Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3taj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASN 27.A O no hydrogen 2.905 N/A VAL 5.A N ASP 49.A OD2 no hydrogen 2.857 N/A TRP 6.A N THR 29.A O no hydrogen 2.739 N/A CYS 7.A N ALA 50.A O no hydrogen 2.916 N/A ALA 8.A N ALA 31.A O no hydrogen 2.803 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 2.842 N/A GLY 10.A N ALA 33.A O no hydrogen 2.805 N/A GLN 14.A N GLY 10.A O no hydrogen 3.029 N/A LYS 15.A N PRO 11.A O no hydrogen 3.032 N/A LYS 16.A N GLU 12.A O no hydrogen 3.100 N/A LYS 16.A NZ LEU 290.A O no hydrogen 2.800 N/A LYS 16.A NZ LYS 292.A O no hydrogen 2.807 N/A LYS 16.A NZ LEU 298.A O no hydrogen 2.842 N/A CYS 17.A N GLU 13.A O no hydrogen 2.793 N/A GLN 18.A N GLN 14.A O no hydrogen 2.861 N/A GLN 19.A N LYS 15.A O no hydrogen 3.197 N/A TRP 20.A N LYS 16.A O no hydrogen 2.982 N/A TRP 20.A NE1 GLN 273.A OE1 no hydrogen 2.971 N/A SER 21.A N CYS 17.A O no hydrogen 2.769 N/A SER 21.A OG VAL 28.A O no hydrogen 2.674 N/A GLN 22.A N GLN 18.A O no hydrogen 2.931 N/A GLN 23.A N GLN 19.A O no hydrogen 3.001 N/A SER 24.A N TRP 20.A O no hydrogen 2.862 N/A SER 24.A OG TRP 20.A O no hydrogen 3.167 N/A SER 24.A OG SER 21.A O no hydrogen 2.957 N/A GLY 25.A N GLN 22.A O no hydrogen 3.183 N/A GLN 26.A N SER 21.A O no hydrogen 2.968 N/A ASN 27.A N SER 24.A O no hydrogen 3.306 N/A VAL 28.A N SER 24.A OG no hydrogen 3.160 N/A THR 29.A N VAL 4.A O no hydrogen 2.857 N/A ALA 31.A N TRP 6.A O no hydrogen 2.738 N/A ALA 33.A N ALA 8.A O no hydrogen 2.959 N/A ASP 38.A N THR 35.A OG1 no hydrogen 3.010 N/A CYS 39.A N THR 35.A O no hydrogen 3.102 N/A CYS 39.A SG ALA 8.A O no hydrogen 3.537 N/A ILE 40.A N THR 36.A O no hydrogen 2.905 N/A VAL 41.A N ASP 37.A O no hydrogen 3.062 N/A LEU 42.A N ASP 38.A O no hydrogen 2.964 N/A VAL 43.A N CYS 39.A O no hydrogen 2.950 N/A LEU 44.A N ILE 40.A O no hydrogen 2.863 N/A LYS 45.A N VAL 41.A O no hydrogen 2.886 N/A LYS 45.A NZ GLU 47.A OE1 no hydrogen 3.343 N/A LYS 45.A NZ GLU 47.A OE2 no hydrogen 3.175 N/A GLY 46.A N VAL 43.A O no hydrogen 2.966 N/A GLU 47.A N LEU 42.A O no hydrogen 2.864 N/A ALA 48.A N LEU 42.A O no hydrogen 3.220 N/A ASP 49.A N VAL 5.A O no hydrogen 2.709 N/A ALA 50.A N VAL 5.A O no hydrogen 3.349 N/A LEU 51.A N VAL 257.A O no hydrogen 3.436 N/A ASN 52.A ND2 GLU 72.A OE2 no hydrogen 2.804 N/A ASN 52.A ND2 LEU 299.A O no hydrogen 3.310 N/A LEU 53.A N ALA 255.A O no hydrogen 2.725 N/A GLY 56.A N ASP 54.A OD2 no hydrogen 2.878 N/A ILE 58.A N ASP 54.A O no hydrogen 2.968 N/A TYR 59.A N GLY 55.A O no hydrogen 3.025 N/A THR 60.A N GLY 56.A O no hydrogen 3.411 N/A ALA 61.A N TYR 57.A O no hydrogen 2.859 N/A GLY 62.A N ILE 58.A O no hydrogen 2.704 N/A LYS 63.A N TYR 59.A O no hydrogen 3.029 N/A LYS 63.A NZ TYR 59.A OH no hydrogen 3.253 N/A LYS 63.A NZ TYR 316.A OH no hydrogen 3.097 N/A CYS 64.A N ALA 61.A O no hydrogen 3.076 N/A CYS 64.A SG THR 60.A O no hydrogen 3.433 N/A GLY 65.A N GLY 62.A O no hydrogen 2.990 N/A LEU 66.A N ALA 61.A O no hydrogen 2.986 N/A VAL 67.A N SER 258.A O no hydrogen 2.886 N/A VAL 69.A N VAL 256.A O no hydrogen 2.704 N/A ALA 71.A N ALA 308.A O no hydrogen 2.976 N/A GLU 72.A N HIS 254.A O no hydrogen 2.829 N/A ASN 73.A N CYS 306.A O no hydrogen 2.873 N/A ASN 73.A ND2 CYS 84.A O no hydrogen 3.079 N/A ASN 73.A ND2 ARG 87.A O no hydrogen 2.850 N/A ARG 74.A NH1 ASN 253.A OD1 no hydrogen 3.102 N/A ARG 74.A NH2 GLY 91.A O no hydrogen 2.279 N/A SER 76.A OG ARG 74.A O no hydrogen 3.216 N/A SER 76.A OG GLU 90.A OE1 no hydrogen 3.441 N/A VAL 85.A N ASP 83.A OD2 no hydrogen 3.298 N/A LEU 86.A N ASP 83.A O no hydrogen 2.997 N/A ARG 87.A N CYS 84.A O no hydrogen 3.199 N/A ARG 87.A NH1 GLU 305.A OE1 no hydrogen 2.973 N/A ARG 87.A NH2 GLU 305.A OE1 no hydrogen 2.798 N/A ARG 87.A NH2 GLU 305.A OE2 no hydrogen 3.128 N/A TYR 92.A N ALA 251.A O no hydrogen 2.908 N/A ALA 94.A N ALA 249.A O no hydrogen 2.938 N/A VAL 95.A N VAL 202.A O no hydrogen 2.867 N/A VAL 97.A N ALA 200.A O no hydrogen 2.878 N/A VAL 98.A N ARG 229.A O no hydrogen 2.848 N/A LYS 99.A NZ ALA 193.A O no hydrogen 2.953 N/A LYS 99.A NZ ASP 195.A OD1 no hydrogen 2.981 N/A LYS 99.A NZ ASP 195.A OD2 no hydrogen 3.313 N/A LYS 100.A N ASP 227.A O no hydrogen 2.776 N/A LYS 100.A NZ GLU 226.A OE1 no hydrogen 3.164 N/A ASN 102.A N LYS 99.A O no hydrogen 2.976 N/A ASN 102.A ND2 ASP 198.A OD1 no hydrogen 3.270 N/A THR 106.A N SER 109.A OG no hydrogen 2.766 N/A TRP 107.A NE1 GLN 136.A OE1 no hydrogen 2.730 N/A ASN 108.A N THR 106.A OG1 no hydrogen 3.034 N/A SER 109.A N THR 106.A O no hydrogen 3.137 N/A SER 109.A OG GLY 104.A O no hydrogen 3.418 N/A SER 109.A OG THR 106.A O no hydrogen 3.170 N/A ASP 112.A N PHE 145.A O no hydrogen 2.867 N/A LYS 113.A N LEU 110.A O no hydrogen 3.040 N/A LYS 113.A NZ SER 109.A O no hydrogen 2.912 N/A LYS 114.A N ASP 198.A OD2 no hydrogen 2.803 N/A SER 115.A N GLN 148.A O no hydrogen 3.078 N/A SER 115.A OG HIS 117.A NE2 no hydrogen 2.738 N/A SER 115.A OG SER 149.A OG no hydrogen 2.734 N/A CYS 116.A N VAL 199.A O no hydrogen 2.733 N/A CYS 116.A SG VAL 199.A O no hydrogen 3.679 N/A HIS 117.A N CYS 150.A O no hydrogen 2.857 N/A HIS 117.A ND1 GLY 125.A O no hydrogen 2.677 N/A HIS 117.A NE2 SER 115.A OG no hydrogen 2.738 N/A VAL 120.A N PRO 152.A O no hydrogen 2.871 N/A ARG 122.A N ALA 119.A O no hydrogen 3.379 N/A ARG 122.A NH1 TYR 183.A OH no hydrogen 3.172 N/A THR 123.A N ASP 54.A OD2 no hydrogen 2.790 N/A THR 123.A OG1 ASP 54.A OD1 no hydrogen 3.241 N/A THR 123.A OG1 ASP 54.A OD2 no hydrogen 3.238 N/A THR 123.A OG1 TYR 324.A OH no hydrogen 2.648 N/A TRP 126.A N ARG 122.A O no hydrogen 2.913 N/A ASN 127.A N ARG 122.A O no hydrogen 2.778 N/A ASN 127.A ND2 ASP 121.A O no hydrogen 3.339 N/A ASN 127.A ND2 TYR 324.A OH no hydrogen 3.084 N/A ILE 128.A N THR 123.A O no hydrogen 3.036 N/A MET 130.A N TRP 126.A O no hydrogen 2.840 N/A GLY 131.A N ASN 127.A O no hydrogen 2.975 N/A LEU 132.A N ILE 128.A O no hydrogen 2.974 N/A ILE 133.A N PRO 129.A O no hydrogen 2.926 N/A VAL 134.A N MET 130.A O no hydrogen 2.879 N/A ASN 135.A N GLY 131.A O no hydrogen 3.102 N/A GLN 136.A N LEU 132.A O no hydrogen 2.968 N/A THR 137.A N ILE 133.A O no hydrogen 2.805 N/A GLY 138.A N ASN 135.A O no hydrogen 3.319 N/A SER 139.A N VAL 134.A O no hydrogen 3.246 N/A ALA 141.A N SER 139.A OG no hydrogen 3.107 N/A GLU 144.A N ALA 141.A O no hydrogen 2.776 N/A SER 147.A N LYS 113.A O no hydrogen 2.990 N/A SER 147.A OG LYS 113.A O no hydrogen 3.405 N/A SER 149.A N ARG 159.A O no hydrogen 2.809 N/A SER 149.A OG SER 115.A OG no hydrogen 2.734 N/A CYS 150.A N SER 115.A O no hydrogen 2.973 N/A ALA 151.A N LEU 160.A O no hydrogen 2.780 N/A GLY 153.A N CYS 174.A O no hydrogen 2.883 N/A ALA 154.A N ALA 151.A O no hydrogen 3.107 N/A LYS 157.A N ASP 155.A OD1 no hydrogen 3.294 N/A LYS 157.A NZ ASP 155.A OD1 no hydrogen 3.480 N/A LYS 157.A NZ ASP 155.A OD2 no hydrogen 2.815 N/A SER 158.A N ASP 155.A O no hydrogen 2.861 N/A SER 158.A OG ASP 155.A O no hydrogen 2.653 N/A ARG 159.A NH1 PHE 146.A O no hydrogen 2.988 N/A CYS 161.A N SER 158.A O no hydrogen 3.054 N/A CYS 161.A SG ALA 154.A O no hydrogen 3.301 N/A CYS 161.A SG ASP 155.A O no hydrogen 3.188 N/A ALA 162.A N ARG 159.A O no hydrogen 3.241 N/A LEU 163.A N SER 149.A O no hydrogen 2.849 N/A CYS 164.A N CYS 161.A O no hydrogen 2.980 N/A ALA 165.A N GLU 180.A OE2 no hydrogen 2.929 N/A GLY 166.A N GLU 180.A OE1 no hydrogen 2.762 N/A ASP 167.A N LEU 171.A O no hydrogen 2.716 N/A GLY 170.A N ASP 167.A O no hydrogen 2.722 N/A LEU 171.A N ASP 167.A OD1 no hydrogen 2.797 N/A LYS 173.A NZ CYS 161.A O no hydrogen 2.552 N/A LYS 173.A NZ ALA 162.A O no hydrogen 2.975 N/A LYS 173.A NZ CYS 164.A O no hydrogen 3.054 N/A CYS 174.A N GLU 180.A OE1 no hydrogen 2.760 N/A CYS 174.A SG ALA 151.A O no hydrogen 3.362 N/A VAL 175.A N ASP 172.A O no hydrogen 3.098 N/A ASN 177.A ND2 SER 34.A O no hydrogen 2.846 N/A SER 178.A OG GLU 12.A OE1 no hydrogen 2.627 N/A LYS 179.A N ASN 177.A OD1 no hydrogen 2.866 N/A GLU 180.A N ASN 177.A O no hydrogen 3.082 N/A LYS 181.A N GLY 166.A O no hydrogen 3.026 N/A TYR 182.A N GLU 180.A OE2 no hydrogen 2.962 N/A TYR 182.A OH GLU 194.A OE1 no hydrogen 2.625 N/A TYR 183.A N GLU 180.A O no hydrogen 3.035 N/A GLY 184.A N THR 118.A O no hydrogen 2.938 N/A TYR 185.A OH HIS 254.A NE2 no hydrogen 2.840 N/A THR 186.A OG1 THR 295.A O no hydrogen 2.922 N/A GLY 187.A N TYR 183.A O no hydrogen 3.075 N/A ALA 188.A N GLY 184.A O no hydrogen 2.925 N/A PHE 189.A N TYR 185.A O no hydrogen 3.041 N/A ARG 190.A N THR 186.A O no hydrogen 2.803 N/A ARG 190.A NE GLU 194.A OE2 no hydrogen 2.809 N/A ARG 190.A NH2 GLU 194.A OE2 no hydrogen 3.354 N/A CYS 191.A N GLY 187.A O no hydrogen 2.852 N/A LEU 192.A N ALA 188.A O no hydrogen 3.198 N/A ALA 193.A N PHE 189.A O no hydrogen 2.786 N/A GLU 194.A N ARG 190.A O no hydrogen 2.870 N/A ASP 195.A N LEU 192.A O no hydrogen 2.836 N/A VAL 196.A N CYS 191.A O no hydrogen 2.971 N/A GLY 197.A N CYS 191.A O no hydrogen 3.116 N/A ASP 198.A N LYS 114.A O no hydrogen 2.691 N/A VAL 199.A N LYS 114.A O no hydrogen 3.194 N/A ALA 200.A N VAL 97.A O no hydrogen 2.891 N/A PHE 201.A N CYS 116.A O no hydrogen 2.894 N/A VAL 202.A N VAL 95.A O no hydrogen 3.228 N/A ASN 204.A N LEU 93.A O no hydrogen 2.806 N/A THR 206.A N LYS 203.A O no hydrogen 3.193 N/A THR 206.A OG1 LYS 203.A O no hydrogen 3.479 N/A VAL 207.A N ASN 204.A O no hydrogen 3.197 N/A TRP 208.A NE1 VAL 240.A O no hydrogen 3.198 N/A GLU 209.A N ASP 205.A O no hydrogen 2.945 N/A ASN 210.A ND2 THR 206.A O no hydrogen 2.870 N/A THR 211.A OG1 VAL 207.A O no hydrogen 2.622 N/A THR 211.A OG1 TRP 208.A O no hydrogen 3.389 N/A ASN 212.A N LEU 223.A O no hydrogen 2.794 N/A GLU 214.A N THR 211.A O no hydrogen 2.998 N/A ALA 217.A N SER 215.A OG no hydrogen 3.266 N/A ALA 220.A N ALA 217.A O no hydrogen 2.907 N/A LYS 221.A N ALA 217.A O no hydrogen 2.690 N/A LYS 221.A NZ ASP 218.A OD1 no hydrogen 2.892 N/A LEU 223.A N ALA 220.A O no hydrogen 2.949 N/A ARG 225.A N ASN 212.A OD1 no hydrogen 2.895 N/A ARG 225.A NH2 TRP 208.A O no hydrogen 3.100 N/A ASP 227.A N LYS 224.A O no hydrogen 2.885 N/A PHE 228.A N ARG 225.A O no hydrogen 2.950 N/A ARG 229.A N VAL 98.A O no hydrogen 2.900 N/A ARG 229.A NH1 GLU 226.A OE2 no hydrogen 3.313 N/A ARG 229.A NH1 PHE 228.A O no hydrogen 2.914 N/A ARG 229.A NH2 GLU 226.A OE1 no hydrogen 3.303 N/A ARG 229.A NH2 GLU 226.A OE2 no hydrogen 3.355 N/A LEU 230.A N LYS 238.A O no hydrogen 2.681 N/A LEU 231.A N ALA 96.A O no hydrogen 2.800 N/A CYS 232.A N THR 236.A O no hydrogen 2.987 N/A CYS 232.A SG THR 236.A O no hydrogen 3.595 N/A CYS 232.A SG THR 236.A OG1 no hydrogen 3.295 N/A GLY 235.A N CYS 232.A O no hydrogen 3.165 N/A THR 236.A N ASP 234.A OD1 no hydrogen 3.080 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.607 N/A ARG 237.A NH1 ASN 102.A O no hydrogen 2.765 N/A ARG 237.A NH1 LEU 105.A O no hydrogen 2.863 N/A ARG 237.A NH2 LYS 100.A O no hydrogen 2.890 N/A LYS 238.A N LEU 230.A O no hydrogen 2.978 N/A THR 241.A OG1 GLU 242.A OE2 no hydrogen 2.992 N/A GLU 242.A N PRO 239.A O no hydrogen 2.945 N/A SER 245.A N GLU 242.A O no hydrogen 2.735 N/A SER 245.A OG GLU 242.A O no hydrogen 3.151 N/A CYS 246.A N ALA 243.A O no hydrogen 3.186 N/A HIS 247.A ND1 ALA 243.A O no hydrogen 2.726 N/A LEU 248.A N ALA 94.A O no hydrogen 2.791 N/A ALA 251.A N TYR 92.A O no hydrogen 2.709 N/A ASN 253.A ND2 GLU 72.A O no hydrogen 2.746 N/A ALA 255.A N LEU 53.A O no hydrogen 2.996 N/A VAL 256.A N LEU 70.A O no hydrogen 2.824 N/A VAL 257.A N LEU 51.A O no hydrogen 2.971 N/A SER 258.A N VAL 67.A O no hydrogen 3.077 N/A SER 258.A OG ARG 259.A O no hydrogen 2.976 N/A ARG 259.A NE ASP 261.A OD2 no hydrogen 3.223 N/A ARG 259.A NH1 LEU 44.A O no hydrogen 3.092 N/A ARG 259.A NH2 ASP 261.A OD2 no hydrogen 2.849 N/A ARG 262.A N ARG 259.A O no hydrogen 2.895 N/A ARG 262.A NE ASP 49.A OD1 no hydrogen 2.896 N/A ARG 262.A NH2 ASP 49.A OD2 no hydrogen 2.980 N/A ALA 263.A N SER 260.A O no hydrogen 3.364 N/A VAL 266.A N ARG 262.A O no hydrogen 2.914 N/A GLU 267.A N ALA 263.A O no hydrogen 2.917 N/A GLN 268.A N ALA 264.A O no hydrogen 3.173 N/A VAL 269.A N HIS 265.A O no hydrogen 3.060 N/A LEU 270.A N VAL 266.A O no hydrogen 2.932 N/A LEU 271.A N GLU 267.A O no hydrogen 2.936 N/A HIS 272.A N GLN 268.A O no hydrogen 3.264 N/A GLN 273.A N VAL 269.A O no hydrogen 2.780 N/A GLN 274.A N LEU 270.A O no hydrogen 2.935 N/A GLN 274.A NE2 LEU 307.A O no hydrogen 3.078 N/A ALA 275.A N LEU 271.A O no hydrogen 3.333 N/A LEU 276.A N HIS 272.A O no hydrogen 3.310 N/A LEU 276.A N GLN 273.A O no hydrogen 3.149 N/A PHE 277.A N GLN 273.A O no hydrogen 2.774 N/A GLY 278.A N GLN 274.A O no hydrogen 2.718 N/A GLY 281.A N GLY 278.A O no hydrogen 3.009 N/A LYS 282.A N ALA 275.A O no hydrogen 3.040 N/A ASN 283.A N LEU 276.A O no hydrogen 2.753 N/A CYS 284.A N GLY 281.A O no hydrogen 3.228 N/A CYS 284.A SG GLY 278.A O no hydrogen 3.560 N/A LYS 287.A N ASN 283.A O no hydrogen 2.764 N/A PHE 288.A N ASN 283.A O no hydrogen 3.092 N/A LEU 290.A N PHE 277.A O no hydrogen 2.828 N/A LYS 292.A N CYS 289.A O no hydrogen 3.427 N/A LYS 292.A NZ ASP 302.A O no hydrogen 3.000 N/A SER 293.A OG ASP 302.A OD1 no hydrogen 2.524 N/A SER 293.A OG ASP 302.A OD2 no hydrogen 2.853 N/A THR 295.A OG1 GLU 294.A O no hydrogen 2.521 N/A LYS 296.A N SER 293.A O no hydrogen 3.157 N/A ASN 297.A N ASP 302.A OD2 no hydrogen 3.048 N/A LEU 298.A N SER 293.A OG no hydrogen 3.173 N/A LEU 299.A N GLU 13.A OE2 no hydrogen 2.816 N/A ASN 301.A N GLU 72.A OE2 no hydrogen 2.801 N/A ASN 301.A ND2 GLU 72.A OE1 no hydrogen 2.801 N/A ASN 301.A ND2 HIS 254.A ND1 no hydrogen 3.414 N/A ASP 302.A N ASN 297.A OD1 no hydrogen 2.773 N/A ASN 303.A ND2 GLU 209.A OE2 no hydrogen 3.146 N/A THR 304.A N ASN 301.A O no hydrogen 3.102 N/A THR 304.A OG1 ASN 301.A O no hydrogen 2.749 N/A GLU 305.A N ASN 73.A O no hydrogen 2.766 N/A CYS 306.A N ASN 73.A O no hydrogen 3.174 N/A LEU 307.A N GLN 274.A OE1 no hydrogen 2.701 N/A ALA 308.A N ALA 71.A O no hydrogen 2.688 N/A LYS 309.A N VAL 85.A O no hydrogen 2.878 N/A THR 315.A N GLU 318.A OE1 no hydrogen 2.884 N/A GLU 318.A N THR 315.A OG1 no hydrogen 3.167 N/A TYR 319.A N THR 315.A O no hydrogen 2.900 N/A TYR 319.A OH ASN 253.A O no hydrogen 2.572 N/A LEU 320.A N TYR 316.A O no hydrogen 2.957 N/A GLY 321.A N GLU 317.A O no hydrogen 2.969 N/A TYR 324.A OH THR 123.A OG1 no hydrogen 2.648 N/A VAL 325.A N GLY 321.A O no hydrogen 3.071 N/A THR 326.A N THR 322.A O no hydrogen 3.029 N/A THR 326.A OG1 THR 322.A O no hydrogen 3.048 N/A THR 326.A OG1 GLU 323.A O no hydrogen 3.016 N/A ALA 327.A N GLU 323.A O no hydrogen 2.979 N/A ILE 328.A N TYR 324.A O no hydrogen 2.979 N/A ALA 329.A N VAL 325.A O no hydrogen 2.971 N/A ASN 330.A N THR 326.A O no hydrogen 2.925 N/A ASN 330.A ND2 THR 326.A O no hydrogen 3.055 N/A LEU 331.A N ALA 327.A O no hydrogen 3.013 N/A LYS 332.A N ILE 328.A O no hydrogen 2.775 N/A LYS 333.A N ALA 329.A O no hydrogen 3.249 N/A LYS 333.A N ASN 330.A O no hydrogen 3.359 N/A LYS 333.A NZ ASN 330.A OD1 no hydrogen 3.047 N/A CYS 334.A N LEU 331.A O no hydrogen 3.006 N/A SER 335.A N LYS 332.A O no hydrogen 3.073 N/A CYS 339.A SG PHE 341.A O no hydrogen 3.976 N/A