Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3njb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ASP 2.A OD1 no hydrogen 2.964 N/A ASN 5.A N ASP 2.A O no hydrogen 2.837 N/A LYS 7.A N GLU 38.A OE2 no hydrogen 2.865 N/A THR 8.A N GLU 38.A OE1 no hydrogen 2.843 N/A THR 8.A OG1 GLU 38.A OE1 no hydrogen 2.815 N/A THR 10.A N THR 21.A O no hydrogen 2.871 N/A THR 10.A OG1 THR 21.A O no hydrogen 3.293 N/A GLU 12.A N ARG 19.A O no hydrogen 3.164 N/A THR 14.A N VAL 17.A O no hydrogen 2.850 N/A ARG 16.A NH1 ALA 214.A O no hydrogen 2.909 N/A VAL 17.A N THR 14.A O no hydrogen 3.012 N/A ALA 18.A N VAL 54.A O no hydrogen 2.843 N/A ARG 19.A N GLU 12.A O no hydrogen 2.726 N/A ARG 19.A NE THR 14.A OG1 no hydrogen 2.885 N/A ARG 19.A NH1 GLU 207.A OE2 no hydrogen 2.809 N/A ARG 19.A NH2 GLU 207.A OE1 no hydrogen 2.708 N/A ARG 19.A NH2 GLU 207.A OE2 no hydrogen 3.487 N/A ILE 20.A N LEU 56.A O no hydrogen 2.892 N/A THR 21.A N THR 10.A O no hydrogen 3.050 N/A PHE 22.A N SER 58.A O no hydrogen 2.812 N/A ASN 23.A N THR 8.A O no hydrogen 2.826 N/A ARG 24.A N ASN 29.A OD1 no hydrogen 2.968 N/A ARG 24.A NH1 ALA 30.A O no hydrogen 2.885 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 2.935 N/A LYS 27.A N ARG 24.A O no hydrogen 2.919 N/A GLY 28.A N PRO 25.A O no hydrogen 3.096 N/A ASN 29.A N ARG 24.A O no hydrogen 2.836 N/A ASN 29.A ND2 ARG 60.A O no hydrogen 2.809 N/A ASN 29.A ND2 GLY 63.A O no hydrogen 3.088 N/A ASN 29.A ND2 PHE 64.A O no hydrogen 3.041 N/A ALA 30.A N LYS 27.A O no hydrogen 3.143 N/A ILE 31.A N GLY 67.A O no hydrogen 2.914 N/A VAL 32.A N THR 35.A OG1 no hydrogen 2.971 N/A THR 35.A N VAL 32.A O no hydrogen 2.918 N/A THR 35.A OG1 VAL 32.A O no hydrogen 3.171 N/A GLU 38.A N ASP 34.A O no hydrogen 2.868 N/A LEU 39.A N THR 35.A O no hydrogen 2.890 N/A SER 40.A N PRO 36.A O no hydrogen 3.015 N/A SER 40.A OG.A PRO 36.A O no hydrogen 2.981 N/A SER 40.A OG.A LEU 37.A O no hydrogen 3.108 N/A ALA 41.A N LEU 37.A O no hydrogen 3.043 N/A LEU 42.A N GLU 38.A O no hydrogen 2.949 N/A VAL 43.A N LEU 39.A O no hydrogen 2.981 N/A GLU 44.A N SER 40.A O no hydrogen 3.079 N/A ARG 45.A N ALA 41.A O no hydrogen 2.950 N/A ALA 46.A N LEU 42.A O no hydrogen 2.969 N/A ASP 47.A N VAL 43.A O no hydrogen 2.798 N/A LEU 48.A N GLU 44.A O no hydrogen 2.973 N/A LEU 48.A N ARG 45.A O no hydrogen 3.244 N/A ASP 49.A N ALA 46.A O no hydrogen 3.173 N/A ASP 51.A N ASP 49.A OD1 no hydrogen 2.938 N/A VAL 52.A N ASP 49.A O no hydrogen 2.941 N/A HIS 53.A N ARG 16.A O no hydrogen 2.882 N/A HIS 53.A ND1 MET 216.A O no hydrogen 2.678 N/A VAL 54.A N ARG 16.A O no hydrogen 3.358 N/A ILE 55.A N PRO 116.A O no hydrogen 3.006 N/A LEU 56.A N ALA 18.A O no hydrogen 2.846 N/A VAL 57.A N VAL 118.A O no hydrogen 2.707 N/A SER 58.A N ILE 20.A O no hydrogen 3.078 N/A ARG 60.A N PHE 22.A O no hydrogen 3.245 N/A ARG 60.A NH1 THR 10.A OG1 no hydrogen 3.058 N/A ARG 60.A NH1 THR 21.A O no hydrogen 2.976 N/A ARG 60.A NH1 PHE 22.A O no hydrogen 3.166 N/A ARG 60.A NH2 THR 10.A OG1 no hydrogen 2.877 N/A PHE 64.A N HIS 122.A O no hydrogen 3.215 N/A PHE 64.A N TYR 124.A O no hydrogen 3.028 N/A CYS 65.A N TYR 124.A O no hydrogen 3.428 N/A CYS 65.A SG ASN 29.A O no hydrogen 3.382 N/A ALA 66.A N GLY 28.A O no hydrogen 3.024 N/A ASP 69.A N ILE 31.A O no hydrogen 3.236 N/A THR 74.A N TYR 71.A O no hydrogen 2.919 N/A THR 74.A OG1 TYR 71.A O no hydrogen 2.794 N/A LEU 76.A N THR 74.A OG1 no hydrogen 2.997 N/A SER 77.A N THR 74.A O no hydrogen 3.006 N/A SER 77.A OG THR 74.A O no hydrogen 3.433 N/A SER 77.A OG THR 80.A OG1 no hydrogen 2.956 N/A THR 80.A N SER 77.A OG no hydrogen 2.950 N/A THR 80.A OG1 SER 77.A OG no hydrogen 2.956 N/A GLN 81.A N SER 77.A O no hydrogen 2.946 N/A GLN 81.A NE2 VAL 75.A O no hydrogen 2.950 N/A GLN 81.A NE2 VAL 95.A O no hydrogen 3.146 N/A ALA 82.A N GLY 78.A O no hydrogen 2.932 N/A LEU 83.A N LYS 79.A O no hydrogen 3.042 N/A ASN 84.A N THR 80.A O no hydrogen 3.079 N/A ASN 84.A ND2 ASP 92.A O no hydrogen 2.960 N/A HIS 85.A N ALA 82.A O no hydrogen 3.002 N/A HIS 85.A ND1 GLN 81.A O no hydrogen 2.900 N/A LEU 86.A N LEU 83.A O no hydrogen 3.475 N/A ASP 92.A N ASN 84.A OD1 no hydrogen 2.790 N/A MET 94.A N ASP 92.A OD1 no hydrogen 2.921 N/A VAL 95.A N ASP 92.A OD1 no hydrogen 3.039 N/A ASP 96.A N ASP 92.A O no hydrogen 3.183 N/A TYR 97.A N PRO 93.A O no hydrogen 2.836 N/A GLN 98.A N MET 94.A O no hydrogen 2.919 N/A MET 99.A N VAL 95.A O no hydrogen 3.430 N/A MET 100.A N ASP 96.A O no hydrogen 2.824 N/A SER 101.A N TYR 97.A O no hydrogen 2.857 N/A SER 101.A OG TYR 97.A O no hydrogen 2.802 N/A ARG 102.A N MET 99.A O no hydrogen 3.152 N/A ARG 102.A NH1 GLN 98.A O no hydrogen 3.019 N/A VAL 104.A N MET 100.A O no hydrogen 3.127 N/A ARG 105.A N SER 101.A O no hydrogen 2.848 N/A GLY 106.A N ARG 102.A O no hydrogen 3.180 N/A PHE 107.A N PHE 103.A O no hydrogen 3.069 N/A ALA 108.A N VAL 104.A O no hydrogen 2.820 N/A SER 109.A N GLY 106.A O no hydrogen 3.292 N/A SER 109.A OG GLY 106.A O no hydrogen 2.696 N/A LEU 110.A N PHE 107.A O no hydrogen 3.226 N/A MET 111.A N ALA 108.A O no hydrogen 3.011 N/A HIS 112.A N ALA 108.A O no hydrogen 3.026 N/A CYS 113.A N SER 109.A O no hydrogen 2.981 N/A CYS 113.A SG LEU 110.A O no hydrogen 3.686 N/A CYS 113.A SG LYS 115.A O no hydrogen 3.271 N/A ASP 114.A N ASP 47.A OD2 no hydrogen 2.844 N/A LYS 115.A N ASP 47.A OD1 no hydrogen 3.010 N/A LYS 115.A NZ ALA 46.A O no hydrogen 2.988 N/A LYS 115.A NZ ASP 47.A O no hydrogen 3.016 N/A LYS 115.A NZ VAL 52.A O no hydrogen 2.738 N/A THR 117.A N ASP 137.A OD2 no hydrogen 2.958 N/A THR 117.A OG1 LEU 110.A O no hydrogen 2.777 N/A THR 117.A OG1 ASP 137.A OD2 no hydrogen 3.315 N/A VAL 118.A N ILE 55.A O no hydrogen 2.761 N/A VAL 119.A N GLN 138.A O no hydrogen 2.841 N/A LYS 120.A N VAL 57.A O no hydrogen 3.035 N/A LYS 120.A NZ ASP 203.A OD1 no hydrogen 2.772 N/A ILE 121.A N ILE 140.A O no hydrogen 2.881 N/A HIS 122.A NE2 GLY 61.A O no hydrogen 2.865 N/A CYS 125.A N LYS 146.A O no hydrogen 2.860 N/A VAL 126.A N CYS 65.A O no hydrogen 3.246 N/A ALA 127.A N GLY 148.A O no hydrogen 2.851 N/A GLY 129.A N VAL 126.A O no hydrogen 2.954 N/A THR 130.A N ALA 127.A O no hydrogen 2.987 N/A THR 130.A OG1 ALA 127.A O no hydrogen 2.590 N/A ILE 132.A N GLY 128.A O no hydrogen 3.403 N/A ALA 133.A N GLY 129.A O no hydrogen 2.976 N/A LEU 134.A N THR 130.A O no hydrogen 3.046 N/A HIS 135.A N ILE 132.A O no hydrogen 3.052 N/A HIS 135.A ND1 ASP 131.A O no hydrogen 2.809 N/A ALA 136.A N ALA 133.A O no hydrogen 3.078 N/A ASP 137.A N THR 117.A OG1 no hydrogen 2.923 N/A GLN 138.A N THR 117.A O no hydrogen 2.954 N/A GLN 138.A NE2 ASP 137.A O no hydrogen 2.873 N/A ILE 140.A N VAL 119.A O no hydrogen 2.961 N/A ALA 141.A N GLU 195.A O no hydrogen 3.207 N/A ALA 142.A N ILE 121.A O no hydrogen 2.968 N/A ALA 143.A N PRO 197.A O no hydrogen 2.741 N/A ALA 145.A N ALA 142.A O no hydrogen 2.991 N/A LYS 146.A N GLY 123.A O no hydrogen 2.740 N/A LYS 146.A NZ ASP 282.A O no hydrogen 2.707 N/A LYS 146.A NZ GLY 284.A O no hydrogen 2.793 N/A LYS 146.A NZ ARG 286.A O no hydrogen 3.548 N/A ILE 147.A N ILE 182.A O no hydrogen 2.942 N/A GLY 148.A N CYS 125.A O no hydrogen 3.352 N/A MET 152.A N TYR 149.A O no hydrogen 3.247 N/A ARG 153.A N PRO 150.A O no hydrogen 2.935 N/A ARG 153.A NE THR 178.A O no hydrogen 2.862 N/A ARG 153.A NH1 ASP 277.A OD1 no hydrogen 2.916 N/A ARG 153.A NH1 ASP 282.A OD1 no hydrogen 2.824 N/A ARG 153.A NH2 THR 178.A O no hydrogen 3.414 N/A ARG 153.A NH2 ASP 282.A OD1 no hydrogen 3.461 N/A ARG 153.A NH2 ASP 282.A OD2 no hydrogen 2.801 N/A GLY 156.A N PRO 151.A O no hydrogen 2.979 N/A VAL 157.A N ASP 248.A OD1 no hydrogen 3.152 N/A ALA 160.A N ASP 131.A OD1 no hydrogen 3.102 N/A GLY 161.A N PRO 158.A O no hydrogen 3.001 N/A HIS 165.A ND1 GLN 235.A OE1 no hydrogen 2.805 N/A HIS 165.A NE2 SER 240.A OG no hydrogen 2.654 N/A ARG 166.A N LEU 162.A O no hydrogen 2.921 N/A ARG 166.A NE LEU 134.A O no hydrogen 2.831 N/A ARG 166.A NH2 LEU 134.A O no hydrogen 2.913 N/A LEU 167.A N TRP 163.A O no hydrogen 2.858 N/A GLY 168.A N ALA 164.A O no hydrogen 2.910 N/A GLN 170.A N GLN 170.A OE1.A no hydrogen 2.961 N/A ALA 172.A N GLY 168.A O no hydrogen 3.102 N/A LYS 173.A N ASP 169.A O no hydrogen 2.915 N/A LYS 173.A NZ ASP 169.A OD1 no hydrogen 3.094 N/A LYS 173.A NZ ASP 169.A OD2 no hydrogen 2.736 N/A ARG 174.A N GLN 170.A O no hydrogen 2.859 N/A ARG 174.A NH1 ARG 174.A O no hydrogen 3.115 N/A ARG 174.A NH1 ASP 180.A OD2 no hydrogen 2.856 N/A LEU 175.A N ARG 171.A O no hydrogen 3.279 N/A LEU 175.A N ALA 172.A O no hydrogen 3.102 N/A LEU 176.A N ALA 172.A O no hydrogen 2.883 N/A PHE 177.A N LYS 173.A O no hydrogen 2.836 N/A THR 178.A N LEU 175.A O no hydrogen 3.438 N/A THR 178.A OG1 ARG 174.A O no hydrogen 2.840 N/A THR 178.A OG1 LEU 175.A O no hydrogen 3.495 N/A GLY 179.A N LEU 175.A O no hydrogen 2.817 N/A ASP 180.A N THR 178.A OG1 no hydrogen 3.063 N/A CYS 181.A N SER 288.A OG no hydrogen 3.042 N/A ILE 182.A N ILE 147.A O no hydrogen 2.753 N/A THR 183.A N GLN 186.A OE1 no hydrogen 3.133 N/A GLY 184.A N ALA 145.A O no hydrogen 2.993 N/A ALA 185.A N ALA 143.A O no hydrogen 2.954 N/A GLN 186.A N THR 183.A OG1 no hydrogen 3.053 N/A GLN 186.A NE2 VAL 290.A OXT no hydrogen 2.840 N/A ALA 187.A N THR 183.A O no hydrogen 2.919 N/A ALA 188.A N GLY 184.A O no hydrogen 3.088 N/A GLU 189.A N ALA 185.A O no hydrogen 3.093 N/A TRP 190.A N GLN 186.A O no hydrogen 2.768 N/A GLY 191.A N ALA 188.A O no hydrogen 2.959 N/A ALA 193.A N ALA 187.A O no hydrogen 2.940 N/A VAL 194.A N VAL 139.A O no hydrogen 2.798 N/A ALA 200.A N ASP 198.A OD1.A no hydrogen 3.060 N/A ASP 201.A N ASP 198.A O no hydrogen 2.862 N/A ARG 205.A N ASP 201.A O no hydrogen 2.974 N/A ARG 205.A NE GLU 195.A OE2 no hydrogen 2.919 N/A ARG 205.A NH2 GLU 195.A OE1 no hydrogen 3.172 N/A ARG 205.A NH2 GLU 195.A OE2 no hydrogen 3.334 N/A THR 206.A N LEU 202.A O no hydrogen 2.858 N/A THR 206.A OG1 LEU 202.A O no hydrogen 2.762 N/A GLU 207.A N ASP 203.A O no hydrogen 2.916 N/A ARG 208.A N ALA 204.A O no hydrogen 2.961 N/A LEU 209.A N ARG 205.A O no hydrogen 2.955 N/A VAL 210.A N THR 206.A O no hydrogen 2.974 N/A GLU 211.A N GLU 207.A O no hydrogen 2.944 N/A ARG 212.A N ARG 208.A O no hydrogen 3.047 N/A ILE 213.A N LEU 209.A O no hydrogen 3.166 N/A ALA 214.A N VAL 210.A O no hydrogen 2.790 N/A ALA 215.A N GLU 211.A O no hydrogen 2.879 N/A MET 216.A N ILE 213.A O no hydrogen 2.967 N/A LEU 221.A N PRO 217.A O no hydrogen 3.077 N/A ILE 222.A N VAL 218.A O no hydrogen 2.856 N/A MET 223.A N ASN 219.A O no hydrogen 3.082 N/A ALA 224.A N GLN 220.A O no hydrogen 2.950 N/A LYS 225.A N LEU 221.A O no hydrogen 3.034 N/A LYS 225.A NZ LEU 110.A O no hydrogen 3.046 N/A LYS 225.A NZ CYS 113.A O no hydrogen 3.273 N/A LYS 225.A NZ LYS 115.A O no hydrogen 3.091 N/A LYS 225.A NZ ASP 137.A OD1 no hydrogen 3.368 N/A LYS 225.A NZ ASP 137.A OD2 no hydrogen 2.613 N/A LEU 226.A N ILE 222.A O no hydrogen 2.945 N/A ALA 227.A N MET 223.A O no hydrogen 2.838 N/A CYS 228.A N ALA 224.A O no hydrogen 2.950 N/A CYS 228.A SG ALA 224.A O no hydrogen 3.420 N/A ASN 229.A N LYS 225.A O no hydrogen 2.788 N/A ASN 229.A ND2 MET 111.A O no hydrogen 2.948 N/A THR 230.A N LEU 226.A O no hydrogen 3.216 N/A THR 230.A N ALA 227.A O no hydrogen 3.252 N/A THR 230.A OG1 ALA 227.A O no hydrogen 2.801 N/A LEU 232.A N CYS 228.A O no hydrogen 3.296 N/A LEU 233.A N ASN 229.A O no hydrogen 2.916 N/A ASN 234.A N THR 230.A O no hydrogen 3.085 N/A GLN 235.A N LEU 232.A O no hydrogen 3.075 N/A GLY 236.A N LEU 233.A O no hydrogen 3.132 N/A SER 240.A N GLY 236.A O no hydrogen 3.036 N/A SER 240.A OG HIS 165.A NE2 no hydrogen 2.654 N/A SER 240.A OG GLY 236.A O no hydrogen 3.244 N/A GLN 241.A N VAL 237.A O no hydrogen 2.922 N/A GLN 241.A NE2 HIS 135.A NE2 no hydrogen 2.981 N/A GLN 241.A NE2 ALA 160.A O no hydrogen 2.890 N/A MET 242.A N ALA 238.A O no hydrogen 2.966 N/A VAL 243.A N THR 239.A O no hydrogen 2.984 N/A SER 244.A N SER 240.A O no hydrogen 3.085 N/A SER 244.A OG SER 240.A O no hydrogen 2.700 N/A THR 245.A N GLN 241.A O no hydrogen 2.988 N/A THR 245.A OG1 ALA 159.A O no hydrogen 2.886 N/A THR 245.A OG1 GLN 241.A O no hydrogen 3.011 N/A VAL 246.A N MET 242.A O no hydrogen 3.135 N/A PHE 247.A N VAL 243.A O no hydrogen 2.886 N/A ASP 248.A N SER 244.A O no hydrogen 2.841 N/A GLY 249.A N THR 245.A O no hydrogen 3.245 N/A ILE 250.A N VAL 246.A O no hydrogen 3.019 N/A ALA 251.A N PHE 247.A O no hydrogen 2.824 N/A ARG 252.A N ASP 248.A O no hydrogen 3.126 N/A ARG 252.A NE ASP 248.A OD2 no hydrogen 3.017 N/A ARG 252.A NH1 HIS 85.A NE2 no hydrogen 3.205 N/A ARG 252.A NH1 ASP 96.A OD1 no hydrogen 3.479 N/A ARG 252.A NH1 ASP 96.A OD2 no hydrogen 2.686 N/A ARG 252.A NH2 ASP 96.A OD1 no hydrogen 2.863 N/A ARG 252.A NH2 ASP 248.A OD2 no hydrogen 2.932 N/A HIS 253.A N ILE 250.A O no hydrogen 2.904 N/A HIS 253.A ND1 GLY 249.A O no hydrogen 2.629 N/A HIS 253.A NE2 ASN 84.A O no hydrogen 2.785 N/A THR 254.A OG1 ALA 251.A O no hydrogen 3.356 N/A THR 254.A OG1 GLU 256.A OE1 no hydrogen 3.494 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.750 N/A GLY 257.A N THR 254.A OG1 no hydrogen 3.122 N/A HIS 258.A N THR 254.A O no hydrogen 2.990 N/A ALA 259.A N PRO 255.A O no hydrogen 2.978 N/A PHE 260.A N GLU 256.A O no hydrogen 3.083 N/A VAL 261.A N GLY 257.A O no hydrogen 3.063 N/A ALA 262.A N HIS 258.A O no hydrogen 2.954 N/A THR 263.A N ALA 259.A O no hydrogen 3.088 N/A THR 263.A OG1 ALA 259.A O no hydrogen 3.018 N/A ALA 264.A N PHE 260.A O no hydrogen 2.903 N/A ARG 265.A N VAL 261.A O no hydrogen 2.906 N/A GLU 266.A N ALA 262.A O no hydrogen 3.104 N/A HIS 267.A N THR 263.A O no hydrogen 2.867 N/A ALA 272.A N GLY 268.A O no hydrogen 3.003 N/A VAL 273.A N PHE 269.A O no hydrogen 2.860 N/A ARG 274.A N ARG 270.A O no hydrogen 2.994 N/A ARG 274.A NE GLU 271.A OE1 no hydrogen 2.870 N/A ARG 274.A NE GLU 271.A OE2 no hydrogen 3.496 N/A ARG 274.A NH1 GLU 278.A OE2 no hydrogen 3.007 N/A ARG 274.A NH2 GLU 271.A OE2 no hydrogen 3.034 N/A ARG 275.A N GLU 271.A O no hydrogen 2.989 N/A ARG 275.A NE GLU 271.A OE2 no hydrogen 2.760 N/A ARG 276.A N ALA 272.A O no hydrogen 3.015 N/A ARG 276.A NE ASP 277.A OD1 no hydrogen 2.686 N/A ARG 276.A NH2 ASP 277.A OD1 no hydrogen 3.254 N/A ARG 276.A NH2 ASP 277.A OD2 no hydrogen 2.866 N/A ASP 277.A N VAL 273.A O no hydrogen 2.975 N/A GLU 278.A N ARG 274.A O no hydrogen 2.775 N/A MET 280.A N ASP 277.A O no hydrogen 2.827 N/A GLY 281.A N GLU 278.A O no hydrogen 2.975 N/A HIS 283.A N HIS 283.A ND1 no hydrogen 2.669 N/A ARG 285.A NH2.A ASP 144.A O no hydrogen 2.960 N/A ARG 286.A NH1 HIS 283.A O no hydrogen 2.975 N/A SER 288.A OG CYS 181.A O no hydrogen 3.514 N/A SER 288.A OG ASP 282.A OD2 no hydrogen 2.581 N/A