Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2waj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N VAL 15.A O no hydrogen 2.931 N/A TYR 4.A OH TYR 19.A O no hydrogen 2.577 N/A SER 5.A OG THR 14.A OG1 no hydrogen 2.288 N/A VAL 6.A N PHE 13.A O no hydrogen 2.821 N/A VAL 8.A N SER 11.A O no hydrogen 2.583 N/A SER 11.A N VAL 8.A O no hydrogen 3.247 N/A THR 12.A OG1 GLU 7.A OE1 no hydrogen 3.496 N/A THR 12.A OG1 GLU 7.A OE2 no hydrogen 2.540 N/A PHE 13.A N VAL 6.A O no hydrogen 2.680 N/A THR 14.A N TYR 96.A OH no hydrogen 2.965 N/A THR 14.A OG1 SER 5.A OG no hydrogen 2.288 N/A VAL 15.A N TYR 4.A O no hydrogen 2.874 N/A LYS 17.A N GLN 2.A O no hydrogen 2.973 N/A LYS 17.A NZ ASN 1.A O no hydrogen 2.737 N/A ARG 18.A NE ASP 36.A OD1 no hydrogen 3.100 N/A ARG 18.A NE ASP 36.A OD2 no hydrogen 3.235 N/A ARG 18.A NH2 ASP 36.A OD1 no hydrogen 3.381 N/A ARG 18.A NH2 ASP 36.A OD2 no hydrogen 2.763 N/A TYR 19.A N LEU 16.A O no hydrogen 3.017 N/A GLN 20.A N TYR 35.A O no hydrogen 2.741 N/A GLN 20.A NE2 LYS 17.A O no hydrogen 2.657 N/A GLN 20.A NE2 TYR 19.A O no hydrogen 3.110 N/A LYS 23.A N ALA 33.A O no hydrogen 2.712 N/A LYS 23.A NZ LEU 22.A O no hydrogen 3.345 N/A ILE 25.A N VAL 31.A O no hydrogen 2.728 N/A GLY 26.A N VAL 31.A O no hydrogen 2.865 N/A VAL 31.A N GLY 26.A O no hydrogen 2.901 N/A CYS 32.A N.A ILE 45.A O no hydrogen 2.784 N/A CYS 32.A N.B ILE 45.A O no hydrogen 2.814 N/A CYS 32.A SG.B ILE 45.A O no hydrogen 3.697 N/A ALA 33.A N LYS 23.A O no hydrogen 2.585 N/A ALA 34.A N VAL 43.A O no hydrogen 2.938 N/A TYR 35.A N GLN 20.A O no hydrogen 2.872 N/A TYR 35.A OH ASP 40.A OD1 no hydrogen 2.977 N/A ASP 36.A N ARG 41.A O.A no hydrogen 2.812 N/A ASP 36.A N ARG 41.A O.B no hydrogen 2.705 N/A ALA 37.A N ARG 18.A O no hydrogen 2.797 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 2.731 N/A LEU 39.A N ASP 36.A OD1 no hydrogen 3.110 N/A ARG 41.A N.A ASP 36.A O no hydrogen 3.231 N/A ARG 41.A N.B ASP 36.A O no hydrogen 3.198 N/A ARG 41.A NH2.B ASN 42.A O no hydrogen 2.739 N/A VAL 43.A N ALA 34.A O no hydrogen 2.901 N/A ALA 44.A N MET 99.A O no hydrogen 2.719 N/A ILE 45.A N CYS 32.A O.A no hydrogen 2.868 N/A ILE 45.A N CYS 32.A O.B no hydrogen 2.795 N/A LYS 46.A N LEU 97.A O no hydrogen 2.788 N/A LYS 47.A N ILE 30.A O no hydrogen 3.155 N/A LYS 47.A NZ THR 12.A O no hydrogen 2.964 N/A LEU 48.A N VAL 95.A O no hydrogen 2.796 N/A ARG 50.A NH2 GLN 93.A OE1 no hydrogen 2.314 N/A GLN 53.A N ARG 50.A O no hydrogen 2.730 N/A GLN 53.A NE2 SER 49.A O no hydrogen 3.047 N/A GLN 53.A NE2 ARG 50.A O no hydrogen 3.152 N/A HIS 57.A N ASN 54.A OD1 no hydrogen 2.829 N/A ALA 58.A N ASN 54.A O no hydrogen 2.896 N/A LYS 59.A N GLN 55.A O no hydrogen 2.767 N/A LYS 59.A NZ ASP 329.A O no hydrogen 2.918 N/A LYS 59.A NZ ARG 331.A O no hydrogen 3.217 N/A ARG 60.A N THR 56.A O no hydrogen 3.288 N/A ALA 61.A N HIS 57.A O no hydrogen 2.935 N/A TYR 62.A N ALA 58.A O no hydrogen 2.941 N/A TYR 62.A OH ASP 325.A OD2 no hydrogen 3.008 N/A ARG 63.A N LYS 59.A O no hydrogen 3.016 N/A ARG 63.A NH2 ASP 329.A OD1 no hydrogen 3.099 N/A GLU 64.A N ARG 60.A O no hydrogen 2.991 N/A LEU 65.A N ALA 61.A O no hydrogen 2.996 N/A VAL 66.A N TYR 62.A O no hydrogen 3.088 N/A LEU 67.A N ARG 63.A O no hydrogen 2.803 N/A MET 68.A N.A GLU 64.A O no hydrogen 3.233 N/A MET 68.A N.B LEU 65.A O no hydrogen 3.310 N/A LYS 69.A N VAL 66.A O no hydrogen 2.910 N/A LYS 69.A NZ ASN 348.A OD1 no hydrogen 3.325 N/A CYS 70.A SG VAL 66.A O no hydrogen 3.681 N/A LYS 74.A NZ GLU 317.A OE2 no hydrogen 2.937 N/A ASN 75.A ND2 GLN 125.A OE1 no hydrogen 3.167 N/A ASN 75.A ND2 LEU 156.A O no hydrogen 2.693 N/A ILE 76.A N HIS 73.A O no hydrogen 3.130 N/A ILE 77.A N ILE 158.A O no hydrogen 2.738 N/A LEU 80.A N VAL 98.A O no hydrogen 2.691 N/A ASN 81.A N VAL 98.A O no hydrogen 3.376 N/A ASN 81.A ND2 TYR 19.A OH no hydrogen 3.047 N/A PHE 83.A N TYR 96.A O no hydrogen 3.070 N/A THR 84.A OG1 ASP 94.A O no hydrogen 2.732 N/A LYS 87.A NZ.A ASN 1.A OD1 no hydrogen 2.907 N/A THR 88.A OG1 GLU 91.A OE2 no hydrogen 2.972 N/A GLU 91.A N THR 88.A OG1 no hydrogen 3.144 N/A PHE 92.A N LEU 89.A O no hydrogen 3.239 N/A GLN 93.A N GLN 86.A OE1 no hydrogen 2.960 N/A ASP 94.A N GLN 86.A OE1 no hydrogen 2.854 N/A VAL 95.A N LEU 48.A O no hydrogen 3.115 N/A TYR 96.A N PHE 83.A O no hydrogen 2.825 N/A LEU 97.A N LYS 46.A O no hydrogen 2.728 N/A VAL 98.A N ASN 81.A O no hydrogen 2.905 N/A MET 99.A N ALA 44.A O no hydrogen 2.959 N/A LEU 101.A N ASN 42.A O no hydrogen 3.158 N/A ASP 103.A N VAL 150.A O no hydrogen 2.871 N/A ALA 104.A N VAL 150.A O no hydrogen 3.125 N/A ASN 105.A N GLN 108.A OE1 no hydrogen 3.453 N/A LEU 106.A N PRO 145.A O no hydrogen 3.255 N/A LEU 106.A N ILE 148.A O no hydrogen 2.813 N/A GLN 108.A N ASN 105.A OD1 no hydrogen 3.237 N/A ILE 110.A N LEU 106.A O no hydrogen 2.943 N/A MET 112.A N VAL 109.A O no hydrogen 3.021 N/A HIS 116.A ND1 TYR 308.A OH no hydrogen 2.834 N/A HIS 116.A NE2 PRO 269.A O no hydrogen 3.280 N/A ARG 118.A N ASP 115.A OD1 no hydrogen 2.818 N/A ARG 118.A NE ASP 115.A OD2 no hydrogen 3.286 N/A MET 119.A N ASP 115.A O no hydrogen 3.101 N/A SER 120.A N HIS 116.A O no hydrogen 2.881 N/A SER 120.A OG HIS 116.A O no hydrogen 2.738 N/A SER 120.A OG GLU 117.A O.A no hydrogen 3.425 N/A SER 120.A OG GLU 117.A O.B no hydrogen 3.391 N/A TYR 121.A N GLU 117.A O.A no hydrogen 3.037 N/A TYR 121.A N GLU 117.A O.B no hydrogen 3.022 N/A LEU 122.A N ARG 118.A O no hydrogen 2.857 N/A LEU 123.A N MET 119.A O no hydrogen 3.144 N/A TYR 124.A N SER 120.A O no hydrogen 2.896 N/A TYR 124.A OH GLU 317.A OE1 no hydrogen 2.597 N/A GLN 125.A N TYR 121.A O no hydrogen 3.149 N/A GLN 125.A N LEU 122.A O no hydrogen 3.003 N/A GLN 125.A NE2 TYR 121.A O no hydrogen 3.234 N/A GLN 125.A NE2 CYS 154.A O.A no hydrogen 2.781 N/A GLN 125.A NE2 CYS 154.A O.B no hydrogen 2.802 N/A MET 126.A N LEU 122.A O no hydrogen 2.999 N/A LEU 127.A N LEU 123.A O no hydrogen 3.121 N/A CYS 128.A N TYR 124.A O no hydrogen 2.986 N/A CYS 128.A SG TYR 124.A O no hydrogen 3.337 N/A CYS 128.A SG GLU 317.A O no hydrogen 3.588 N/A GLY 129.A N GLN 125.A O no hydrogen 2.976 N/A ILE 130.A N MET 126.A O no hydrogen 2.999 N/A LYS 131.A N LEU 127.A O no hydrogen 2.781 N/A HIS 132.A N CYS 128.A O no hydrogen 2.919 N/A HIS 132.A NE2 PRO 321.A O no hydrogen 2.747 N/A LEU 133.A N GLY 129.A O no hydrogen 2.882 N/A HIS 134.A N ILE 130.A O no hydrogen 2.844 N/A HIS 134.A NE2 ASP 195.A OD2 no hydrogen 2.592 N/A SER 135.A N LYS 131.A O no hydrogen 2.887 N/A SER 135.A OG HIS 132.A O no hydrogen 2.676 N/A ALA 136.A N HIS 132.A O no hydrogen 3.153 N/A ALA 136.A N LEU 133.A O no hydrogen 2.919 N/A GLY 137.A N HIS 134.A O no hydrogen 2.969 N/A ILE 138.A N LEU 133.A O no hydrogen 2.873 N/A HIS 140.A N ASP 195.A OD2 no hydrogen 3.024 N/A HIS 140.A NE2 ASP 160.A OD1 no hydrogen 2.672 N/A ARG 141.A N ASP 195.A OD1 no hydrogen 2.787 N/A ARG 141.A NH2 ALA 164.A O no hydrogen 2.539 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.102 N/A LYS 144.A NZ ASP 142.A OD1 no hydrogen 3.363 N/A LYS 144.A NZ ASP 142.A OD2 no hydrogen 3.013 N/A LYS 144.A NZ THR 176.A O no hydrogen 3.054 N/A ASN 147.A N LYS 144.A O no hydrogen 3.019 N/A ILE 148.A N PRO 145.A O no hydrogen 3.204 N/A VAL 149.A N LYS 157.A O no hydrogen 2.962 N/A VAL 150.A N ALA 104.A O no hydrogen 2.758 N/A LYS 151.A N THR 155.A O no hydrogen 2.926 N/A SER 152.A N ASP 103.A OD2 no hydrogen 2.528 N/A SER 152.A OG ASP 103.A OD2 no hydrogen 3.552 N/A CYS 154.A N.A LYS 151.A O no hydrogen 2.923 N/A CYS 154.A N.B LYS 151.A O no hydrogen 2.947 N/A CYS 154.A SG.B ARG 118.A O no hydrogen 3.664 N/A THR 155.A N ASP 153.A OD1 no hydrogen 2.957 N/A THR 155.A OG1 ASP 153.A OD1 no hydrogen 2.734 N/A LEU 156.A N GLN 125.A OE1 no hydrogen 2.890 N/A LYS 157.A N VAL 149.A O no hydrogen 2.966 N/A LYS 157.A NZ LYS 74.A O no hydrogen 2.791 N/A ILE 158.A N ASN 75.A O no hydrogen 2.842 N/A LEU 159.A N ASN 147.A O no hydrogen 2.919 N/A PHE 161.A N GLU 64.A OE2 no hydrogen 2.918 N/A GLY 162.A N ASP 160.A OD2 no hydrogen 3.118 N/A LEU 163.A N HIS 140.A O no hydrogen 2.940 N/A SER 167.A OG SER 167.A O no hydrogen 2.506 N/A TYR 179.A OH GLU 205.A OE1 no hydrogen 2.563 N/A ARG 180.A N ARG 177.A O no hydrogen 3.142 N/A ARG 180.A NE ASP 142.A OD1 no hydrogen 3.025 N/A ARG 180.A NH1 TYR 218.A OH no hydrogen 2.900 N/A ARG 180.A NH2 ASP 142.A OD1 no hydrogen 3.549 N/A ARG 180.A NH2 ASP 142.A OD2 no hydrogen 2.969 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.688 N/A VAL 184.A N ALA 181.A O no hydrogen 2.960 N/A ILE 185.A N ALA 181.A O no hydrogen 2.932 N/A LEU 186.A N PRO 182.A O no hydrogen 2.679 N/A GLY 187.A N VAL 184.A O no hydrogen 3.224 N/A MET 188.A N GLU 183.A O no hydrogen 2.625 N/A LYS 191.A NZ PRO 294.A O no hydrogen 3.526 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.808 N/A ASN 193.A ND2 PRO 294.A O no hydrogen 2.946 N/A ASN 193.A ND2 ARG 297.A O no hydrogen 3.255 N/A VAL 194.A N LYS 191.A O no hydrogen 3.101 N/A ASP 195.A N GLU 192.A O no hydrogen 3.265 N/A SER 198.A OG TYR 179.A O no hydrogen 2.715 N/A VAL 199.A N ASP 195.A O no hydrogen 3.201 N/A GLY 200.A N ILE 196.A O no hydrogen 3.075 N/A CYS 201.A N TRP 197.A O no hydrogen 3.143 N/A CYS 201.A SG TYR 178.A O no hydrogen 3.702 N/A CYS 201.A SG TRP 197.A O no hydrogen 3.744 N/A ILE 202.A N SER 198.A O no hydrogen 3.082 N/A MET 203.A N VAL 199.A O no hydrogen 2.829 N/A GLY 204.A N GLY 200.A O no hydrogen 2.824 N/A GLU 205.A N CYS 201.A O no hydrogen 2.959 N/A MET 206.A N ILE 202.A O no hydrogen 2.898 N/A VAL 207.A N MET 203.A O no hydrogen 3.252 N/A ARG 208.A N GLY 204.A O no hydrogen 2.827 N/A ARG 208.A NE LEU 262.A O no hydrogen 3.383 N/A ARG 208.A NH1 GLN 228.A OE1 no hydrogen 2.608 N/A ARG 208.A NH2 GLN 228.A OE1 no hydrogen 3.344 N/A ARG 208.A NH2 LEU 262.A O no hydrogen 2.842 N/A HIS 209.A N GLU 205.A O no hydrogen 2.626 N/A HIS 209.A ND1 ILE 110.A O no hydrogen 2.608 N/A ARG 216.A N ASP 220.A OD2 no hydrogen 3.289 N/A ARG 216.A NE ASP 220.A OD2 no hydrogen 2.610 N/A ARG 216.A NH2 ASP 220.A OD1 no hydrogen 2.720 N/A ARG 216.A NH2 ASP 220.A OD2 no hydrogen 2.934 N/A ILE 219.A N ASP 217.A OD2 no hydrogen 2.921 N/A GLN 221.A N ASP 217.A O no hydrogen 3.107 N/A GLN 221.A NE2 ARG 177.A O no hydrogen 2.718 N/A TRP 222.A N TYR 218.A O no hydrogen 2.848 N/A ASN 223.A N ILE 219.A O no hydrogen 3.204 N/A LYS 224.A N ASP 220.A O no hydrogen 2.953 N/A VAL 225.A N GLN 221.A O no hydrogen 3.057 N/A VAL 225.A N TRP 222.A O no hydrogen 3.083 N/A ILE 226.A N TRP 222.A O no hydrogen 3.084 N/A GLU 227.A N ASN 223.A O no hydrogen 3.031 N/A GLN 228.A N VAL 225.A O no hydrogen 3.376 N/A GLN 228.A NE2 LEU 212.A O no hydrogen 3.139 N/A GLN 228.A NE2 LYS 224.A O no hydrogen 2.810 N/A LEU 229.A N VAL 225.A O no hydrogen 2.950 N/A THR 231.A N TYR 254.A O no hydrogen 2.913 N/A THR 231.A OG1 TYR 254.A O no hydrogen 3.541 N/A PHE 236.A N CYS 233.A O no hydrogen 2.837 N/A LYS 238.A N PRO 234.A O no hydrogen 3.277 N/A LYS 239.A N PHE 236.A O no hydrogen 3.144 N/A LYS 239.A NZ ASP 293.A OD1 no hydrogen 2.688 N/A LEU 240.A N MET 237.A O no hydrogen 2.891 N/A GLN 241.A NE2 GLY 187.A O no hydrogen 3.259 N/A ARG 245.A N GLN 241.A O no hydrogen 2.774 N/A ASN 246.A N PRO 242.A O no hydrogen 3.245 N/A VAL 248.A N VAL 244.A O no hydrogen 2.980 N/A GLU 249.A N ARG 245.A O no hydrogen 3.144 N/A ASN 250.A N TYR 247.A O no hydrogen 3.291 N/A ASN 250.A ND2 ASN 246.A O no hydrogen 2.534 N/A TYR 254.A N THR 231.A OG1 no hydrogen 2.774 N/A LEU 257.A N GLN 228.A O no hydrogen 2.950 N/A LYS 261.A N THR 258.A OG1 no hydrogen 3.397 N/A LEU 262.A N THR 258.A O no hydrogen 2.849 N/A PHE 263.A N PHE 259.A O no hydrogen 2.907 N/A LEU 267.A N PRO 264.A O no hydrogen 2.999 N/A PHE 268.A N ASP 265.A O no hydrogen 2.870 N/A ASP 271.A N ASP 271.A OD1 no hydrogen 2.729 N/A ASN 275.A N SER 272.A OG no hydrogen 3.235 N/A ASN 275.A ND2 ASP 271.A OD1 no hydrogen 2.794 N/A LYS 276.A N SER 272.A O no hydrogen 2.855 N/A LEU 277.A N GLU 273.A O no hydrogen 2.876 N/A LYS 278.A N HIS 274.A O no hydrogen 2.991 N/A LYS 278.A NZ GLN 281.A OE1 no hydrogen 2.997 N/A ALA 279.A N ASN 275.A O no hydrogen 2.792 N/A SER 280.A N LYS 276.A O no hydrogen 3.372 N/A SER 280.A OG LYS 276.A O no hydrogen 3.455 N/A GLN 281.A N LEU 277.A O no hydrogen 3.102 N/A ALA 282.A N LYS 278.A O no hydrogen 2.740 N/A ARG 283.A N ALA 279.A O no hydrogen 2.947 N/A ARG 283.A NE PHE 263.A O no hydrogen 3.149 N/A ASP 284.A N SER 280.A O no hydrogen 3.057 N/A LEU 285.A N GLN 281.A O no hydrogen 3.095 N/A LEU 286.A N ALA 282.A O no hydrogen 2.951 N/A SER 287.A N ARG 283.A O no hydrogen 2.888 N/A SER 287.A OG ASP 284.A O no hydrogen 2.712 N/A LYS 288.A N LEU 285.A O no hydrogen 3.043 N/A LYS 288.A NZ ASP 284.A OD1 no hydrogen 2.917 N/A LYS 288.A NZ ASP 284.A OD2 no hydrogen 3.389 N/A MET 289.A N LEU 285.A O no hydrogen 3.070 N/A MET 289.A N LEU 286.A O no hydrogen 3.271 N/A LEU 290.A N LEU 286.A O no hydrogen 2.932 N/A ALA 295.A N ASP 293.A OD1 no hydrogen 3.335 N/A LYS 296.A N ASP 293.A O no hydrogen 2.997 N/A LYS 296.A NZ GLU 235.A OE1 no hydrogen 2.570 N/A ARG 297.A N ASP 293.A O no hydrogen 3.063 N/A ARG 297.A NE VAL 291.A O no hydrogen 2.857 N/A ARG 297.A NH1 GLU 183.A OE1 no hydrogen 3.540 N/A ARG 297.A NH1 GLU 183.A OE2 no hydrogen 2.765 N/A ARG 297.A NH1 ASN 193.A O no hydrogen 3.119 N/A ARG 297.A NH2 GLU 183.A OE1 no hydrogen 2.884 N/A ARG 297.A NH2 VAL 291.A O no hydrogen 3.262 N/A ARG 297.A NH2 ILE 292.A O no hydrogen 2.948 N/A ILE 298.A N LYS 288.A O no hydrogen 2.987 N/A ASP 302.A N SER 299.A OG no hydrogen 3.102 N/A ALA 303.A N SER 299.A O no hydrogen 2.880 N/A LEU 304.A N VAL 300.A O no hydrogen 3.011 N/A GLN 305.A N ASP 302.A O no hydrogen 3.115 N/A HIS 306.A N ALA 303.A O no hydrogen 3.204 N/A HIS 306.A NE2 ASP 284.A OD1 no hydrogen 2.576 N/A TYR 308.A N HIS 306.A ND1 no hydrogen 3.099 N/A TYR 308.A OH HIS 116.A ND1 no hydrogen 2.834 N/A ILE 309.A N HIS 306.A O no hydrogen 2.918 N/A ASN 310.A N HIS 306.A O no hydrogen 2.655 N/A TRP 312.A N ILE 309.A O no hydrogen 3.215 N/A TRP 312.A NE1 SER 120.A OG no hydrogen 2.876 N/A TYR 313.A N ASN 310.A O no hydrogen 3.071 N/A TYR 313.A OH GLU 319.A OE2 no hydrogen 2.970 N/A ASP 314.A N TYR 124.A OH no hydrogen 2.907 N/A ALA 316.A N ASP 314.A OD1 no hydrogen 2.791 N/A VAL 318.A N ASP 314.A O no hydrogen 2.750 N/A GLU 319.A N PRO 315.A O no hydrogen 2.954 N/A LEU 328.A N ASP 325.A OD1 no hydrogen 3.233 N/A GLU 330.A N GLN 327.A O no hydrogen 3.256 N/A THR 334.A N GLU 337.A OE1 no hydrogen 3.108 N/A TRP 338.A N THR 334.A O no hydrogen 2.820 N/A LYS 339.A N ILE 335.A O no hydrogen 2.790 N/A LYS 339.A NZ LEU 89.A O no hydrogen 3.132 N/A LYS 339.A NZ GLU 90.A O no hydrogen 3.295 N/A GLU 340.A N GLU 336.A O.A no hydrogen 3.305 N/A GLU 340.A N GLU 336.A O.B no hydrogen 3.384 N/A LEU 341.A N GLU 337.A O no hydrogen 3.031 N/A ILE 342.A N TRP 338.A O no hydrogen 2.943 N/A TYR 343.A N LYS 339.A O no hydrogen 2.813 N/A TYR 343.A OH LYS 87.A O.B no hydrogen 3.057 N/A LYS 344.A N GLU 340.A O no hydrogen 2.841 N/A GLU 345.A N LEU 341.A O no hydrogen 3.274 N/A GLU 345.A N ILE 342.A O no hydrogen 2.981 N/A VAL 346.A N ILE 342.A O no hydrogen 2.999 N/A MET 347.A N TYR 343.A O no hydrogen 2.951 N/A