Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 ASP 90.A OD1 no hydrogen 2.780 N/A PHE 5.A N SER 1.A O no hydrogen 3.102 N/A ARG 6.A N HIS 2.A O no hydrogen 2.844 N/A ARG 6.A NE GLY 89.A O no hydrogen 2.704 N/A ARG 6.A NH1 GLU 3.A OE1 no hydrogen 3.259 N/A ARG 6.A NH2 GLY 89.A O no hydrogen 3.069 N/A ALA 7.A N GLU 3.A O no hydrogen 3.157 N/A ALA 8.A N GLN 4.A O no hydrogen 3.276 N/A LEU 9.A N PHE 5.A O no hydrogen 3.159 N/A GLN 10.A N ARG 6.A O no hydrogen 2.957 N/A GLN 10.A NE2 GLN 10.A O no hydrogen 3.100 N/A LEU 11.A N ALA 8.A O no hydrogen 3.102 N/A VAL 12.A N LEU 9.A O no hydrogen 2.912 N/A VAL 13.A N LEU 9.A O no hydrogen 3.015 N/A ASP 14.A N SER 85.A O no hydrogen 2.631 N/A ARG 19.A N ASP 17.A OD1 no hydrogen 2.909 N/A ARG 19.A NE ASP 17.A OD1 no hydrogen 3.088 N/A ARG 19.A NE ASP 17.A OD2 no hydrogen 3.216 N/A ARG 19.A NH2 ASP 17.A OD2 no hydrogen 2.335 N/A SER 20.A N ASP 17.A O no hydrogen 3.141 N/A SER 20.A OG ASP 17.A O no hydrogen 3.034 N/A TYR 21.A N PRO 18.A O no hydrogen 2.939 N/A TYR 21.A OH TYR 86.A OH no hydrogen 2.713 N/A LEU 22.A N PRO 18.A O no hydrogen 2.879 N/A ASP 23.A N THR 40.A O no hydrogen 2.924 N/A ILE 26.A N ILE 38.A O no hydrogen 2.908 N/A ILE 28.A N VAL 36.A O no hydrogen 2.775 N/A GLY 29.A N VAL 36.A O no hydrogen 3.280 N/A GLY 31.A N GLY 34.A O no hydrogen 3.043 N/A ILE 35.A N LYS 52.A O no hydrogen 2.867 N/A VAL 36.A N GLY 29.A O no hydrogen 2.990 N/A CYS 37.A N VAL 50.A O no hydrogen 2.922 N/A ILE 38.A N ILE 26.A O no hydrogen 2.833 N/A ALA 39.A N VAL 48.A O no hydrogen 2.973 N/A THR 40.A N ASP 23.A O no hydrogen 2.789 N/A VAL 41.A N LYS 46.A O no hydrogen 2.676 N/A ARG 42.A N TYR 21.A O no hydrogen 2.839 N/A ARG 42.A NH1 ASP 23.A OD1 no hydrogen 2.607 N/A GLY 45.A N VAL 41.A O no hydrogen 2.910 N/A LYS 46.A N SER 44.A OG no hydrogen 2.894 N/A VAL 48.A N ALA 39.A O no hydrogen 2.994 N/A ALA 49.A N MET 96.A O no hydrogen 2.947 N/A VAL 50.A N CYS 37.A O no hydrogen 2.783 N/A LYS 51.A N VAL 94.A O no hydrogen 2.805 N/A LYS 51.A NZ THR 33.A OG1 no hydrogen 3.331 N/A LYS 51.A NZ GLU 67.A OE2 no hydrogen 3.384 N/A LYS 51.A NZ ASP 159.A OD1.A no hydrogen 3.307 N/A LYS 51.A NZ ASP 159.A OD1.B no hydrogen 2.676 N/A LYS 52.A N ILE 35.A O no hydrogen 2.828 N/A MET 53.A N LEU 92.A O no hydrogen 2.903 N/A LEU 55.A N ASP 90.A O no hydrogen 2.913 N/A ARG 56.A N ASP 54.A OD1 no hydrogen 2.881 N/A ARG 56.A NE ASP 54.A OD1 no hydrogen 2.982 N/A ARG 56.A NH2 ASP 54.A OD1 no hydrogen 3.164 N/A LYS 57.A N ASP 54.A O no hydrogen 3.218 N/A GLN 58.A NE2 THR 33.A O no hydrogen 2.770 N/A GLN 58.A NE2 ASP 54.A O no hydrogen 2.874 N/A ARG 60.A NE GLU 62.A OE2 no hydrogen 2.826 N/A ARG 60.A NH2 GLU 62.A OE2 no hydrogen 3.297 N/A ARG 61.A NH2 SER 1.A OG.B no hydrogen 2.954 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.907 N/A LEU 63.A N ARG 60.A O no hydrogen 3.086 N/A LEU 64.A N ARG 61.A O no hydrogen 3.153 N/A PHE 65.A N GLU 62.A O no hydrogen 3.232 N/A ASN 66.A N LEU 63.A O no hydrogen 2.734 N/A ASN 66.A ND2 GLY 161.A O no hydrogen 3.219 N/A ASN 66.A ND2 CYS 163.A O no hydrogen 2.803 N/A GLU 67.A N LEU 64.A O no hydrogen 3.274 N/A VAL 69.A N PHE 65.A O no hydrogen 3.093 N/A ILE 70.A N ASN 66.A O no hydrogen 3.224 N/A MET 71.A N GLU 67.A O no hydrogen 3.285 N/A ARG 72.A N VAL 68.A O no hydrogen 2.917 N/A ARG 72.A NH2 VAL 12.A O no hydrogen 3.121 N/A ASP 73.A N ILE 70.A O no hydrogen 3.060 N/A TYR 74.A N ILE 70.A O no hydrogen 2.953 N/A GLN 75.A NE2 ILE 70.A O no hydrogen 3.301 N/A GLN 75.A NE2 TYR 74.A O no hydrogen 2.875 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.877 N/A ASN 78.A ND2 VAL 155.A O no hydrogen 2.884 N/A VAL 79.A N HIS 76.A O no hydrogen 2.845 N/A VAL 80.A N LEU 157.A O no hydrogen 2.972 N/A GLU 81.A N GLU 97.A OE1 no hydrogen 3.283 N/A MET 82.A N GLN 75.A OE1 no hydrogen 3.232 N/A TYR 83.A N VAL 95.A O no hydrogen 2.822 N/A ASN 84.A N VAL 95.A O no hydrogen 3.314 N/A ASN 84.A ND2 ASP 14.A OD2 no hydrogen 2.948 N/A SER 85.A N ASP 14.A OD2 no hydrogen 3.045 N/A TYR 86.A N TRP 93.A O no hydrogen 2.833 N/A TYR 86.A OH TYR 21.A OH no hydrogen 2.713 N/A VAL 88.A N GLU 91.A O no hydrogen 2.848 N/A GLU 91.A N VAL 88.A O no hydrogen 2.905 N/A LEU 92.A N MET 53.A O no hydrogen 2.794 N/A TRP 93.A N TYR 86.A O no hydrogen 2.786 N/A TRP 93.A NE1 GLU 91.A OE1 no hydrogen 2.902 N/A VAL 94.A N LYS 51.A O no hydrogen 2.847 N/A VAL 95.A N ASN 84.A O no hydrogen 2.963 N/A MET 96.A N ALA 49.A O no hydrogen 2.786 N/A GLU 97.A N GLU 81.A O no hydrogen 2.773 N/A GLU 100.A N GLU 100.A OE2 no hydrogen 2.766 N/A GLY 101.A N LEU 149.A O no hydrogen 2.738 N/A GLY 102.A N LEU 99.A O no hydrogen 3.078 N/A LEU 104.A N ILE 147.A O no hydrogen 2.756 N/A THR 105.A OG1 SER 144.A OG no hydrogen 2.815 N/A ILE 107.A N LEU 104.A O no hydrogen 3.010 N/A VAL 108.A N LEU 104.A O no hydrogen 3.142 N/A THR 109.A N THR 105.A O no hydrogen 2.974 N/A THR 109.A OG1 THR 105.A O no hydrogen 2.966 N/A THR 109.A OG1 HIS 110.A ND1 no hydrogen 3.318 N/A HIS 110.A N ILE 107.A O no hydrogen 3.024 N/A HIS 110.A ND1 ASP 106.A O no hydrogen 2.769 N/A THR 111.A N ILE 107.A O no hydrogen 2.776 N/A THR 111.A OG1 ILE 107.A O no hydrogen 3.264 N/A ASN 114.A N GLN 117.A OE1 no hydrogen 2.830 N/A GLN 117.A N ASN 114.A OD1 no hydrogen 3.065 N/A GLN 117.A NE2 SER 279.A O no hydrogen 3.043 N/A ILE 118.A N ASN 114.A O no hydrogen 3.001 N/A ALA 119.A N GLU 115.A O no hydrogen 3.003 N/A ALA 120.A N GLU 116.A O no hydrogen 2.957 N/A VAL 121.A N GLN 117.A O no hydrogen 2.926 N/A CYS 122.A N ILE 118.A O no hydrogen 2.960 N/A CYS 122.A SG ILE 118.A O no hydrogen 3.306 N/A LEU 123.A N ALA 119.A O no hydrogen 2.926 N/A ALA 124.A N ALA 120.A O no hydrogen 3.143 N/A VAL 125.A N VAL 121.A O no hydrogen 2.869 N/A LEU 126.A N CYS 122.A O no hydrogen 2.769 N/A GLN 127.A N LEU 123.A O no hydrogen 2.925 N/A GLN 127.A NE2 ASN 78.A OD1 no hydrogen 2.936 N/A ALA 128.A N ALA 124.A O no hydrogen 3.339 N/A LEU 129.A N VAL 125.A O no hydrogen 2.879 N/A SER 130.A N LEU 126.A O no hydrogen 2.767 N/A SER 130.A OG LEU 126.A O no hydrogen 3.056 N/A SER 130.A OG GLN 127.A O no hydrogen 3.347 N/A VAL 131.A N GLN 127.A O no hydrogen 3.422 N/A LEU 132.A N ALA 128.A O no hydrogen 3.005 N/A HIS 133.A N LEU 129.A O no hydrogen 2.736 N/A HIS 133.A NE2 ASP 197.A OD2 no hydrogen 2.763 N/A ALA 134.A N SER 130.A O no hydrogen 3.024 N/A GLN 135.A N VAL 131.A O no hydrogen 3.209 N/A GLN 135.A N LEU 132.A O no hydrogen 2.841 N/A GLY 136.A N HIS 133.A O no hydrogen 2.899 N/A VAL 137.A N LEU 132.A O no hydrogen 3.072 N/A ILE 138.A N ALA 164.A O no hydrogen 2.934 N/A HIS 139.A N ASP 197.A OD2 no hydrogen 2.887 N/A HIS 139.A NE2 SER 158.A O no hydrogen 2.632 N/A ARG 140.A N ASP 197.A OD1 no hydrogen 2.876 N/A ARG 140.A NE VAL 162.A O no hydrogen 2.810 N/A ARG 140.A NH2 VAL 162.A O no hydrogen 3.166 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.039 N/A LYS 143.A NZ THR 178.A OG1 no hydrogen 2.655 N/A SER 144.A N GLU 207.A OE1 no hydrogen 3.090 N/A SER 144.A OG THR 105.A OG1 no hydrogen 2.815 N/A SER 144.A OG ASP 145.A OD1 no hydrogen 3.452 N/A SER 144.A OG GLU 207.A OE1 no hydrogen 3.406 N/A SER 144.A OG GLU 207.A OE2 no hydrogen 2.426 N/A SER 146.A N LYS 143.A O no hydrogen 2.756 N/A SER 146.A OG ASP 141.A O no hydrogen 2.930 N/A ILE 147.A N SER 144.A O no hydrogen 3.183 N/A LEU 148.A N LYS 156.A O no hydrogen 2.800 N/A LEU 149.A N GLY 102.A O no hydrogen 2.824 N/A THR 150.A N ARG 154.A O no hydrogen 2.966 N/A THR 150.A OG1 ASP 152.A OD1 no hydrogen 2.483 N/A HIS 151.A N GLU 100.A OE1 no hydrogen 2.654 N/A HIS 151.A ND1 GLU 100.A OE1 no hydrogen 2.899 N/A GLY 153.A N THR 150.A O no hydrogen 3.015 N/A ARG 154.A N THR 150.A OG1 no hydrogen 2.945 N/A LYS 156.A N LEU 148.A O no hydrogen 2.817 N/A LYS 156.A NZ GLU 97.A OE1 no hydrogen 3.178 N/A LYS 156.A NZ GLU 97.A OE2 no hydrogen 3.092 N/A LEU 157.A N ASN 78.A O no hydrogen 2.876 N/A CYS 163.A N PHE 160.A O no hydrogen 2.989 N/A CYS 163.A SG PHE 160.A O no hydrogen 2.997 N/A ALA 164.A N ILE 138.A O no hydrogen 3.058 N/A VAL 166.A N GLY 136.A O no hydrogen 2.831 N/A SER 167.A N VAL 170.A O no hydrogen 2.949 N/A SER 167.A OG GLU 169.A OE1.A no hydrogen 3.315 N/A VAL 170.A N SER 167.A O no hydrogen 2.856 N/A ARG 172.A NH1 GLU 195.A OE1 no hydrogen 3.506 N/A ARG 172.A NH2 GLU 195.A OE1 no hydrogen 3.537 N/A ARG 172.A NH2 GLU 195.A OE2 no hydrogen 3.234 N/A ARG 173.A N TYR 192.A O no hydrogen 3.016 N/A ARG 173.A NH1 GLN 165.A O no hydrogen 2.965 N/A THR 178.A OG1 ASP 141.A OD1 no hydrogen 2.799 N/A TYR 180.A OH GLU 218.A O no hydrogen 2.764 N/A TRP 181.A N THR 178.A O no hydrogen 2.897 N/A TRP 181.A NE1 GLU 207.A OE1 no hydrogen 2.832 N/A MET 182.A N PRO 179.A O no hydrogen 3.051 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.870 N/A LEU 186.A N ALA 183.A O no hydrogen 3.228 N/A ILE 187.A N ALA 183.A O no hydrogen 3.011 N/A SER 188.A N PRO 184.A O no hydrogen 2.762 N/A SER 188.A OG PRO 184.A O no hydrogen 2.999 N/A ARG 189.A N LEU 186.A O no hydrogen 3.225 N/A ARG 189.A NE LEU 186.A O no hydrogen 3.494 N/A ARG 189.A NH1 LYS 174.A O no hydrogen 2.948 N/A ARG 189.A NH2 LYS 174.A O no hydrogen 2.795 N/A ARG 189.A NH2 LEU 186.A O no hydrogen 3.471 N/A LEU 190.A N GLU 185.A O no hydrogen 2.963 N/A TYR 192.A N ARG 173.A O no hydrogen 2.959 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.756 N/A VAL 196.A N GLY 193.A O no hydrogen 3.278 N/A ASP 197.A N PRO 194.A O no hydrogen 2.888 N/A TRP 199.A N GLU 195.A O no hydrogen 3.245 N/A SER 200.A N VAL 196.A O no hydrogen 3.063 N/A SER 200.A OG TRP 181.A O no hydrogen 2.809 N/A SER 200.A OG VAL 196.A O no hydrogen 3.052 N/A LEU 201.A N ASP 197.A O no hydrogen 2.802 N/A GLY 202.A N ILE 198.A O no hydrogen 3.047 N/A ILE 203.A N TRP 199.A O no hydrogen 3.093 N/A MET 204.A N SER 200.A O no hydrogen 3.081 N/A VAL 205.A N LEU 201.A O no hydrogen 2.745 N/A ILE 206.A N GLY 202.A O no hydrogen 3.037 N/A GLU 207.A N ILE 203.A O no hydrogen 2.853 N/A MET 208.A N MET 204.A O no hydrogen 2.904 N/A VAL 209.A N VAL 205.A O no hydrogen 2.894 N/A ASP 210.A N ILE 206.A O no hydrogen 2.657 N/A GLY 211.A N GLU 207.A O no hydrogen 2.605 N/A GLU 218.A N TYR 215.A O no hydrogen 3.183 N/A ALA 223.A N PRO 219.A O no hydrogen 3.107 N/A MET 224.A N PRO 220.A O no hydrogen 2.927 N/A LYS 225.A N LEU 221.A O no hydrogen 3.214 N/A MET 226.A N LYS 222.A O no hydrogen 3.068 N/A ILE 227.A N ALA 223.A O no hydrogen 2.774 N/A ARG 228.A N MET 224.A O no hydrogen 2.812 N/A ARG 228.A NE ASP 229.A OD1 no hydrogen 2.928 N/A ARG 228.A NH2 ASP 229.A OD1 no hydrogen 3.199 N/A ARG 228.A NH2 ASP 229.A OD2 no hydrogen 3.026 N/A ASP 229.A N LYS 225.A O no hydrogen 2.661 N/A ASN 230.A N MET 226.A O no hydrogen 2.902 N/A LYS 236.A N ASP 210.A OD2 no hydrogen 2.906 N/A LYS 240.A N ASN 237.A O no hydrogen 3.159 N/A VAL 241.A N LEU 238.A O no hydrogen 3.179 N/A SER 242.A N GLU 115.A OE2 no hydrogen 2.840 N/A SER 242.A OG GLU 115.A OE1 no hydrogen 2.546 N/A SER 242.A OG GLU 115.A OE2 no hydrogen 3.172 N/A LEU 245.A N SER 242.A OG no hydrogen 3.188 N/A LYS 246.A N SER 242.A O no hydrogen 2.926 N/A LYS 246.A NZ ASP 250.A OD1 no hydrogen 2.908 N/A LYS 246.A NZ ASP 250.A OD2 no hydrogen 3.141 N/A GLY 247.A N PRO 243.A O no hydrogen 2.905 N/A PHE 248.A N SER 244.A O no hydrogen 3.075 N/A LEU 249.A N LEU 245.A O no hydrogen 3.017 N/A ASP 250.A N LYS 246.A O no hydrogen 2.987 N/A ARG 251.A N GLY 247.A O no hydrogen 3.294 N/A ARG 251.A N PHE 248.A O no hydrogen 2.808 N/A ARG 251.A NH1 GLN 259.A O no hydrogen 2.946 N/A ARG 251.A NH2 GLN 259.A O no hydrogen 3.404 N/A LEU 252.A N LEU 249.A O no hydrogen 2.935 N/A LEU 253.A N LEU 249.A O no hydrogen 2.899 N/A VAL 254.A N LEU 252.A O no hydrogen 2.819 N/A ARG 255.A NH1 ILE 227.A O no hydrogen 2.976 N/A ARG 255.A NH2 ARG 228.A O no hydrogen 2.203 N/A ALA 258.A N ASP 256.A OD1 no hydrogen 2.900 N/A GLN 259.A N ASP 256.A O no hydrogen 2.972 N/A ARG 260.A N ASP 256.A O no hydrogen 3.298 N/A ARG 260.A NE VAL 254.A O no hydrogen 2.795 N/A ARG 260.A NH1 GLU 185.A OE2 no hydrogen 2.925 N/A ARG 260.A NH1 GLU 195.A O no hydrogen 2.651 N/A ARG 260.A NH2 GLU 185.A OE1 no hydrogen 2.764 N/A ARG 260.A NH2 GLU 185.A OE2 no hydrogen 3.433 N/A ARG 260.A NH2 VAL 254.A O no hydrogen 2.842 N/A ARG 260.A NH2 ARG 255.A O no hydrogen 3.319 N/A ALA 261.A N ARG 251.A O no hydrogen 3.060 N/A LEU 266.A N ALA 262.A O no hydrogen 3.033 N/A LYS 267.A N GLU 264.A O no hydrogen 2.878 N/A HIS 268.A N LEU 265.A O no hydrogen 2.896 N/A PHE 270.A N HIS 268.A ND1 no hydrogen 2.972 N/A LEU 271.A N HIS 268.A O no hydrogen 3.045 N/A ALA 272.A N PRO 269.A O no hydrogen 2.769 N/A LYS 273.A N PHE 270.A O no hydrogen 3.231 N/A ALA 274.A N LEU 271.A O no hydrogen 2.890 N/A GLY 275.A N GLU 116.A O no hydrogen 3.276 N/A SER 279.A N PRO 276.A O no hydrogen 3.029 N/A SER 279.A OG PRO 276.A O no hydrogen 2.596 N/A ILE 280.A N PRO 277.A O no hydrogen 2.850 N/A LEU 283.A N ILE 280.A O no hydrogen 2.993 N/A MET 284.A N VAL 281.A O no hydrogen 3.435 N/A ARG 285.A NH2 ASP 106.A OD1 no hydrogen 2.808 N/A GLN 286.A N GLN 286.A OE1 no hydrogen 2.910 N/A ASN 287.A N MET 284.A O no hydrogen 2.763 N/A ASN 287.A ND2 VAL 281.A O no hydrogen 2.350 N/A ARG 288.A N MET 284.A O no hydrogen 3.218 N/A ARG 288.A NH1 ASP 106.A OD2 no hydrogen 3.060 N/A ARG 288.A NH2 ASP 106.A OD2 no hydrogen 3.521 N/A ARG 288.A NH2 LEU 283.A O no hydrogen 2.842 N/A