Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ni9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N ASP 101.A OD1 no hydrogen 2.790 N/A ARG 4.A N ASP 77.A OD2 no hydrogen 3.352 N/A ALA 8.A N ARG 5.A O no hydrogen 3.326 N/A PHE 11.A N LEU 7.A O no hydrogen 3.168 N/A SER 12.A N ALA 8.A O no hydrogen 2.981 N/A SER 12.A OG ILE 9.A O no hydrogen 2.613 N/A ARG 13.A N ILE 9.A O no hydrogen 3.101 N/A ARG 13.A NH1 GLU 10.A OE2 no hydrogen 3.317 N/A ARG 13.A NH2 GLU 10.A OE1 no hydrogen 3.482 N/A ARG 13.A NH2 GLU 10.A OE2 no hydrogen 3.479 N/A VAL 14.A N PHE 11.A O no hydrogen 2.986 N/A THR 15.A N PHE 11.A O no hydrogen 3.327 N/A THR 15.A OG1 SER 12.A O no hydrogen 3.394 N/A THR 15.A OG1 SER 247.A OG no hydrogen 2.754 N/A THR 15.A OG1 THR 249.A OG1 no hydrogen 2.840 N/A GLU 16.A N SER 12.A O no hydrogen 3.016 N/A SER 17.A N ARG 13.A O no hydrogen 2.983 N/A SER 17.A OG ARG 13.A O no hydrogen 2.821 N/A ALA 18.A N VAL 14.A O no hydrogen 3.094 N/A ALA 19.A N THR 15.A O no hydrogen 2.942 N/A LEU 20.A N GLU 16.A O no hydrogen 2.919 N/A ALA 21.A N SER 17.A O no hydrogen 2.897 N/A GLY 22.A N ALA 18.A O no hydrogen 2.956 N/A TYR 23.A N ALA 19.A O no hydrogen 2.988 N/A LEU 26.A N GLY 22.A O no hydrogen 2.986 N/A GLY 27.A N TYR 23.A O no hydrogen 2.805 N/A ARG 28.A N LYS 24.A O no hydrogen 2.816 N/A GLY 29.A N LEU 26.A O no hydrogen 3.205 N/A ASP 30.A N TRP 25.A O no hydrogen 2.933 N/A LYS 31.A N GLY 29.A O no hydrogen 2.993 N/A ALA 34.A N ASP 30.A O no hydrogen 2.992 N/A ASP 35.A N LYS 31.A O no hydrogen 3.143 N/A GLY 36.A N ASN 32.A O no hydrogen 3.148 N/A ALA 37.A N THR 33.A O no hydrogen 2.929 N/A ALA 38.A N ALA 34.A O no hydrogen 2.787 N/A VAL 39.A N ASP 35.A O no hydrogen 2.839 N/A ASN 40.A N GLY 36.A O no hydrogen 2.971 N/A ALA 41.A N ALA 37.A O no hydrogen 3.094 N/A MET 42.A N ALA 38.A O no hydrogen 2.968 N/A ARG 43.A N VAL 39.A O no hydrogen 3.005 N/A ILE 44.A N ASN 40.A O no hydrogen 3.002 N/A MET 45.A N ALA 41.A O no hydrogen 3.094 N/A LEU 46.A N MET 42.A O no hydrogen 2.922 N/A ASN 47.A N ARG 43.A O no hydrogen 3.072 N/A GLN 48.A N MET 45.A O no hydrogen 3.218 N/A GLN 48.A NE2 ILE 44.A O no hydrogen 2.882 N/A VAL 49.A N LEU 46.A O no hydrogen 3.089 N/A ASN 50.A ND2 THR 73.A OG1 no hydrogen 2.443 N/A ILE 51.A N VAL 49.A O no hydrogen 2.925 N/A ASP 52.A N ASP 77.A O no hydrogen 2.819 N/A GLY 53.A N VAL 71.A O no hydrogen 2.920 N/A THR 54.A N VAL 79.A O no hydrogen 2.972 N/A ILE 55.A N GLU 69.A O no hydrogen 2.937 N/A VAL 56.A N ILE 81.A O no hydrogen 2.873 N/A ILE 57.A N ILE 81.A O no hydrogen 3.238 N/A GLU 59.A N LEU 65.A O no hydrogen 3.110 N/A TYR 66.A N GLU 69.A OE2 no hydrogen 3.346 N/A ILE 67.A N GLY 60.A O no hydrogen 3.326 N/A GLY 68.A N ILE 55.A O no hydrogen 2.663 N/A GLU 69.A N TYR 66.A O no hydrogen 2.914 N/A LYS 70.A NZ ASP 52.A OD1 no hydrogen 2.978 N/A LYS 70.A NZ THR 54.A OG1 no hydrogen 2.892 N/A VAL 71.A N GLY 53.A O no hydrogen 2.909 N/A GLY 72.A N ASN 47.A OD1 no hydrogen 2.940 N/A THR 73.A N VAL 49.A O no hydrogen 3.018 N/A THR 73.A OG1 VAL 49.A O no hydrogen 3.483 N/A GLY 74.A N ILE 51.A O no hydrogen 3.046 N/A ARG 75.A N THR 73.A OG1 no hydrogen 3.235 N/A VAL 79.A N ASP 52.A O no hydrogen 3.046 N/A ASP 80.A N GLY 100.A O no hydrogen 2.953 N/A ILE 81.A N THR 54.A O no hydrogen 2.886 N/A ALA 82.A N ALA 98.A O no hydrogen 2.806 N/A VAL 83.A N ILE 57.A O no hydrogen 2.955 N/A ASP 84.A N VAL 96.A O no hydrogen 3.035 N/A GLU 87.A N LEU 94.A O no hydrogen 2.819 N/A ASN 92.A N LYS 253.A O no hydrogen 2.954 N/A ALA 93.A N THR 252.A OG1 no hydrogen 3.178 N/A LEU 94.A N GLU 87.A O no hydrogen 2.849 N/A ALA 95.A N THR 249.A O no hydrogen 2.843 N/A VAL 96.A N ASP 84.A O no hydrogen 3.038 N/A LEU 97.A N SER 247.A O no hydrogen 2.832 N/A ALA 98.A N ALA 82.A O no hydrogen 2.923 N/A VAL 99.A N ILE 245.A O no hydrogen 2.916 N/A GLY 100.A N ASP 80.A O no hydrogen 3.009 N/A ASP 101.A N ASN 243.A O no hydrogen 3.205 N/A LYS 102.A NZ.A ASP 80.A OD1 no hydrogen 3.319 N/A LYS 102.A NZ.B VAL 79.A O no hydrogen 3.058 N/A LYS 102.A NZ.B ASP 80.A OD1 no hydrogen 2.516 N/A GLY 103.A N ASP 80.A OD2 no hydrogen 2.903 N/A CYS 104.A N ASP 101.A O no hydrogen 2.912 N/A CYS 104.A SG ASP 101.A O no hydrogen 3.095 N/A LEU 106.A N MET 238.A O no hydrogen 3.054 N/A MET 113.A N GLY 200.A O no hydrogen 2.681 N/A GLU 114.A N ARG 222.A O no hydrogen 2.747 N/A LYS 115.A N GLY 198.A O no hydrogen 2.625 N/A LYS 115.A NZ GLY 201.A O no hydrogen 2.879 N/A LEU 116.A N ASN 220.A O no hydrogen 3.134 N/A ILE 117.A N LEU 196.A O no hydrogen 2.891 N/A VAL 118.A N ASP 218.A O no hydrogen 2.890 N/A ALA 122.A N GLY 119.A O no hydrogen 2.988 N/A LYS 123.A N PRO 120.A O no hydrogen 3.242 N/A LYS 123.A NZ ASP 216.A OD2 no hydrogen 2.865 N/A GLY 124.A N ASP 218.A OD2 no hydrogen 2.950 N/A THR 125.A N ALA 122.A O no hydrogen 3.319 N/A THR 125.A OG1 ALA 122.A O no hydrogen 2.592 N/A ASP 127.A N ASN 135.A OD1 no hydrogen 2.729 N/A LEU 128.A N ASN 220.A OD1 no hydrogen 2.998 N/A ASN 129.A N ASP 127.A OD1 no hydrogen 2.873 N/A LEU 130.A N ASP 127.A O no hydrogen 2.992 N/A ASP 134.A N PRO 131.A O no hydrogen 2.992 N/A ASN 135.A N PRO 131.A O no hydrogen 3.038 N/A ASN 135.A ND2 ASP 127.A O no hydrogen 2.859 N/A ASN 135.A ND2 PRO 131.A O no hydrogen 3.210 N/A LEU 136.A N LEU 132.A O no hydrogen 2.872 N/A ARG 137.A N ALA 133.A O no hydrogen 3.180 N/A ARG 137.A NH1 ALA 133.A O no hydrogen 3.125 N/A ASN 138.A N ASP 134.A O no hydrogen 2.973 N/A ASN 138.A ND2 THR 125.A O no hydrogen 3.420 N/A VAL 139.A N ASN 135.A O no hydrogen 2.977 N/A ALA 140.A N LEU 136.A O no hydrogen 3.036 N/A ALA 141.A N ARG 137.A O no hydrogen 3.009 N/A ALA 142.A N ASN 138.A O no hydrogen 3.058 N/A LEU 143.A N VAL 139.A O no hydrogen 3.021 N/A GLY 144.A N ALA 141.A O no hydrogen 2.974 N/A LYS 145.A N ALA 140.A O no hydrogen 2.993 N/A LYS 145.A NZ ASP 194.A OD1 no hydrogen 2.962 N/A LYS 145.A NZ ASP 194.A OD2 no hydrogen 2.981 N/A GLU 149.A N PRO 146.A O no hydrogen 2.996 N/A LEU 150.A N LEU 147.A O no hydrogen 3.012 N/A THR 151.A N ASP 194.A OD2 no hydrogen 3.018 N/A VAL 152.A N ARG 171.A O no hydrogen 2.881 N/A THR 153.A N VAL 195.A O no hydrogen 2.853 N/A ILE 154.A N PHE 173.A O no hydrogen 2.929 N/A ALA 156.A N ILE 175.A O no hydrogen 3.214 N/A LYS 157.A N HIS 158.A ND1 no hydrogen 3.186 N/A ILE 162.A N HIS 158.A O no hydrogen 3.187 N/A ALA 163.A N ASP 159.A O no hydrogen 3.261 N/A GLU 164.A N ALA 160.A O no hydrogen 3.210 N/A MET 165.A N VAL 161.A O no hydrogen 3.077 N/A GLN 166.A N ILE 162.A O no hydrogen 2.886 N/A GLN 167.A N ALA 163.A O no hydrogen 2.832 N/A LEU 168.A N GLU 164.A O no hydrogen 2.966 N/A GLY 169.A N GLN 166.A O no hydrogen 2.863 N/A VAL 170.A N MET 165.A O no hydrogen 3.148 N/A ARG 171.A NE SER 148.A O no hydrogen 2.815 N/A ARG 171.A NH2 SER 148.A O no hydrogen 3.153 N/A PHE 173.A N VAL 152.A O no hydrogen 2.882 N/A ILE 175.A N ILE 154.A O no hydrogen 2.873 N/A VAL 180.A N GLU 87.A OE1 no hydrogen 3.233 N/A ALA 181.A N GLU 87.A OE2 no hydrogen 3.035 N/A ALA 182.A N GLY 178.A O no hydrogen 2.862 N/A SER 183.A N ASP 179.A O no hydrogen 2.882 N/A SER 183.A OG ASP 179.A O no hydrogen 3.370 N/A ILE 184.A N VAL 180.A O no hydrogen 2.784 N/A LEU 185.A N ALA 181.A O no hydrogen 2.773 N/A THR 186.A N ALA 182.A O no hydrogen 2.893 N/A THR 186.A OG1 ALA 182.A O no hydrogen 2.705 N/A CYS 187.A N SER 183.A O no hydrogen 3.234 N/A CYS 187.A N ILE 184.A O no hydrogen 3.137 N/A CYS 187.A SG VAL 118.A O no hydrogen 3.733 N/A CYS 187.A SG SER 183.A O no hydrogen 3.534 N/A MET 188.A N ILE 184.A O no hydrogen 3.076 N/A SER 191.A N MET 188.A O no hydrogen 3.167 N/A SER 191.A OG LEU 185.A O no hydrogen 2.607 N/A SER 191.A OG THR 186.A O no hydrogen 3.356 N/A VAL 193.A N SER 191.A OG no hydrogen 3.021 N/A LEU 196.A N ILE 117.A O no hydrogen 2.813 N/A TYR 197.A N THR 153.A O no hydrogen 3.080 N/A TYR 197.A OH GLU 114.A OE2 no hydrogen 2.553 N/A GLY 198.A N LYS 115.A O no hydrogen 3.091 N/A GLY 200.A N MET 113.A O no hydrogen 3.024 N/A ALA 202.A N MET 111.A O no hydrogen 2.798 N/A GLU 204.A N GLU 204.A OE1.A no hydrogen 2.950 N/A GLY 205.A N GLY 201.A O no hydrogen 3.081 N/A VAL 206.A N ALA 202.A O no hydrogen 2.976 N/A VAL 207.A N PRO 203.A O no hydrogen 3.093 N/A SER 208.A N GLU 204.A O no hydrogen 2.996 N/A SER 208.A OG SER 183.A OG no hydrogen 3.323 N/A SER 208.A OG GLU 204.A O no hydrogen 3.371 N/A ALA 209.A N GLY 205.A O no hydrogen 2.833 N/A ALA 210.A N VAL 206.A O no hydrogen 3.004 N/A VAL 211.A N VAL 207.A O no hydrogen 3.219 N/A ILE 212.A N SER 208.A O no hydrogen 2.867 N/A ARG 213.A N ALA 209.A O no hydrogen 2.869 N/A ARG 213.A NE ASP 242.A OD1 no hydrogen 3.329 N/A ARG 213.A NH1 ALA 239.A O no hydrogen 2.759 N/A ALA 214.A N ALA 210.A O no hydrogen 3.158 N/A LEU 215.A N VAL 211.A O no hydrogen 2.996 N/A LEU 215.A N ILE 212.A O no hydrogen 3.197 N/A ASP 216.A N ARG 213.A O no hydrogen 3.085 N/A GLY 217.A N ILE 212.A O no hydrogen 2.895 N/A ASP 218.A N VAL 118.A O no hydrogen 2.901 N/A MET 219.A N ASP 218.A OD1 no hydrogen 2.783 N/A ASN 220.A N LEU 116.A O no hydrogen 3.077 N/A ASN 220.A ND2 MET 219.A O no hydrogen 2.748 N/A GLY 221.A N LEU 233.A O no hydrogen 2.858 N/A ARG 222.A N GLU 114.A O no hydrogen 2.864 N/A ARG 222.A NE GLU 114.A OE1 no hydrogen 2.562 N/A ARG 222.A NH1 GLU 114.A OE1 no hydrogen 2.902 N/A ARG 222.A NH1 LEU 128.A O no hydrogen 3.226 N/A ARG 222.A NH2 LEU 128.A O no hydrogen 3.397 N/A LEU 224.A N TYR 112.A O no hydrogen 3.153 N/A GLY 230.A N LEU 223.A O no hydrogen 2.991 N/A LYS 231.A N GLU 228.A O no hydrogen 3.313 N/A LEU 233.A N GLY 221.A O no hydrogen 2.665 N/A ARG 234.A N ASP 237.A OD2 no hydrogen 2.883 N/A ARG 234.A NH1 ASP 127.A OD1 no hydrogen 2.874 N/A ARG 234.A NH1 ASN 220.A OD1 no hydrogen 3.191 N/A ASP 237.A N ARG 234.A O no hydrogen 2.958 N/A MET 238.A N LEU 235.A O no hydrogen 3.106 N/A ALA 239.A N LEU 235.A O no hydrogen 2.807 N/A ARG 240.A N CYS 104.A O no hydrogen 2.735 N/A ASN 243.A N SER 241.A OG no hydrogen 3.013 N/A ILE 245.A N VAL 99.A O no hydrogen 2.730 N/A PHE 246.A N ILE 274.A O no hydrogen 2.906 N/A SER 247.A N LEU 97.A O no hydrogen 2.810 N/A SER 247.A OG THR 15.A OG1 no hydrogen 2.754 N/A ALA 248.A N LEU 272.A O no hydrogen 3.061 N/A THR 249.A N ALA 95.A O no hydrogen 2.830 N/A THR 249.A OG1 THR 15.A OG1 no hydrogen 2.840 N/A THR 249.A OG1 THR 271.A OG1 no hydrogen 2.497 N/A GLY 250.A N GLU 270.A O no hydrogen 2.992 N/A ILE 251.A N ALA 93.A O no hydrogen 2.940 N/A THR 252.A N ALA 93.A O no hydrogen 3.402 N/A THR 252.A OG1 GLN 90.A O no hydrogen 2.757 N/A LYS 253.A NZ GLU 258.A OE1 no hydrogen 3.448 N/A LYS 253.A NZ GLU 258.A OE2 no hydrogen 3.192 N/A GLY 254.A N LEU 257.A O no hydrogen 3.026 N/A GLU 258.A N GLU 270.A OE1.A no hydrogen 3.020 N/A ILE 260.A N ILE 251.A O no hydrogen 3.031 N/A SER 261.A N THR 268.A O no hydrogen 3.086 N/A ARG 262.A NH1 GLY 264.A O no hydrogen 2.794 N/A LYS 263.A N ILE 266.A O no hydrogen 3.013 N/A ILE 266.A N LYS 263.A O no hydrogen 3.009 N/A ALA 267.A N HIS 288.A O no hydrogen 2.834 N/A THR 268.A N SER 261.A O no hydrogen 2.805 N/A THR 269.A N SER 286.A O no hydrogen 2.984 N/A THR 269.A OG1 SER 286.A O no hydrogen 3.566 N/A THR 269.A OG1 SER 286.A OG.A no hydrogen 3.033 N/A THR 271.A N ILE 284.A O no hydrogen 2.849 N/A THR 271.A OG1 THR 249.A OG1 no hydrogen 2.497 N/A LEU 272.A N ALA 248.A O no hydrogen 2.769 N/A LEU 273.A N ARG 282.A O no hydrogen 2.950 N/A ILE 274.A N PHE 246.A O no hydrogen 2.867 N/A ARG 275.A N THR 280.A O no hydrogen 3.042 N/A GLY 276.A N VAL 244.A O no hydrogen 2.919 N/A SER 278.A OG THR 280.A OG1 no hydrogen 3.380 N/A THR 280.A N ARG 275.A O no hydrogen 3.028 N/A THR 280.A OG1 SER 278.A OG no hydrogen 3.380 N/A ARG 282.A N LEU 273.A O no hydrogen 2.984 N/A ARG 283.A NH2.B GLU 270.A OE1.A no hydrogen 3.509 N/A ILE 284.A N THR 271.A O no hydrogen 2.810 N/A GLN 285.A NE2 GLU 270.A OE1.B no hydrogen 2.683 N/A SER 286.A N THR 269.A O no hydrogen 3.137 N/A SER 286.A OG.A GLU 16.A OE2 no hydrogen 3.142 N/A SER 286.A OG.A THR 269.A OG1 no hydrogen 3.033 N/A SER 286.A OG.B GLU 16.A OE1 no hydrogen 2.864 N/A SER 286.A OG.B GLU 16.A OE2 no hydrogen 3.538 N/A HIS 288.A N ALA 267.A O no hydrogen 2.802 N/A HIS 288.A NE2 SER 286.A OG.A no hydrogen 2.352 N/A LEU 290.A N ASN 265.A O no hydrogen 2.829 N/A