Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jjf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 139.A OD1 no hydrogen 2.741 N/A LYS 2.A NZ ALA 134.A O no hydrogen 2.738 N/A LYS 2.A NZ ALA 136.A O no hydrogen 2.605 N/A LEU 3.A N GLU 58.A O no hydrogen 2.901 N/A ALA 4.A N PHE 140.A O no hydrogen 2.874 N/A ILE 5.A N VAL 60.A O no hydrogen 2.808 N/A LEU 6.A N MET 142.A O no hydrogen 2.743 N/A GLY 7.A N ALA 62.A O no hydrogen 2.819 N/A ALA 8.A N ASP 63.A OD2 no hydrogen 2.823 N/A TYR 11.A N ILE 115.A O no hydrogen 3.068 N/A ARG 12.A NH1 LEU 107.A O no hydrogen 2.906 N/A ARG 12.A NH1 PRO 108.A O no hydrogen 3.358 N/A ARG 12.A NH2 PRO 108.A O no hydrogen 2.635 N/A HIS 14.A ND1 GLU 209.A OE2 no hydrogen 2.673 N/A ALA 15.A N TYR 11.A O no hydrogen 3.014 N/A ALA 16.A N ARG 12.A O no hydrogen 2.775 N/A SER 17.A N THR 13.A O no hydrogen 2.984 N/A SER 17.A OG HIS 14.A O no hydrogen 2.741 N/A GLY 18.A N ALA 15.A O no hydrogen 3.031 N/A THR 20.A OG1 HIS 14.A O no hydrogen 3.399 N/A PHE 22.A N HIS 85.A NE2 no hydrogen 2.877 N/A SER 23.A N ASN 21.A OD1 no hydrogen 2.941 N/A SER 23.A OG ASN 21.A OD1 no hydrogen 2.714 N/A ARG 24.A N MET 210.A O no hydrogen 3.384 N/A ARG 24.A NE GLU 27.A OE1 no hydrogen 3.533 N/A ARG 24.A NH1 GLU 49.A OE2 no hydrogen 3.420 N/A ARG 24.A NH2 GLU 27.A OE1 no hydrogen 3.445 N/A ALA 25.A N GLU 209.A O no hydrogen 3.073 N/A CYS 26.A N PHE 22.A O no hydrogen 2.874 N/A CYS 26.A SG PHE 22.A O no hydrogen 3.478 N/A CYS 26.A SG ALA 38.A O no hydrogen 3.911 N/A GLU 27.A N SER 23.A O no hydrogen 3.056 N/A VAL 28.A N ARG 24.A O no hydrogen 2.926 N/A ALA 29.A N ALA 25.A O no hydrogen 2.958 N/A GLU 30.A N CYS 26.A O no hydrogen 2.975 N/A MET 31.A N GLU 27.A O no hydrogen 2.847 N/A VAL 32.A N VAL 28.A O no hydrogen 3.008 N/A GLY 33.A N GLU 30.A O no hydrogen 3.355 N/A LYS 34.A N ALA 29.A O no hydrogen 2.795 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.798 N/A ILE 37.A N LYS 34.A O no hydrogen 3.160 N/A ALA 38.A N PRO 35.A O no hydrogen 2.800 N/A THR 40.A N ILE 37.A O no hydrogen 3.072 N/A THR 40.A OG1 ILE 37.A O no hydrogen 2.681 N/A THR 40.A OG1 THR 45.A OG1 no hydrogen 3.043 N/A HIS 41.A ND1 SER 42.A OG no hydrogen 2.901 N/A HIS 41.A NE2 ILE 115.A O no hydrogen 2.845 N/A SER 42.A N GLU 209.A OE1 no hydrogen 3.106 N/A SER 42.A OG HIS 41.A ND1 no hydrogen 2.901 N/A THR 43.A OG1 GLY 7.A O no hydrogen 3.515 N/A ILE 44.A N HIS 41.A O no hydrogen 3.050 N/A THR 45.A N HIS 41.A O no hydrogen 3.337 N/A THR 45.A OG1 THR 40.A OG1 no hydrogen 3.043 N/A MET 46.A N SER 42.A O no hydrogen 3.233 N/A GLY 47.A N THR 43.A O no hydrogen 2.814 N/A ALA 48.A N ILE 44.A O no hydrogen 2.906 N/A GLU 49.A N THR 45.A O no hydrogen 2.943 N/A LEU 50.A N MET 46.A O no hydrogen 3.030 N/A LYS 51.A N GLY 47.A O no hydrogen 2.959 N/A GLU 52.A N ALA 48.A O no hydrogen 2.790 N/A LEU 53.A N GLU 49.A O no hydrogen 2.888 N/A ALA 54.A N LEU 50.A O no hydrogen 3.096 N/A VAL 56.A N LEU 50.A O no hydrogen 3.114 N/A VAL 60.A N LEU 3.A O no hydrogen 3.039 N/A VAL 61.A N GLU 126.A O no hydrogen 2.859 N/A ALA 62.A N ILE 5.A O no hydrogen 2.807 N/A ASP 63.A N THR 128.A O no hydrogen 3.188 N/A VAL 65.A N ASP 63.A OD1 no hydrogen 2.989 N/A PHE 66.A N ASP 63.A O no hydrogen 3.246 N/A ASP 67.A N PRO 64.A O no hydrogen 3.261 N/A ASN 68.A N VAL 65.A O no hydrogen 2.705 N/A ASN 68.A ND2 PRO 111.A O no hydrogen 2.709 N/A GLN 69.A N GLU 112.A O no hydrogen 2.972 N/A THR 71.A N ALA 114.A O no hydrogen 2.989 N/A THR 71.A OG1 ALA 114.A O no hydrogen 3.316 N/A ILE 73.A N HIS 116.A O no hydrogen 2.728 N/A TYR 78.A OH PHE 117.A O no hydrogen 2.910 N/A ASP 80.A N ALA 77.A O no hydrogen 3.250 N/A VAL 81.A N ALA 77.A O no hydrogen 3.260 N/A ILE 82.A N TYR 78.A O no hydrogen 2.877 N/A GLU 83.A N GLU 79.A O no hydrogen 2.970 N/A ALA 84.A N ASP 80.A O no hydrogen 2.875 N/A HIS 85.A N VAL 81.A O no hydrogen 3.019 N/A HIS 85.A ND1 VAL 81.A O no hydrogen 3.025 N/A LYS 86.A N GLU 83.A O no hydrogen 3.196 N/A LYS 86.A NZ GLU 83.A OE2 no hydrogen 3.230 N/A LYS 91.A N ASP 88.A O no hydrogen 3.210 N/A ILE 92.A N PRO 89.A O no hydrogen 2.942 N/A MET 93.A N PRO 89.A O no hydrogen 2.891 N/A GLN 95.A NE2 ILE 92.A O no hydrogen 2.868 N/A ILE 96.A N ILE 92.A O no hydrogen 3.249 N/A ARG 97.A N MET 93.A O no hydrogen 2.828 N/A ARG 97.A NH1 THR 20.A O no hydrogen 2.731 N/A ARG 97.A NH2 THR 20.A O no hydrogen 3.423 N/A ARG 97.A NH2 GLU 90.A OE2 no hydrogen 3.217 N/A GLU 98.A N PRO 94.A O no hydrogen 2.858 N/A LYS 99.A N GLN 95.A O no hydrogen 2.982 N/A VAL 100.A N ILE 96.A O no hydrogen 2.981 N/A ASN 101.A N ARG 97.A O no hydrogen 2.896 N/A GLU 102.A N GLU 98.A O no hydrogen 3.106 N/A VAL 103.A N LYS 99.A O no hydrogen 3.160 N/A ALA 104.A N VAL 100.A O no hydrogen 2.802 N/A LYS 105.A N ASN 101.A O no hydrogen 3.064 N/A LYS 105.A N GLU 102.A O no hydrogen 3.201 N/A LEU 107.A N VAL 103.A O no hydrogen 3.141 N/A GLU 112.A N LYS 109.A O no hydrogen 2.893 N/A GLY 113.A N LYS 109.A O no hydrogen 3.130 N/A ALA 114.A N GLN 69.A O no hydrogen 3.345 N/A HIS 116.A N THR 71.A O no hydrogen 2.963 N/A HIS 116.A NE2 GLY 9.A O no hydrogen 2.704 N/A ASP 122.A N HIS 119.A O no hydrogen 2.947 N/A LEU 123.A N PRO 120.A O no hydrogen 3.162 N/A GLY 124.A N GLU 121.A O no hydrogen 3.272 N/A GLU 126.A N VAL 59.A O no hydrogen 2.931 N/A THR 128.A N VAL 61.A O no hydrogen 3.011 N/A THR 128.A OG1 GLU 133.A OE2 no hydrogen 3.309 N/A ASP 130.A N THR 128.A OG1 no hydrogen 3.127 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 3.245 N/A ARG 132.A NE ASP 161.A OD2 no hydrogen 2.506 N/A ARG 132.A NH2 ASP 161.A OD2 no hydrogen 3.174 N/A ALA 134.A N ASP 130.A O no hydrogen 3.111 N/A VAL 135.A N ASP 131.A O no hydrogen 3.107 N/A ALA 138.A N VAL 135.A O no hydrogen 2.787 N/A ASP 139.A N LYS 2.A O no hydrogen 2.809 N/A PHE 140.A N LYS 2.A O no hydrogen 3.283 N/A ILE 141.A N ILE 167.A O no hydrogen 2.700 N/A MET 142.A N ALA 4.A O no hydrogen 2.841 N/A THR 143.A N THR 169.A O no hydrogen 2.938 N/A THR 143.A OG1 THR 169.A O no hydrogen 2.729 N/A TRP 144.A N LEU 6.A O no hydrogen 2.910 N/A GLN 151.A NE2 PRO 146.A O no hydrogen 3.069 N/A ILE 154.A N MET 150.A O no hydrogen 2.768 N/A ILE 155.A N GLN 151.A O no hydrogen 2.725 N/A ASN 156.A N PRO 152.A O no hydrogen 2.887 N/A LYS 157.A N ILE 154.A O no hydrogen 3.377 N/A PHE 158.A N ILE 155.A O no hydrogen 2.917 N/A ASP 161.A N PHE 158.A O no hydrogen 2.828 N/A ILE 162.A N ILE 159.A O no hydrogen 3.381 N/A LYS 163.A NZ ASP 137.A O no hydrogen 3.524 N/A GLY 165.A N THR 196.A OG1 no hydrogen 3.077 N/A ALA 166.A N LYS 163.A O no hydrogen 3.035 N/A ILE 167.A N ASP 139.A O no hydrogen 2.781 N/A VAL 168.A N ASN 198.A O no hydrogen 2.843 N/A THR 169.A N ILE 141.A O no hydrogen 2.878 N/A THR 169.A OG1 ILE 141.A O no hydrogen 3.527 N/A HIS 170.A N THR 200.A O no hydrogen 3.257 N/A HIS 170.A ND1 ALA 171.A O no hydrogen 2.853 N/A HIS 170.A NE2 THR 176.A OG1 no hydrogen 2.862 N/A THR 173.A OG1 PHE 145.A O no hydrogen 3.214 N/A THR 176.A OG1 HIS 170.A NE2 no hydrogen 2.862 N/A PHE 179.A N PRO 175.A O no hydrogen 3.114 N/A TYR 180.A N THR 176.A O no hydrogen 2.818 N/A LYS 181.A N THR 177.A O no hydrogen 2.928 N/A ILE 182.A N PHE 179.A O no hydrogen 3.161 N/A GLU 184.A N TYR 180.A O no hydrogen 2.910 N/A GLN 185.A N LYS 181.A O no hydrogen 3.056 N/A GLN 185.A N ILE 182.A O no hydrogen 3.237 N/A LYS 186.A N PHE 183.A O no hydrogen 2.952 N/A HIS 187.A N GLU 184.A O no hydrogen 3.188 N/A GLY 188.A N GLU 195.A OE1 no hydrogen 3.061 N/A VAL 191.A N ASP 189.A OD1 no hydrogen 3.378 N/A THR 192.A N ASP 189.A OD1 no hydrogen 3.209 N/A LYS 193.A N ASP 189.A O no hydrogen 3.044 N/A THR 196.A N LYS 193.A O no hydrogen 3.066 N/A THR 196.A OG1 LYS 193.A O no hydrogen 2.772 N/A LEU 197.A N PRO 194.A O no hydrogen 3.022 N/A ASN 198.A N ALA 166.A O no hydrogen 2.860 N/A ASN 198.A ND2 GLY 165.A O no hydrogen 2.938 N/A THR 200.A N VAL 168.A O no hydrogen 3.020 N/A THR 200.A OG1 ALA 217.A O no hydrogen 2.681 N/A SER 201.A N THR 200.A OG1 no hydrogen 2.512 N/A SER 201.A OG TYR 215.A O no hydrogen 2.659 N/A TYR 202.A N HIS 170.A O no hydrogen 2.918 N/A HIS 203.A N TYR 215.A O no hydrogen 3.156 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.689 N/A MET 210.A N VAL 207.A O no hydrogen 2.997 N/A LYS 211.A N VAL 207.A O no hydrogen 3.388 N/A GLN 213.A NE2 PRO 204.A O no hydrogen 2.897 N/A VAL 214.A N ASN 239.A O no hydrogen 3.140 N/A TYR 215.A N HIS 203.A O no hydrogen 2.680 N/A ILE 216.A N TYR 241.A O no hydrogen 2.638 N/A ALA 217.A N SER 201.A OG no hydrogen 2.915 N/A GLU 218.A N LEU 243.A O no hydrogen 2.732 N/A SER 222.A N ASN 198.A OD1 no hydrogen 2.868 N/A SER 222.A OG ASN 198.A OD1 no hydrogen 3.281 N/A ALA 225.A N SER 222.A OG no hydrogen 3.214 N/A ILE 226.A N SER 222.A O no hydrogen 3.020 N/A GLU 227.A N GLU 223.A O no hydrogen 2.924 N/A THR 228.A N ASP 224.A O no hydrogen 2.829 N/A THR 228.A OG1 ASP 224.A O no hydrogen 2.957 N/A LEU 229.A N ALA 225.A O no hydrogen 2.944 N/A PHE 230.A N ILE 226.A O no hydrogen 2.704 N/A GLU 231.A N GLU 227.A O no hydrogen 2.929 N/A LEU 232.A N THR 228.A O no hydrogen 2.965 N/A GLY 233.A N LEU 229.A O no hydrogen 2.728 N/A GLN 234.A N PHE 230.A O no hydrogen 2.888 N/A LYS 235.A N GLU 231.A O no hydrogen 3.179 N/A LYS 235.A NZ ALA 54.A O no hydrogen 3.436 N/A ALA 236.A N LEU 232.A O no hydrogen 2.869 N/A ARG 237.A N GLY 233.A O no hydrogen 2.687 N/A ARG 237.A NE GLU 49.A OE1 no hydrogen 2.607 N/A ARG 237.A NE GLU 49.A OE2 no hydrogen 3.306 N/A ARG 237.A NH1 LYS 211.A O no hydrogen 2.795 N/A ARG 237.A NH1 GLN 213.A O no hydrogen 2.948 N/A ARG 237.A NH2 GLU 49.A OE1 no hydrogen 3.384 N/A ARG 237.A NH2 GLU 49.A OE2 no hydrogen 2.652 N/A ARG 237.A NH2 PRO 208.A O no hydrogen 2.779 N/A ARG 237.A NH2 LYS 211.A O no hydrogen 3.267 N/A GLY 238.A N GLN 234.A O no hydrogen 2.938 N/A ASN 239.A ND2 GLY 212.A O no hydrogen 3.181 N/A TYR 241.A N VAL 214.A O no hydrogen 2.895 N/A ARG 242.A NH1 GLU 218.A OE2 no hydrogen 3.037 N/A ARG 242.A NH1 GLU 223.A OE2 no hydrogen 3.293 N/A ARG 242.A NH2 GLU 223.A OE2 no hydrogen 3.361 N/A LEU 243.A N ILE 216.A O no hydrogen 2.930 N/A ALA 245.A N GLU 218.A O no hydrogen 2.755 N/A GLU 246.A N GLU 246.A OE2 no hydrogen 2.720 N/A LEU 247.A N PRO 244.A O no hydrogen 2.740 N/A LEU 248.A N ALA 245.A O no hydrogen 3.183 N/A VAL 251.A N LEU 247.A O no hydrogen 2.868 N/A VAL 251.A N LEU 248.A O no hydrogen 3.143 N/A CYS 252.A N LEU 248.A O no hydrogen 2.810 N/A ASP 253.A N GLY 249.A O no hydrogen 2.838 N/A CYS 255.A SG GLY 249.A O no hydrogen 3.546 N/A CYS 255.A SG PRO 250.A O no hydrogen 3.771 N/A SER 256.A N ASP 253.A O no hydrogen 2.823 N/A SER 256.A OG ASP 253.A O no hydrogen 3.228 N/A THR 259.A N CYS 255.A O no hydrogen 2.964 N/A THR 259.A OG1 PRO 250.A O no hydrogen 2.623 N/A THR 259.A OG1 CYS 255.A O no hydrogen 3.108 N/A ALA 260.A N SER 256.A O no hydrogen 2.861 N/A ILE 261.A N ALA 257.A O no hydrogen 3.206 N/A THR 262.A N LEU 258.A O no hydrogen 2.944 N/A THR 262.A OG1 LEU 258.A O no hydrogen 2.728 N/A TYR 263.A N THR 259.A O no hydrogen 2.878 N/A ALA 264.A N ALA 260.A O no hydrogen 2.979 N/A GLY 265.A N ILE 261.A O no hydrogen 2.850 N/A ILE 266.A N THR 262.A O no hydrogen 2.755 N/A LEU 267.A N TYR 263.A O no hydrogen 2.920 N/A SER 268.A N ALA 264.A O no hydrogen 2.965 N/A SER 268.A OG ALA 264.A O no hydrogen 2.870 N/A TYR 269.A N GLY 265.A O no hydrogen 2.889 N/A ARG 270.A N ILE 266.A O no hydrogen 2.909 N/A ARG 270.A NE ASP 271.A OD2 no hydrogen 3.084 N/A ARG 270.A NH2 ASP 271.A OD2 no hydrogen 3.249 N/A ASP 271.A N LEU 267.A O no hydrogen 3.119 N/A SER 272.A N SER 268.A O no hydrogen 2.891 N/A SER 272.A OG TYR 269.A O no hydrogen 3.089 N/A SER 272.A OG SER 328.A OG no hydrogen 3.347 N/A VAL 273.A N TYR 269.A O no hydrogen 2.995 N/A THR 274.A N ARG 270.A O no hydrogen 2.826 N/A THR 274.A OG1 ARG 270.A O no hydrogen 3.311 N/A GLN 275.A N ASP 271.A O no hydrogen 2.852 N/A VAL 276.A N SER 272.A O no hydrogen 3.300 N/A LEU 277.A N VAL 273.A O no hydrogen 2.948 N/A PHE 283.A N PRO 280.A O no hydrogen 2.917 N/A GLN 285.A N ALA 281.A O no hydrogen 2.872 N/A MET 286.A N SER 282.A O no hydrogen 3.035 N/A MET 287.A N PHE 283.A O no hydrogen 3.422 N/A ALA 288.A N ALA 284.A O no hydrogen 2.850 N/A LYS 289.A N GLN 285.A O no hydrogen 2.743 N/A LYS 289.A NZ GLU 293.A OE1 no hydrogen 3.157 N/A LYS 289.A NZ GLU 293.A OE2 no hydrogen 2.700 N/A GLU 290.A N MET 286.A O no hydrogen 3.352 N/A SER 291.A N MET 287.A O no hydrogen 3.118 N/A LEU 292.A N ALA 288.A O no hydrogen 2.993 N/A GLU 293.A N LYS 289.A O no hydrogen 2.872 N/A GLN 294.A N GLU 290.A O no hydrogen 3.033 N/A GLN 294.A NE2 GLU 290.A OE2 no hydrogen 3.264 N/A ILE 295.A N SER 291.A O no hydrogen 3.073 N/A THR 296.A N LEU 292.A O no hydrogen 3.006 N/A THR 296.A OG1 LEU 292.A O no hydrogen 2.634 N/A ALA 297.A N GLU 293.A O no hydrogen 2.920 N/A LEU 298.A N GLN 294.A O no hydrogen 2.938 N/A MET 299.A N ILE 295.A O no hydrogen 3.092 N/A GLU 300.A N THR 296.A O no hydrogen 3.110 N/A LYS 301.A N ALA 297.A O no hydrogen 2.774 N/A VAL 302.A N LEU 298.A O no hydrogen 2.867 N/A GLY 303.A N MET 299.A O no hydrogen 2.863 N/A ASP 305.A N ASP 305.A OD1 no hydrogen 2.642 N/A LYS 306.A N GLY 303.A O no hydrogen 2.976 N/A LYS 306.A NZ ASP 305.A OD2 no hydrogen 3.248 N/A GLU 308.A N GLU 308.A OE1 no hydrogen 2.808 N/A ASN 310.A N MET 307.A O no hydrogen 2.784 N/A ASN 310.A ND2 LYS 306.A O no hydrogen 2.970 N/A LEU 311.A N MET 307.A O no hydrogen 2.730 N/A GLY 314.A N ASP 312.A OD1 no hydrogen 2.793 N/A ALA 315.A N ASP 312.A O no hydrogen 2.638 N/A LEU 316.A N PRO 313.A O no hydrogen 3.340 N/A LEU 317.A N GLY 314.A O no hydrogen 3.306 N/A THR 319.A OG1 LEU 316.A O no hydrogen 3.335 N/A ALA 320.A N LEU 316.A O no hydrogen 2.978 N/A SER 322.A N THR 319.A O no hydrogen 3.143 N/A SER 322.A OG THR 319.A O no hydrogen 3.153 N/A MET 323.A N ALA 320.A O no hydrogen 2.819 N/A ASN 324.A N ASP 321.A O no hydrogen 3.335 N/A PHE 325.A N MET 323.A O no hydrogen 2.855 N/A SER 328.A OG SER 272.A OG no hydrogen 3.347 N/A ALA 329.A N GLY 326.A O no hydrogen 2.915 N/A GLU 330.A N ALA 327.A O no hydrogen 3.079 N/A ILE 331.A N SER 328.A O no hydrogen 3.129 N/A LEU 332.A N SER 328.A O no hydrogen 2.896 N/A VAL 335.A N ILE 331.A O no hydrogen 3.197 N/A PHE 336.A N LEU 332.A O no hydrogen 2.675 N/A GLU 337.A N PRO 333.A O no hydrogen 3.092 N/A ILE 338.A N THR 334.A O no hydrogen 3.233 N/A LEU 339.A N VAL 335.A O no hydrogen 2.976 N/A GLU 340.A N PHE 336.A O no hydrogen 2.951 N/A LYS 341.A N GLU 337.A O no hydrogen 3.079 N/A ARG 342.A N LEU 339.A O no hydrogen 2.918 N/A LYS 343.A NZ GLU 340.A OE2 no hydrogen 2.577 N/A LYS 344.A N ASP 312.A OD1 no hydrogen 2.958 N/A