98.A N VAL 157.A O no hydrogen 2.916 N/A GLY 99.A N MET 96.A O no hydrogen 2.999 N/A LEU 101.A N CYS 155.A O no hydrogen 2.667 N/A LYS 102.A N ALA 152.A O no hydrogen 3.230 N/A SER 103.A N ASP 100.A OD2 no hydrogen 2.885 N/A SER 103.A OG.A ASP 100.A OD1 no hydrogen 2.678 N/A SER 103.A OG.A ASP 100.A OD2 no hydrogen 3.302 N/A SER 103.A OG.B ASP 100.A O no hydrogen 3.160 N/A SER 103.A OG.B ASP 100.A OD1 no hydrogen 2.651 N/A TYR 104.A N ASP 100.A O no hydrogen 3.104 N/A LEU 105.A N LEU 101.A O no hydrogen 3.056 N/A ARG 106.A N LYS 102.A O no hydrogen 3.102 N/A ARG 106.A NE ALA 220.A O no hydrogen 2.921 N/A ARG 106.A NH2 ALA 220.A O no hydrogen 3.016 N/A SER 107.A N SER 103.A O no hydrogen 3.079 N/A SER 107.A OG TYR 104.A O no hydrogen 2.612 N/A LEU 108.A N LEU 105.A O no hydrogen 2.979 N/A ARG 109.A NE LEU 219.A O no hydrogen 3.189 N/A ARG 109.A NH1 LEU 219.A O no hydrogen 3.272 N/A ALA 112.A N ARG 109.A O no hydrogen 3.427 N/A ASN 115.A ND2 ARG 109.A O no hydrogen 2.809 N/A GLY 117.A N ASN 115.A OD1 no hydrogen 2.823 N/A THR 122.A N GLU 125.A OE1 no hydrogen 2.975 N/A GLU 125.A N THR 122.A OG1 no hydrogen 2.912 N/A MET 126.A N THR 122.A O no hydrogen 2.871 N/A ILE 127.A N LEU 123.A O no hydrogen 2.894 N/A GLN 128.A N GLN 124.A O no hydrogen 3.063 N/A GLN 128.A NE2 GLU 132.A OE2 no hydrogen 2.879 N/A MET 129.A N GLU 125.A O no hydrogen 3.047 N/A ALA 130.A N MET 126.A O no hydrogen 3.021 N/A ALA 131.A N ILE 127.A O no hydrogen 3.036 N/A GLU 132.A N GLN 128.A O no hydrogen 2.990 N/A ILE 133.A N MET 129.A O no hydrogen 2.872 N/A ALA 134.A N ALA 130.A O no hydrogen 2.819 N/A ASP 135.A N ALA 131.A O no hydrogen 2.777 N/A GLY 136.A N GLU 132.A O no hydrogen 3.033 N/A MET 137.A N ILE 133.A O no hydrogen 2.932 N/A ALA 138.A N ALA 134.A O no hydrogen 2.800 N/A TYR 139.A N ASP 135.A O no hydrogen 3.049 N/A LEU 140.A N GLY 136.A O no hydrogen 3.043 N/A ASN 141.A N MET 137.A O no hydrogen 2.854 N/A ALA 142.A N ALA 138.A O no hydrogen 2.966 N/A LYS 143.A N TYR 139.A O no hydrogen 2.954 N/A LYS 144.A N ASN 141.A O no hydrogen 3.144 N/A PHE 145.A N LEU 140.A O no hydrogen 2.930 N/A HIS 147.A N ASP 205.A OD2 no hydrogen 2.938 N/A ARG 148.A N ASP 205.A OD1 no hydrogen 3.021 N/A ASN 149.A N HIS 147.A ND1 no hydrogen 3.110 N/A ASN 149.A ND2 HIS 147.A O no hydrogen 3.652 N/A ASN 149.A ND2 GLY 169.A O no hydrogen 3.171 N/A ASN 149.A ND2 THR 171.A OG1 no hydrogen 2.792 N/A ALA 152.A N GLU 215.A OE1 no hydrogen 2.937 N/A ASN 154.A N ALA 151.A O no hydrogen 2.841 N/A ASN 154.A ND2 ASN 149.A O no hydrogen 2.629 N/A CYS 155.A N ALA 152.A O no hydrogen 3.216 N/A CYS 155.A SG ALA 151.A O no hydrogen 3.675 N/A MET 156.A N LYS 164.A O no hydrogen 2.832 N/A VAL 157.A N GLY 99.A O no hydrogen 2.803 N/A ALA 158.A N THR 162.A O no hydrogen 2.669 N/A PHE 161.A N ALA 158.A O no hydrogen 3.017 N/A THR 162.A N ASP 160.A OD1 no hydrogen 3.201 N/A THR 162.A OG1 ASP 160.A OD1 no hydrogen 2.616 N/A THR 162.A OG1 ASP 160.A OD2 no hydrogen 3.333 N/A VAL 163.A N GLU 132.A OE1 no hydrogen 2.976 N/A LYS 164.A N MET 156.A O no hydrogen 2.980 N/A LYS 164.A NZ GLU 94.A OE1 no hydrogen 2.738 N/A LYS 164.A NZ GLU 94.A OE2 no hydrogen 3.446 N/A ILE 165.A N HIS 75.A O no hydrogen 3.025 N/A GLY 166.A N ASN 154.A O no hydrogen 3.065 N/A GLY 169.A N ASP 167.A OD1 no hydrogen 2.964 N/A THR 171.A OG1 GLY 169.A O no hydrogen 2.919 N/A ARG 172.A NE GLU 60.A OE2 no hydrogen 2.937 N/A ARG 172.A NH2 GLU 60.A OE1 no hydrogen 2.888 N/A TYR 175.A N ARG 172.A O no hydrogen 3.269 N/A GLU 176.A N ASP 173.A O no hydrogen 3.153 N/A THR 177.A N ILE 174.A O no hydrogen 3.094 N/A THR 177.A OG1 ILE 174.A O no hydrogen 2.718 N/A ARG 181.A N THR 177.A O no hydrogen 2.919 N/A ARG 181.A NE GLU 176.A O no hydrogen 3.116 N/A LYS 182.A N ASP 178.A O no hydrogen 3.105 N/A ARG 188.A NE ASN 229.A OD1 no hydrogen 3.367 N/A ARG 188.A NH1 PRO 223.A O no hydrogen 2.910 N/A ARG 188.A NH1 TYR 224.A O no hydrogen 2.954 N/A ARG 188.A NH1 LEU 227.A O no hydrogen 3.357 N/A ARG 188.A NH2 LEU 227.A O no hydrogen 2.776 N/A ARG 188.A NH2 ASN 229.A OD1 no hydrogen 3.294 N/A TRP 189.A N PRO 186.A O no hydrogen 3.120 N/A TRP 189.A NE1 GLU 215.A OE1 no hydrogen 2.788 N/A MET 190.A N VAL 187.A O no hydrogen 3.425 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.905 N/A SER 194.A OG VAL 199.A O no hydrogen 2.575 N/A LEU 195.A N ALA 191.A O no hydrogen 2.880 N/A LYS 196.A N PRO 192.A O no hydrogen 2.811 N/A ASP 197.A N GLU 193.A O no hydrogen 2.932 N/A GLY 198.A N SER 194.A O no hydrogen 2.912 N/A THR 201.A N SER 204.A OG no hydrogen 2.833 N/A SER 203.A N THR 201.A OG1 no hydrogen 3.203 N/A SER 204.A N THR 201.A OG1 no hydrogen 3.416 N/A SER 204.A OG THR 201.A O no hydrogen 2.845 N/A ASP 205.A N THR 201.A O no hydrogen 3.174 N/A MET 206.A N THR 202.A O no hydrogen 3.146 N/A TRP 207.A N SER 203.A O no hydrogen 3.319 N/A SER 208.A N SER 204.A O no hydrogen 3.183 N/A SER 208.A OG TRP 189.A O no hydrogen 2.684 N/A SER 208.A OG SER 204.A O no hydrogen 3.295 N/A PHE 209.A N ASP 205.A O no hydrogen 2.727 N/A GLY 210.A N MET 206.A O no hydrogen 3.020 N/A VAL 211.A N TRP 207.A O no hydrogen 3.221 N/A VAL 212.A N SER 208.A O no hydrogen 2.958 N/A LEU 213.A N PHE 209.A O no hydrogen 3.020 N/A TRP 214.A N GLY 210.A O no hydrogen 3.063 N/A TRP 214.A NE1 ASP 243.A O no hydrogen 2.940 N/A GLU 215.A N VAL 211.A O no hydrogen 2.759 N/A ILE 216.A N VAL 212.A O no hydrogen 2.771 N/A THR 217.A N LEU 213.A O no hydrogen 3.110 N/A THR 217.A OG1 LEU 213.A O no hydrogen 2.990 N/A THR 217.A OG1 TRP 214.A O no hydrogen 3.260 N/A SER 218.A N TRP 214.A O no hydrogen 3.017 N/A SER 218.A OG TRP 214.A O no hydrogen 2.839 N/A LEU 219.A N ILE 216.A O no hydrogen 3.405 N/A ALA 220.A N GLU 215.A O no hydrogen 2.617 N/A GLU 221.A N SER 218.A OG no hydrogen 3.382 N/A LEU 227.A N TYR 224.A O no hydrogen 3.025 N/A SER 228.A N GLN 231.A OE1 no hydrogen 2.813 N/A SER 228.A OG GLN 231.A OE1 no hydrogen 3.495 N/A VAL 232.A N SER 228.A O no hydrogen 3.046 N/A LEU 233.A N ASN 229.A O no hydrogen 3.210 N/A LYS 234.A N GLU 230.A O no hydrogen 3.388 N/A PHE 235.A N GLN 231.A O no hydrogen 2.987 N/A VAL 236.A N VAL 232.A O no hydrogen 2.785 N/A MET 237.A N LEU 233.A O no hydrogen 2.964 N/A ASP 238.A N LYS 234.A O no hydrogen 2.871 N/A GLY 239.A N VAL 236.A O no hydrogen 3.457 N/A GLY 240.A N PHE 235.A O no hydrogen 2.944 N/A CYS 248.A N PRO 245.A O no hydrogen 3.185 N/A CYS 248.A SG GLN 244.A OE1 no hydrogen 3.612 N/A CYS 248.A SG PRO 249.A O no hydrogen 3.459 N/A CYS 248.A SG THR 253.A OG1 no hydrogen 3.436 N/A VAL 252.A N PRO 249.A O no hydrogen 3.116 N/A THR 253.A N PRO 249.A O no hydrogen 3.132 N/A THR 253.A OG1 GLN 244.A OE1 no hydrogen 2.687 N/A THR 253.A OG1 PRO 249.A O no hydrogen 3.366 N/A ASP 254.A N GLU 250.A O no hydrogen 2.958 N/A LEU 255.A N ARG 251.A O no hydrogen 3.273 N/A MET 256.A N VAL 252.A O no hydrogen 2.903 N/A ARG 257.A N THR 253.A O no hydrogen 2.888 N/A MET 258.A N ASP 254.A O no hydrogen 3.197 N/A CYS 259.A N LEU 255.A O no hydrogen 3.287 N/A CYS 259.A N MET 256.A O no hydrogen 3.168 N/A CYS 259.A SG MET 206.A O no hydrogen 3.377 N/A CYS 259.A SG LEU 255.A O no hydrogen 3.278 N/A TRP 260.A N ARG 257.A O no hydrogen 3.379 N/A GLN 261.A NE2 ARG 257.A O no hydrogen 2.855 N/A ASN 265.A N ASN 263.A OD1 no hydrogen 3.007 N/A MET 266.A N ASN 263.A O no hydrogen 2.902 N/A ARG 267.A N PRO 264.A O no hydrogen 3.125 N/A ARG 267.A NE GLN 261.A O no hydrogen 2.725 N/A ARG 267.A NH1 GLU 193.A OE2 no hydrogen 2.808 N/A ARG 267.A NH1 SER 203.A O no hydrogen 2.871 N/A ARG 267.A NH2 GLU 193.A OE1 no hydrogen 2.775 N/A ARG 267.A NH2 GLU 193.A OE2 no hydrogen 3.427 N/A ARG 267.A NH2 GLN 261.A O no hydrogen 3.118 N/A ARG 267.A NH2 PHE 262.A O no hydrogen 3.319 N/A THR 269.A N GLU 272.A OE1 no hydrogen 2.921 N/A GLU 272.A N THR 269.A OG1 no hydrogen 3.319 N/A ILE 273.A N THR 269.A O no hydrogen 3.177 N/A VAL 274.A N PHE 270.A O no hydrogen 3.175 N/A ASN 275.A N LEU 271.A O no hydrogen 2.937 N/A LEU 276.A N GLU 272.A O no hydrogen 2.839 N/A LEU 277.A N ILE 273.A O no hydrogen 2.992 N/A LEU 277.A N VAL 274.A O no hydrogen 3.004 N/A LYS 278.A N ASN 275.A O no hydrogen 3.505 N/A LYS 278.A NZ ASN 275.A OD1 no hydrogen 2.796 N/A HIS 282.A N GLN 128.A OE1 no hydrogen 2.945 N/A HIS 282.A ND1 SER 284.A OG no hydrogen 2.859 N/A SER 284.A N HIS 282.A ND1 no hydrogen 3.254 N/A SER 284.A OG HIS 282.A ND1 no hydrogen 2.859 N/A PHE 285.A N HIS 282.A O no hydrogen 2.913 N/A VAL 288.A N SER 284.A O no hydrogen 3.244 N/A VAL 288.A N PHE 285.A O no hydrogen 3.044 N/A SER 289.A N PHE 285.A O no hydrogen 2.728 N/A SER 289.A OG PHE 285.A O no hydrogen 3.474 N/A SER 289.A OG HIS 292.A ND1 no hydrogen 2.767 N/A PHE 290.A N ASP 135.A OD2 no hydrogen 2.950 N/A PHE 291.A N ASP 135.A OD1 no hydrogen 2.849 N/A HIS 292.A N SER 289.A OG no hydrogen 2.925 N/A HIS 292.A ND1 SER 289.A OG no hydrogen 2.767 N/A SER 293.A N PHE 290.A O no hydrogen 3.058 N/A SER 293.A OG PHE 290.A O no hydrogen 2.552 N/A ASN 296.A N SER 293.A O no hydrogen 3.167 N/A ASN 296.A ND2 PHE 291.A O no hydrogen 2.834 N/A