Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ddo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 29.A O no hydrogen 2.262 N/A VAL 3.A N ASP 31.A O no hydrogen 2.583 N/A VAL 4.A N VAL 177.A O no hydrogen 3.310 N/A VAL 5.A N LYS 33.A O no hydrogen 2.753 N/A ILE 6.A N ILE 179.A O no hydrogen 2.837 N/A GLY 7.A N TYR 35.A O no hydrogen 2.734 N/A VAL 10.A N THR 45.A OG1 no hydrogen 2.893 N/A LEU 13.A N GLY 9.A O no hydrogen 3.199 N/A SER 14.A N VAL 10.A O no hydrogen 2.987 N/A SER 14.A OG VAL 10.A O no hydrogen 2.394 N/A SER 14.A OG ILE 11.A O no hydrogen 3.346 N/A THR 15.A N ILE 11.A O no hydrogen 2.955 N/A THR 15.A OG1 ILE 11.A O no hydrogen 2.587 N/A ALA 16.A N GLY 12.A O no hydrogen 2.500 N/A LEU 17.A N LEU 13.A O no hydrogen 2.886 N/A CYS 18.A N SER 14.A O no hydrogen 2.512 N/A ILE 19.A N THR 15.A O no hydrogen 2.779 N/A HIS 20.A N ALA 16.A O no hydrogen 2.770 N/A GLU 21.A N LEU 17.A O no hydrogen 2.610 N/A ARG 22.A N CYS 18.A O no hydrogen 3.102 N/A TYR 23.A N ILE 19.A O no hydrogen 2.981 N/A ASP 31.A N MET 1.A O no hydrogen 2.797 N/A LYS 33.A N VAL 3.A O no hydrogen 3.058 N/A VAL 34.A N LYS 158.A O no hydrogen 2.750 N/A TYR 35.A N VAL 5.A O no hydrogen 2.752 N/A ALA 36.A N PHE 160.A O no hydrogen 3.052 N/A ARG 38.A NH1 GLU 249.A OE1 no hydrogen 3.553 N/A ARG 38.A NH2 GLU 249.A OE2 no hydrogen 3.534 N/A THR 40.A OG1 ASP 46.A OD1 no hydrogen 2.382 N/A PHE 42.A N PHE 39.A O no hydrogen 2.425 N/A THR 43.A N ASP 46.A OD2 no hydrogen 2.610 N/A THR 43.A OG1 ASP 46.A OD2 no hydrogen 2.706 N/A ASP 46.A N THR 43.A OG1 no hydrogen 2.821 N/A VAL 47.A N THR 44.A O no hydrogen 2.648 N/A ALA 48.A N THR 45.A O no hydrogen 2.827 N/A TRP 52.A N LEU 137.A O no hydrogen 2.980 N/A GLN 53.A N THR 317.A OG1 no hydrogen 3.198 N/A GLN 53.A NE2 ASN 96.A OD1 no hydrogen 2.663 N/A ASN 61.A ND2 SER 60.A OG no hydrogen 2.599 N/A GLU 64.A N ASN 61.A O no hydrogen 2.876 N/A TRP 67.A N GLN 63.A O no hydrogen 3.291 N/A ASN 68.A N GLU 64.A O no hydrogen 2.803 N/A ASN 68.A ND2 TYR 106.A OH no hydrogen 2.894 N/A GLN 69.A N ALA 65.A O no hydrogen 2.752 N/A GLN 70.A N ASN 66.A O no hydrogen 2.765 N/A THR 71.A N TRP 67.A O no hydrogen 2.942 N/A THR 71.A OG1 TRP 67.A O no hydrogen 3.057 N/A PHE 72.A N ASN 68.A O no hydrogen 2.934 N/A ASN 73.A N GLN 69.A O no hydrogen 2.938 N/A TYR 74.A N GLN 70.A O no hydrogen 2.945 N/A LEU 75.A N THR 71.A O no hydrogen 2.822 N/A LEU 76.A N PHE 72.A O no hydrogen 2.696 N/A SER 77.A N ASN 73.A O no hydrogen 2.796 N/A SER 77.A OG ASN 73.A O no hydrogen 3.515 N/A SER 77.A OG TYR 74.A O no hydrogen 2.458 N/A SER 77.A OG HIS 78.A ND1 no hydrogen 3.189 N/A HIS 78.A N LEU 75.A O no hydrogen 2.679 N/A HIS 78.A ND1 TYR 74.A O no hydrogen 2.690 N/A ILE 79.A N LEU 76.A O no hydrogen 2.701 N/A SER 81.A N HIS 78.A O no hydrogen 3.130 N/A ASN 83.A N SER 81.A OG no hydrogen 2.642 N/A MET 87.A N ASN 83.A O no hydrogen 2.652 N/A GLY 88.A N ALA 85.A O no hydrogen 2.831 N/A LEU 89.A N ALA 84.A O no hydrogen 2.619 N/A THR 90.A N ILE 138.A O no hydrogen 3.050 N/A VAL 92.A N SER 136.A O no hydrogen 2.767 N/A SER 93.A OG THR 135.A OG1 no hydrogen 2.883 N/A GLY 94.A N ASN 134.A O no hydrogen 2.865 N/A TYR 95.A N PHE 213.A O no hydrogen 2.878 N/A ASN 96.A N TRP 132.A O no hydrogen 3.069 N/A ASN 96.A ND2 GLN 53.A OE1 no hydrogen 3.346 N/A LEU 97.A N ILE 215.A O no hydrogen 2.850 N/A PHE 98.A N TYR 130.A O no hydrogen 2.718 N/A TRP 107.A NE1 TYR 55.A O no hydrogen 3.173 N/A LYS 108.A N PRO 105.A O no hydrogen 2.944 N/A LYS 108.A NZ ASP 104.A OD2 no hydrogen 2.361 N/A MET 110.A N TRP 107.A O no hydrogen 2.496 N/A VAL 111.A N TRP 107.A O no hydrogen 3.360 N/A LEU 112.A N THR 135.A O no hydrogen 3.181 N/A ARG 115.A N PHE 133.A O no hydrogen 2.897 N/A ARG 115.A NH1 LYS 116.A O no hydrogen 3.516 N/A ARG 115.A NH1 GLU 121.A OE1 no hydrogen 2.401 N/A ARG 115.A NH1 GLU 121.A OE2 no hydrogen 3.345 N/A ARG 115.A NH2 GLU 121.A OE2 no hydrogen 2.683 N/A LEU 117.A N GLY 131.A O no hydrogen 2.862 N/A THR 118.A N GLU 121.A OE1 no hydrogen 2.928 N/A GLU 121.A N THR 118.A OG1 no hydrogen 3.127 N/A LEU 122.A N THR 118.A O no hydrogen 2.802 N/A ASP 123.A N PRO 119.A O no hydrogen 2.802 N/A ASP 123.A N ARG 120.A O no hydrogen 3.058 N/A MET 124.A N GLU 121.A O no hydrogen 2.542 N/A PHE 125.A N LEU 122.A O no hydrogen 2.725 N/A ARG 129.A N PHE 98.A O no hydrogen 2.791 N/A TYR 130.A N PHE 98.A O no hydrogen 3.181 N/A TRP 132.A N ASN 96.A O no hydrogen 2.940 N/A PHE 133.A N ARG 115.A O no hydrogen 2.788 N/A ASN 134.A N GLY 94.A O no hydrogen 3.119 N/A THR 135.A N LEU 112.A O no hydrogen 2.769 N/A THR 135.A OG1 SER 93.A OG no hydrogen 2.883 N/A THR 135.A OG1 LEU 112.A O no hydrogen 3.351 N/A SER 136.A N VAL 92.A O no hydrogen 2.682 N/A SER 136.A OG TRP 52.A O no hydrogen 2.879 N/A LEU 137.A N SER 136.A OG no hydrogen 2.371 N/A ILE 138.A N THR 90.A O no hydrogen 2.970 N/A LEU 139.A N GLY 50.A O no hydrogen 2.771 N/A GLU 140.A N GLY 88.A O no hydrogen 2.892 N/A ARG 142.A NH1 THR 40.A OG1 no hydrogen 2.525 N/A TYR 144.A N GLU 140.A O no hydrogen 2.761 N/A TYR 144.A OH HIS 319.A NE2 no hydrogen 2.662 N/A LEU 145.A N GLY 141.A O no hydrogen 2.659 N/A GLN 146.A N ARG 142.A O no hydrogen 3.037 N/A TRP 147.A N LYS 143.A O no hydrogen 2.918 N/A LEU 148.A N TYR 144.A O no hydrogen 2.842 N/A THR 149.A N LEU 145.A O no hydrogen 2.723 N/A THR 149.A OG1 LEU 145.A O no hydrogen 2.846 N/A GLU 150.A N GLN 146.A O no hydrogen 2.933 N/A ARG 151.A N TRP 147.A O no hydrogen 2.743 N/A ARG 151.A NE GLU 154.A OE1 no hydrogen 3.239 N/A LEU 152.A N LEU 148.A O no hydrogen 2.695 N/A THR 153.A N THR 149.A O no hydrogen 2.701 N/A THR 153.A OG1 THR 149.A O no hydrogen 2.977 N/A GLU 154.A N GLU 150.A O no hydrogen 2.835 N/A ARG 155.A N ARG 151.A O no hydrogen 2.971 N/A GLY 156.A N THR 153.A O no hydrogen 2.765 N/A VAL 157.A N LEU 152.A O no hydrogen 3.014 N/A LYS 158.A N VAL 32.A O no hydrogen 3.430 N/A PHE 160.A N VAL 34.A O no hydrogen 2.781 N/A ARG 162.A N ALA 36.A O no hydrogen 2.835 N/A GLU 165.A N GLU 169.A OE1 no hydrogen 2.389 N/A SER 166.A N GLU 169.A OE1 no hydrogen 3.419 N/A GLU 169.A N SER 166.A OG no hydrogen 2.891 N/A VAL 170.A N SER 166.A O no hydrogen 3.344 N/A ALA 171.A N PHE 167.A O no hydrogen 2.758 N/A ARG 172.A N GLU 168.A O no hydrogen 2.301 N/A GLY 173.A N GLU 169.A O no hydrogen 2.669 N/A GLY 174.A N VAL 170.A O no hydrogen 3.062 N/A ALA 175.A N VAL 170.A O no hydrogen 3.213 N/A ASP 176.A N ARG 2.A O no hydrogen 2.794 N/A VAL 177.A N ARG 2.A O no hydrogen 3.186 N/A ILE 179.A N VAL 4.A O no hydrogen 2.762 N/A ASN 180.A N ILE 306.A O no hydrogen 2.817 N/A CYS 181.A N ILE 6.A O no hydrogen 2.838 N/A THR 182.A OG1 ASN 180.A OD1 no hydrogen 2.604 N/A ALA 186.A N GLY 183.A O no hydrogen 2.770 N/A LEU 189.A N ALA 186.A O no hydrogen 3.080 N/A GLN 190.A N ALA 186.A O no hydrogen 3.411 N/A GLN 190.A N GLY 187.A O no hydrogen 2.878 N/A GLN 190.A NE2 GLU 294.A OE1 no hydrogen 2.961 N/A LEU 194.A N ASP 192.A OD1 no hydrogen 2.686 N/A LEU 195.A N ASP 192.A O no hydrogen 3.180 N/A GLN 196.A N VAL 285.A O no hydrogen 2.666 N/A GLY 198.A N ARG 283.A O no hydrogen 2.783 N/A ARG 199.A N GLN 243.A O no hydrogen 2.951 N/A ARG 199.A NE ASN 248.A O no hydrogen 2.753 N/A ARG 199.A NH1 GLN 243.A OE1 no hydrogen 2.619 N/A ARG 199.A NH1 ASP 255.A OD2 no hydrogen 2.948 N/A ARG 199.A NH2 ILE 250.A O no hydrogen 2.794 N/A GLY 200.A N GLY 281.A O no hydrogen 2.842 N/A GLN 201.A N THR 241.A OG1 no hydrogen 3.299 N/A ILE 202.A N TYR 279.A O no hydrogen 2.624 N/A ILE 203.A N LEU 238.A O no hydrogen 2.910 N/A LYS 204.A N GLY 277.A O no hydrogen 2.581 N/A VAL 205.A N VAL 236.A O no hydrogen 2.747 N/A ASP 206.A N LYS 274.A O no hydrogen 2.665 N/A TRP 209.A NE1 THR 269.A OG1 no hydrogen 2.577 N/A LEU 210.A N ALA 207.A O no hydrogen 2.922 N/A LYS 211.A NZ PRO 208.A O no hydrogen 3.089 N/A PHE 213.A N SER 93.A O no hydrogen 3.179 N/A ILE 214.A N ILE 229.A O no hydrogen 2.959 N/A ILE 215.A N TYR 95.A O no hydrogen 2.804 N/A THR 216.A N PRO 227.A O no hydrogen 3.365 N/A THR 216.A OG1 TYR 128.A OH no hydrogen 2.956 N/A HIS 217.A N LEU 97.A O no hydrogen 2.953 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 3.331 N/A ARG 221.A NH1 ARG 221.A O no hydrogen 3.514 N/A ARG 221.A NH1 SER 226.A OG no hydrogen 3.391 N/A TYR 228.A N GLY 239.A O no hydrogen 2.955 N/A ILE 229.A N ILE 214.A O no hydrogen 2.797 N/A ILE 230.A N THR 237.A O no hydrogen 2.869 N/A GLY 232.A N ALA 235.A O no hydrogen 2.819 N/A LEU 233.A N GLU 140.A OE1 no hydrogen 3.392 N/A VAL 236.A N VAL 205.A O no hydrogen 2.841 N/A THR 237.A N ILE 230.A O no hydrogen 2.989 N/A LEU 238.A N ILE 203.A O no hydrogen 2.736 N/A GLY 239.A N TYR 228.A O no hydrogen 2.760 N/A THR 241.A OG1 ARG 199.A O no hydrogen 3.378 N/A GLN 243.A N ARG 199.A O no hydrogen 2.856 N/A GLN 243.A NE2 ASP 255.A OD2 no hydrogen 2.973 N/A GLY 245.A N PRO 197.A O no hydrogen 2.612 N/A ASN 246.A N GLN 243.A O no hydrogen 3.320 N/A ASN 248.A N ASN 246.A OD1 no hydrogen 2.261 N/A ASN 248.A ND2 ILE 250.A O no hydrogen 3.173 N/A ILE 250.A N ASN 248.A OD1 no hydrogen 3.082 N/A ASN 251.A ND2 GLU 278.A O no hydrogen 3.441 N/A ASP 255.A N ASN 252.A OD1 no hydrogen 2.431 N/A HIS 256.A N ASN 252.A O no hydrogen 3.000 N/A HIS 256.A ND1 GLU 278.A OE2 no hydrogen 1.907 N/A ASN 257.A N ILE 253.A O no hydrogen 2.679 N/A THR 258.A N GLN 254.A O no hydrogen 2.637 N/A ILE 259.A N ASP 255.A O no hydrogen 2.753 N/A TRP 260.A N HIS 256.A O no hydrogen 2.831 N/A GLU 261.A N ASN 257.A O no hydrogen 2.872 N/A GLY 262.A N THR 258.A O no hydrogen 2.843 N/A CYS 263.A N ILE 259.A O no hydrogen 2.947 N/A CYS 263.A SG TYR 228.A O no hydrogen 3.512 N/A CYS 263.A SG GLY 239.A O no hydrogen 3.589 N/A CYS 263.A SG ILE 259.A O no hydrogen 3.523 N/A CYS 264.A N TRP 260.A O no hydrogen 2.954 N/A ARG 265.A N GLU 261.A O no hydrogen 3.067 N/A ARG 265.A N GLY 262.A O no hydrogen 3.137 N/A LEU 266.A N GLY 262.A O no hydrogen 3.063 N/A GLU 267.A N CYS 263.A O no hydrogen 2.693 N/A THR 269.A N GLU 267.A OE1 no hydrogen 3.310 N/A THR 269.A OG1 GLU 267.A OE1 no hydrogen 2.883 N/A LEU 270.A N GLU 267.A O no hydrogen 2.772 N/A LYS 271.A N PRO 268.A O no hydrogen 3.143 N/A ASP 272.A N THR 269.A O no hydrogen 2.935 N/A ALA 273.A N LEU 270.A O no hydrogen 2.628 N/A LYS 274.A N ASP 206.A O no hydrogen 3.342 N/A VAL 276.A N LYS 204.A O no hydrogen 2.581 N/A GLY 277.A N LYS 204.A O no hydrogen 3.225 N/A TYR 279.A N ILE 202.A O no hydrogen 2.747 N/A GLY 281.A N GLY 200.A O no hydrogen 2.702 N/A ARG 283.A N GLY 198.A O no hydrogen 2.594 N/A ARG 283.A NH1 GLY 198.A O no hydrogen 3.337 N/A ARG 283.A NH1 THR 241.A O no hydrogen 3.027 N/A ARG 283.A NH2 THR 241.A O no hydrogen 3.158 N/A VAL 285.A N GLN 196.A O no hydrogen 2.808 N/A ARG 286.A NE ASP 192.A OD2 no hydrogen 2.510 N/A ARG 286.A NH1 GLN 288.A O no hydrogen 3.132 N/A ARG 286.A NH2 ASP 192.A OD1 no hydrogen 3.502 N/A ARG 286.A NH2 ASP 192.A OD2 no hydrogen 2.839 N/A VAL 289.A N GLU 64.A OE2 no hydrogen 2.945 N/A ARG 290.A N TYR 309.A O no hydrogen 2.713 N/A ARG 290.A NE GLU 292.A OE2 no hydrogen 2.764 N/A ARG 290.A NH1 GLN 190.A OE1 no hydrogen 2.910 N/A ARG 290.A NH1 TYR 309.A OH no hydrogen 3.151 N/A ARG 290.A NH2 GLN 190.A OE1 no hydrogen 3.303 N/A ARG 290.A NH2 GLU 294.A OE2 no hydrogen 3.507 N/A GLU 292.A N HIS 307.A O no hydrogen 3.177 N/A ARG 293.A NE GLU 304.A OE1 no hydrogen 3.142 N/A GLU 294.A N VAL 305.A O no hydrogen 2.651 N/A LEU 296.A N THR 303.A O no hydrogen 2.969 N/A ARG 297.A NH2 GLN 295.A OE1 no hydrogen 2.443 N/A PHE 298.A N SER 301.A O no hydrogen 3.226 N/A SER 301.A N PHE 298.A O no hydrogen 3.005 N/A THR 303.A N LEU 296.A O no hydrogen 3.246 N/A GLU 304.A N ASP 176.A O no hydrogen 3.153 N/A VAL 305.A N GLU 294.A O no hydrogen 2.827 N/A ILE 306.A N ILE 178.A O no hydrogen 2.784 N/A HIS 307.A N GLU 292.A O no hydrogen 2.769 N/A ASN 308.A N ASN 180.A O no hydrogen 3.016 N/A TYR 309.A N ARG 290.A O no hydrogen 2.910 N/A TYR 309.A OH ASP 192.A OD2 no hydrogen 2.578 N/A GLY 312.A N PRO 284.A O no hydrogen 2.764 N/A TYR 314.A N HIS 311.A O no hydrogen 3.001 N/A ILE 318.A N TYR 314.A O no hydrogen 2.899 N/A ILE 318.A N GLY 315.A O no hydrogen 3.122 N/A HIS 319.A N LEU 316.A O no hydrogen 3.327 N/A HIS 319.A ND1 LEU 316.A O no hydrogen 2.716 N/A HIS 319.A NE2 TYR 144.A OH no hydrogen 2.662 N/A GLY 321.A N THR 71.A OG1 no hydrogen 3.094 N/A GLY 321.A N ILE 318.A O no hydrogen 3.109 N/A CYS 322.A SG HIS 311.A NE2 no hydrogen 3.423 N/A CYS 322.A SG ILE 318.A O no hydrogen 3.804 N/A ALA 323.A N HIS 319.A O no hydrogen 3.105 N/A LEU 324.A N TRP 320.A O no hydrogen 2.864 N/A GLU 325.A N GLY 321.A O no hydrogen 2.755 N/A VAL 326.A N CYS 322.A O no hydrogen 2.749 N/A ALA 327.A N ALA 323.A O no hydrogen 3.036 N/A LYS 328.A N LEU 324.A O no hydrogen 3.007 N/A LEU 329.A N GLU 325.A O no hydrogen 3.000 N/A PHE 330.A N VAL 326.A O no hydrogen 2.623 N/A GLY 331.A N ALA 327.A O no hydrogen 2.715 N/A GLY 331.A N LYS 328.A O no hydrogen 2.770 N/A LYS 332.A N LYS 328.A O no hydrogen 2.995 N/A VAL 333.A N LEU 329.A O no hydrogen 2.731 N/A LEU 334.A N PHE 330.A O no hydrogen 2.893 N/A GLU 335.A N GLY 331.A O no hydrogen 2.495 N/A GLU 336.A N LYS 332.A O no hydrogen 2.819 N/A ARG 337.A N VAL 333.A O no hydrogen 3.342 N/A ARG 337.A N LEU 334.A O no hydrogen 3.003 N/A ARG 337.A NE LEU 339.A O no hydrogen 2.524 N/A ASN 338.A N GLU 335.A O no hydrogen 2.583 N/A LEU 339.A N LEU 334.A O no hydrogen 2.944 N/A