Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wpq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLN 30.A O no hydrogen 2.948 N/A LYS 4.A N ASP 86.A OD2 no hydrogen 2.959 N/A CYS 6.A N ILE 87.A O no hydrogen 3.033 N/A CYS 6.A SG THR 36.A OG1 no hydrogen 3.341 N/A CYS 6.A SG ALA 81.A O no hydrogen 3.181 N/A ILE 7.A N THR 36.A O no hydrogen 2.680 N/A VAL 8.A N ILE 89.A O no hydrogen 2.870 N/A ASN 12.A ND2 TYR 62.A O no hydrogen 2.692 N/A SER 15.A N GLY 11.A O no hydrogen 2.760 N/A SER 15.A OG SER 10.A O no hydrogen 2.985 N/A SER 15.A OG GLY 11.A O no hydrogen 2.699 N/A SER 15.A OG ASN 59.A OD1 no hydrogen 3.448 N/A ALA 16.A N ASN 12.A O no hydrogen 3.380 N/A ILE 17.A N TRP 13.A O no hydrogen 2.857 N/A ALA 18.A N GLY 14.A O no hydrogen 3.095 N/A LYS 19.A N SER 15.A O no hydrogen 3.207 N/A LYS 19.A NZ LYS 67.A O no hydrogen 3.147 N/A ILE 20.A N ALA 16.A O no hydrogen 3.159 N/A VAL 21.A N ILE 17.A O no hydrogen 2.680 N/A GLY 22.A N ALA 18.A O no hydrogen 2.571 N/A GLY 23.A N LYS 19.A O no hydrogen 2.885 N/A ASN 24.A N ILE 20.A O no hydrogen 3.167 N/A ALA 25.A N VAL 21.A O no hydrogen 3.087 N/A ALA 26.A N GLY 22.A O no hydrogen 3.269 N/A GLN 27.A N GLY 23.A O no hydrogen 3.043 N/A LEU 28.A N ASN 24.A O no hydrogen 2.695 N/A GLN 30.A N GLN 30.A OE1 no hydrogen 2.676 N/A GLN 30.A NE2 GLU 178.A OE1 no hydrogen 3.005 N/A PHE 31.A N LEU 28.A O no hydrogen 3.293 N/A ASP 32.A N LYS 3.A O no hydrogen 2.987 N/A ARG 34.A N ASP 32.A OD1 no hydrogen 2.656 N/A VAL 35.A N ASN 71.A O no hydrogen 3.076 N/A THR 36.A N VAL 5.A O no hydrogen 3.259 N/A THR 36.A OG1 VAL 5.A O no hydrogen 3.559 N/A THR 36.A OG1 ALA 81.A O no hydrogen 2.683 N/A MET 37.A N VAL 73.A O no hydrogen 2.927 N/A TRP 38.A N ILE 7.A O no hydrogen 2.827 N/A TRP 38.A NE1 PRO 76.A O no hydrogen 2.970 N/A VAL 39.A N VAL 75.A O no hydrogen 3.108 N/A GLU 42.A N GLU 41.A OE2 no hydrogen 3.224 N/A ILE 44.A N LYS 47.A O no hydrogen 2.790 N/A GLY 46.A N ASP 43.A OD1 no hydrogen 2.848 N/A LYS 47.A N ILE 44.A O no hydrogen 3.256 N/A LEU 49.A N GLU 42.A O no hydrogen 2.912 N/A THR 50.A N GLU 41.A OE2 no hydrogen 3.035 N/A THR 50.A OG1 GLU 41.A OE1 no hydrogen 2.623 N/A THR 50.A OG1 GLU 41.A OE2 no hydrogen 3.533 N/A ILE 52.A N LYS 48.A O no hydrogen 3.040 N/A ILE 53.A N LEU 49.A O no hydrogen 2.802 N/A ASN 54.A N THR 50.A O no hydrogen 3.024 N/A ASN 54.A ND2 ALA 74.A O no hydrogen 3.013 N/A THR 55.A N GLU 51.A O no hydrogen 3.028 N/A THR 55.A N ILE 52.A O no hydrogen 3.159 N/A THR 55.A OG1 GLU 51.A O no hydrogen 2.879 N/A GLN 56.A N ILE 52.A O no hydrogen 2.649 N/A LYS 61.A NZ GLU 42.A OE2 no hydrogen 2.808 N/A LYS 61.A NZ TYR 62.A OH no hydrogen 3.384 N/A TYR 62.A N ASN 59.A O no hydrogen 2.927 N/A TYR 62.A OH GLU 42.A OE1 no hydrogen 2.387 N/A TYR 62.A OH GLU 42.A OE2 no hydrogen 3.384 N/A LEU 63.A N ASN 59.A O no hydrogen 2.881 N/A LYS 67.A NZ GLN 56.A O no hydrogen 2.662 N/A LYS 67.A NZ GLU 58.A OE2 no hydrogen 3.133 N/A LEU 68.A N HIS 57.A O no hydrogen 2.847 N/A ASN 71.A ND2 GLY 22.A O no hydrogen 3.068 N/A ASN 71.A ND2 PRO 33.A O no hydrogen 2.736 N/A VAL 72.A N PRO 69.A O no hydrogen 2.898 N/A VAL 73.A N VAL 35.A O no hydrogen 2.816 N/A ALA 74.A N ASN 54.A OD1 no hydrogen 2.694 N/A VAL 75.A N MET 37.A O no hydrogen 2.921 N/A GLN 80.A N ASP 77.A OD1 no hydrogen 2.820 N/A ALA 81.A N ASP 77.A O no hydrogen 3.040 N/A ALA 82.A N VAL 78.A O no hydrogen 3.012 N/A GLU 83.A N VAL 79.A O no hydrogen 2.797 N/A ALA 85.A N ALA 82.A O no hydrogen 2.802 N/A ASP 86.A N LYS 4.A O no hydrogen 2.803 N/A ILE 87.A N LYS 4.A O no hydrogen 3.242 N/A LEU 88.A N THR 113.A O no hydrogen 2.759 N/A ILE 89.A N CYS 6.A O no hydrogen 2.992 N/A PHE 90.A N ILE 115.A O no hydrogen 2.754 N/A VAL 91.A N VAL 8.A O no hydrogen 2.897 N/A HIS 94.A N GLN 297.A OE1 no hydrogen 2.940 N/A HIS 94.A NE2 VAL 121.A O no hydrogen 3.300 N/A PHE 96.A N PRO 93.A O no hydrogen 2.849 N/A ILE 97.A N HIS 94.A O no hydrogen 3.266 N/A ILE 100.A N PHE 96.A O no hydrogen 3.449 N/A CYS 101.A N ILE 97.A O no hydrogen 2.947 N/A CYS 101.A SG ILE 97.A O no hydrogen 3.444 N/A ASP 102.A N GLY 98.A O no hydrogen 3.387 N/A GLN 103.A N ILE 100.A O no hydrogen 2.940 N/A LEU 104.A N ILE 100.A O no hydrogen 3.039 N/A LYS 105.A N CYS 101.A O no hydrogen 2.810 N/A HIS 107.A N LEU 104.A O no hydrogen 2.829 N/A LYS 109.A NZ ASP 86.A OD1 no hydrogen 2.841 N/A PRO 112.A N LYS 109.A O no hydrogen 3.129 N/A THR 113.A N ASP 86.A O no hydrogen 2.730 N/A THR 113.A OG1 ASP 86.A O no hydrogen 3.420 N/A GLY 114.A N PRO 142.A O no hydrogen 3.183 N/A ILE 115.A N LEU 88.A O no hydrogen 2.859 N/A SER 116.A N SER 144.A O no hydrogen 2.849 N/A LEU 117.A N PHE 90.A O no hydrogen 2.848 N/A ILE 118.A N SER 116.A OG no hydrogen 3.330 N/A LYS 119.A NZ GLY 148.A O no hydrogen 3.536 N/A LYS 119.A NZ ASP 259.A OD2 no hydrogen 2.700 N/A ASP 122.A N LYS 129.A O no hydrogen 2.837 N/A GLY 124.A N GLY 127.A O no hydrogen 2.837 N/A GLY 127.A N PRO 125.A O no hydrogen 3.276 N/A LYS 129.A N ASP 122.A O no hydrogen 3.152 N/A LYS 129.A NZ GLU 137.A OE1 no hydrogen 2.951 N/A LYS 129.A NZ GLU 137.A OE2 no hydrogen 3.115 N/A SER 132.A N GLU 197.A OE2 no hydrogen 2.730 N/A SER 132.A OG GLU 197.A OE1 no hydrogen 2.512 N/A SER 132.A OG GLU 197.A OE2 no hydrogen 3.289 N/A VAL 134.A N LEU 130.A O no hydrogen 2.921 N/A ILE 135.A N ILE 131.A O no hydrogen 2.880 N/A GLY 136.A N SER 132.A O no hydrogen 2.847 N/A GLU 137.A N GLU 133.A O no hydrogen 2.955 N/A ARG 138.A N VAL 134.A O no hydrogen 3.128 N/A ARG 138.A NH1 ASP 102.A OD2 no hydrogen 3.396 N/A LEU 139.A N ILE 135.A O no hydrogen 2.901 N/A ILE 141.A N GLY 136.A O no hydrogen 3.043 N/A SER 144.A N GLY 114.A O no hydrogen 2.962 N/A VAL 145.A N GLY 166.A O no hydrogen 2.925 N/A LEU 146.A N SER 116.A O no hydrogen 3.286 N/A MET 147.A N THR 164.A O no hydrogen 2.675 N/A ALA 149.A N SER 254.A OG no hydrogen 3.071 N/A ASN 150.A ND2 THR 163.A OG1 no hydrogen 2.745 N/A GLU 154.A N ILE 151.A O no hydrogen 3.127 N/A VAL 155.A N ILE 151.A O no hydrogen 3.136 N/A ALA 156.A N ALA 152.A O no hydrogen 2.828 N/A ASP 157.A N SER 153.A O no hydrogen 3.164 N/A ASP 157.A N GLU 154.A O no hydrogen 2.996 N/A GLU 158.A N VAL 155.A O no hydrogen 3.195 N/A LYS 159.A N GLU 154.A O no hydrogen 3.200 N/A CYS 161.A N ASN 184.A O no hydrogen 2.997 N/A CYS 161.A SG LYS 159.A O no hydrogen 3.876 N/A CYS 161.A SG ASN 184.A O no hydrogen 3.880 N/A THR 163.A N ARG 186.A O no hydrogen 2.910 N/A THR 164.A N MET 147.A O no hydrogen 2.840 N/A ILE 165.A N THR 188.A O no hydrogen 2.862 N/A GLY 166.A N VAL 145.A O no hydrogen 2.732 N/A CYS 167.A N VAL 190.A O no hydrogen 2.888 N/A CYS 167.A SG SER 144.A OG no hydrogen 2.979 N/A CYS 167.A SG ASP 169.A O no hydrogen 3.183 N/A GLN 172.A N ASP 169.A OD2 no hydrogen 2.880 N/A GLN 172.A NE2 THR 113.A OG1 no hydrogen 2.777 N/A GLY 173.A N ASP 169.A O no hydrogen 2.775 N/A GLN 174.A N PRO 170.A O no hydrogen 2.887 N/A GLN 174.A NE2 GLU 178.A OE2 no hydrogen 2.912 N/A LEU 175.A N ALA 171.A O no hydrogen 3.085 N/A LEU 176.A N GLN 172.A O no hydrogen 3.017 N/A LYS 177.A N GLY 173.A O no hydrogen 3.051 N/A LYS 177.A NZ ILE 187.A O no hydrogen 3.183 N/A GLU 178.A N GLN 174.A O no hydrogen 3.005 N/A LEU 179.A N LEU 175.A O no hydrogen 3.082 N/A MET 180.A N LEU 176.A O no hydrogen 2.973 N/A GLN 181.A N LYS 177.A O no hydrogen 2.790 N/A THR 182.A N PHE 185.A O no hydrogen 2.998 N/A PHE 185.A N THR 182.A O no hydrogen 2.988 N/A ARG 186.A N CYS 161.A O no hydrogen 3.081 N/A ARG 186.A NH1 THR 182.A O no hydrogen 3.061 N/A THR 188.A N THR 163.A O no hydrogen 3.247 N/A VAL 190.A N ILE 165.A O no hydrogen 2.844 N/A VAL 193.A N GLN 191.A O no hydrogen 2.821 N/A THR 195.A OG1 GLU 192.A OE2 no hydrogen 3.090 N/A VAL 196.A N GLU 192.A O no hydrogen 3.162 N/A GLU 197.A N VAL 193.A O no hydrogen 2.944 N/A ILE 198.A N ASP 194.A O no hydrogen 2.981 N/A CYS 199.A N THR 195.A O no hydrogen 3.086 N/A CYS 199.A SG THR 195.A O no hydrogen 3.292 N/A GLY 200.A N VAL 196.A O no hydrogen 3.475 N/A ALA 201.A N GLU 197.A O no hydrogen 3.259 N/A LEU 202.A N ILE 198.A O no hydrogen 2.952 N/A LYS 203.A N CYS 199.A O no hydrogen 3.082 N/A LYS 203.A NZ ASN 204.A OD1 no hydrogen 2.631 N/A LYS 203.A NZ ASP 259.A OD1 no hydrogen 3.323 N/A LYS 203.A NZ THR 263.A OG1 no hydrogen 2.768 N/A VAL 205.A N LEU 202.A O no hydrogen 2.954 N/A ALA 207.A N LYS 203.A O no hydrogen 2.943 N/A VAL 208.A N ASN 204.A O no hydrogen 3.031 N/A GLY 209.A N VAL 205.A O no hydrogen 3.393 N/A ALA 210.A N VAL 206.A O no hydrogen 2.861 N/A GLY 211.A N ALA 207.A O no hydrogen 2.905 N/A PHE 212.A N VAL 208.A O no hydrogen 3.130 N/A CYS 213.A N GLY 209.A O no hydrogen 3.211 N/A CYS 213.A SG GLY 209.A O no hydrogen 3.620 N/A ASP 214.A N ALA 210.A O no hydrogen 3.042 N/A GLY 215.A N GLY 211.A O no hydrogen 2.946 N/A LEU 216.A N CYS 213.A O no hydrogen 3.111 N/A GLY 217.A N ASP 214.A O no hydrogen 3.051 N/A PHE 218.A N CYS 213.A O no hydrogen 3.030 N/A LYS 223.A N GLY 219.A O no hydrogen 3.235 N/A LYS 223.A NZ ASP 214.A OD1 no hydrogen 3.442 N/A LYS 223.A NZ ASP 214.A OD2 no hydrogen 2.789 N/A LYS 223.A NZ CYS 264.A O no hydrogen 3.096 N/A ALA 224.A N ASP 220.A O no hydrogen 2.738 N/A ALA 225.A N ASN 221.A O no hydrogen 3.217 N/A VAL 226.A N THR 222.A O no hydrogen 2.935 N/A ILE 227.A N LYS 223.A O no hydrogen 2.921 N/A ARG 228.A N ALA 224.A O no hydrogen 2.845 N/A LEU 229.A N ALA 225.A O no hydrogen 2.840 N/A GLY 230.A N VAL 226.A O no hydrogen 2.939 N/A LEU 231.A N ILE 227.A O no hydrogen 2.885 N/A MET 232.A N ARG 228.A O no hydrogen 3.165 N/A GLU 233.A N LEU 229.A O no hydrogen 3.181 N/A MET 234.A N GLY 230.A O no hydrogen 2.876 N/A ILE 235.A N LEU 231.A O no hydrogen 2.956 N/A ALA 236.A N MET 232.A O no hydrogen 3.157 N/A PHE 237.A N GLU 233.A O no hydrogen 2.842 N/A ALA 238.A N MET 234.A O no hydrogen 2.736 N/A LYS 239.A N ILE 235.A O no hydrogen 2.816 N/A LYS 239.A NZ SER 248.A OG no hydrogen 3.102 N/A LEU 240.A N ALA 236.A O no hydrogen 3.178 N/A PHE 241.A N PHE 237.A O no hydrogen 2.894 N/A CYS 242.A N ALA 238.A O no hydrogen 2.846 N/A SER 247.A N GLU 192.A OE2 no hydrogen 2.787 N/A SER 247.A OG GLU 192.A OE1 no hydrogen 2.853 N/A SER 247.A OG GLU 192.A OE2 no hydrogen 2.808 N/A SER 247.A OG THR 250.A OG1 no hydrogen 2.793 N/A THR 250.A OG1 GLU 192.A OE2 no hydrogen 2.861 N/A THR 250.A OG1 SER 247.A OG no hydrogen 2.793 N/A PHE 251.A N SER 248.A O no hydrogen 3.030 N/A LEU 252.A N ALA 249.A O no hydrogen 2.632 N/A GLU 253.A N THR 250.A O no hydrogen 3.244 N/A SER 254.A OG GLU 162.A O no hydrogen 3.309 N/A CYS 255.A N THR 164.A OG1 no hydrogen 3.287 N/A CYS 255.A SG THR 250.A O no hydrogen 3.801 N/A GLY 256.A N GLU 253.A O no hydrogen 2.684 N/A VAL 257.A N PHE 251.A O no hydrogen 2.812 N/A ASP 259.A N SER 254.A O no hydrogen 2.981 N/A LEU 260.A N GLY 256.A O no hydrogen 3.152 N/A ILE 261.A N VAL 257.A O no hydrogen 2.938 N/A THR 262.A N ALA 258.A O no hydrogen 2.851 N/A THR 263.A N ASP 259.A O no hydrogen 3.028 N/A THR 263.A OG1 ASP 259.A O no hydrogen 2.574 N/A THR 263.A OG1 ASP 259.A OD1 no hydrogen 2.587 N/A CYS 264.A N LEU 260.A O no hydrogen 3.184 N/A CYS 264.A SG LEU 260.A O no hydrogen 3.122 N/A TYR 265.A N ILE 261.A O no hydrogen 3.214 N/A TYR 265.A N THR 262.A O no hydrogen 3.325 N/A TYR 265.A OH ASP 220.A OD1 no hydrogen 2.809 N/A GLY 266.A N THR 262.A O no hydrogen 2.867 N/A GLY 267.A N THR 263.A O no hydrogen 2.946 N/A ARG 270.A NH1 ASP 214.A OD2 no hydrogen 2.972 N/A ARG 270.A NH1 GLU 274.A OE1 no hydrogen 3.260 N/A LYS 271.A N GLY 267.A O no hydrogen 3.156 N/A VAL 272.A N ARG 268.A O no hydrogen 3.090 N/A ALA 273.A N ASN 269.A O no hydrogen 2.822 N/A GLU 274.A N ARG 270.A O no hydrogen 2.928 N/A ALA 275.A N LYS 271.A O no hydrogen 3.096 N/A PHE 276.A N VAL 272.A O no hydrogen 2.817 N/A ALA 277.A N ALA 273.A O no hydrogen 3.067 N/A ARG 278.A N GLU 274.A O no hydrogen 3.014 N/A ARG 278.A N ALA 275.A O no hydrogen 3.254 N/A ARG 278.A NE GLU 274.A OE2 no hydrogen 2.826 N/A ARG 278.A NH2 GLU 274.A OE2 no hydrogen 3.467 N/A THR 279.A N ALA 275.A O no hydrogen 2.759 N/A THR 279.A OG1 ALA 275.A O no hydrogen 2.848 N/A GLY 280.A N PHE 276.A O no hydrogen 3.315 N/A LYS 281.A N THR 279.A OG1 no hydrogen 2.954 N/A LYS 281.A NZ GLU 289.A OE1 no hydrogen 2.959 N/A GLN 285.A N SER 282.A OG no hydrogen 3.032 N/A GLN 285.A NE2 GLU 289.A OE2 no hydrogen 2.680 N/A LEU 286.A N SER 282.A O no hydrogen 2.886 N/A GLU 287.A N ILE 283.A O no hydrogen 2.727 N/A LYS 288.A N GLU 284.A O no hydrogen 3.141 N/A GLU 289.A N GLN 285.A O no hydrogen 2.906 N/A LEU 290.A N LEU 286.A O no hydrogen 2.810 N/A LEU 291.A N GLU 287.A O no hydrogen 3.228 N/A GLN 294.A N LEU 291.A O no hydrogen 2.717 N/A LEU 296.A N GLU 287.A OE2 no hydrogen 2.675 N/A GLN 297.A NE2 LYS 295.A O no hydrogen 3.611 N/A GLN 297.A NE2 LEU 296.A O no hydrogen 3.050 N/A GLY 298.A N ASN 269.A OD1 no hydrogen 2.949 N/A THR 301.A N GLN 297.A O no hydrogen 3.190 N/A THR 301.A OG1 GLN 297.A O no hydrogen 2.495 N/A ALA 302.A N GLY 298.A O no hydrogen 3.019 N/A ARG 303.A N PRO 299.A O no hydrogen 3.002 N/A ARG 303.A NH2 TYR 329.A OH no hydrogen 3.270 N/A GLU 304.A N GLU 300.A O no hydrogen 2.986 N/A LEU 305.A N THR 301.A O no hydrogen 2.863 N/A TYR 306.A N ALA 302.A O no hydrogen 2.978 N/A SER 307.A N ARG 303.A O no hydrogen 3.342 N/A SER 307.A OG GLU 123.A OE1 no hydrogen 2.707 N/A ILE 308.A N GLU 304.A O no hydrogen 2.970 N/A LEU 309.A N LEU 305.A O no hydrogen 2.834 N/A GLN 310.A N TYR 306.A O no hydrogen 2.794 N/A HIS 311.A N ILE 308.A O no hydrogen 3.016 N/A LYS 312.A N LEU 309.A O no hydrogen 2.951 N/A LEU 314.A N LEU 309.A O no hydrogen 2.884 N/A LYS 317.A N LEU 314.A O no hydrogen 2.885 N/A LEU 320.A N GLU 233.A OE1 no hydrogen 2.877 N/A PHE 321.A N GLU 233.A OE2 no hydrogen 3.065 N/A MET 322.A N PHE 318.A O no hydrogen 2.954 N/A ALA 323.A N PRO 319.A O no hydrogen 2.744 N/A VAL 324.A N LEU 320.A O no hydrogen 2.889 N/A TYR 325.A N PHE 321.A O no hydrogen 2.899 N/A LYS 326.A N MET 322.A O no hydrogen 2.780 N/A VAL 327.A N ALA 323.A O no hydrogen 2.999 N/A CYS 328.A N VAL 324.A O no hydrogen 3.006 N/A CYS 328.A SG VAL 324.A O no hydrogen 3.298 N/A TYR 329.A N TYR 325.A O no hydrogen 2.801 N/A GLU 330.A N LYS 326.A O no hydrogen 2.804 N/A GLY 331.A N LYS 326.A O no hydrogen 3.144 N/A GLN 332.A N LYS 326.A O no hydrogen 3.324 N/A GLN 332.A NE2 GLU 336.A OE1 no hydrogen 3.016 N/A GLU 336.A N PRO 333.A O no hydrogen 3.110 N/A PHE 337.A N VAL 334.A O no hydrogen 2.880 N/A HIS 339.A N GLU 336.A O no hydrogen 3.287 N/A CYS 340.A N PHE 337.A O no hydrogen 2.898 N/A CYS 340.A SG PHE 337.A O no hydrogen 3.302 N/A LEU 341.A N ILE 338.A O no hydrogen 2.874 N/A GLN 342.A N ILE 338.A O no hydrogen 2.929 N/A ASN 343.A N HIS 339.A O no hydrogen 3.351 N/A ASN 343.A ND2 HIS 339.A O no hydrogen 2.941 N/A HIS 344.A N LEU 341.A O no hydrogen 2.925 N/A HIS 344.A ND1 PRO 345.A O no hydrogen 2.594 N/A HIS 344.A NE2 GLU 233.A OE1 no hydrogen 2.738 N/A