Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dsm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N LYS 313.A O no hydrogen 2.997 N/A LEU 4.A N TYR 22.A O no hydrogen 2.850 N/A PHE 5.A N CYS 311.A O no hydrogen 2.772 N/A ILE 6.A N SER 20.A O no hydrogen 2.941 N/A THR 7.A N ALA 309.A O no hydrogen 2.954 N/A THR 7.A OG1 ALA 309.A O no hydrogen 3.407 N/A ASN 8.A N THR 18.A O no hydrogen 2.868 N/A ASN 8.A ND2 THR 18.A O no hydrogen 3.116 N/A ASN 8.A ND2 SER 20.A OG no hydrogen 3.290 N/A GLU 9.A N ILE 306.A O no hydrogen 2.963 N/A GLY 10.A N ILE 305.A O no hydrogen 2.801 N/A ASN 11.A N ASN 16.A OD1 no hydrogen 2.639 N/A ASN 11.A ND2 TYR 282.A O no hydrogen 3.142 N/A GLN 13.A N ASP 44.A OD2 no hydrogen 3.048 N/A TYR 14.A N ASN 11.A O no hydrogen 2.945 N/A SER 15.A N ASP 44.A OD1 no hydrogen 2.611 N/A ASN 16.A ND2 ASN 11.A OD1 no hydrogen 3.052 N/A ALA 17.A N GLY 43.A O no hydrogen 3.311 N/A THR 18.A N ASN 8.A O no hydrogen 3.140 N/A SER 20.A N ILE 6.A O no hydrogen 2.927 N/A TYR 21.A N GLU 30.A O no hydrogen 2.910 N/A TYR 22.A N LEU 4.A O no hydrogen 2.767 N/A TYR 22.A OH ASP 299.A OD2 no hydrogen 2.873 N/A ASP 23.A N GLU 28.A O no hydrogen 2.963 N/A ALA 25.A N ASP 23.A OD1 no hydrogen 2.865 N/A THR 26.A N ASP 23.A O no hydrogen 3.188 N/A THR 26.A N ASP 23.A OD1 no hydrogen 3.327 N/A THR 26.A OG1 ASP 23.A O no hydrogen 3.431 N/A CYS 27.A N ASP 23.A O no hydrogen 2.670 N/A CYS 27.A SG TYR 22.A OH no hydrogen 3.642 N/A CYS 27.A SG PRO 24.A O no hydrogen 3.906 N/A GLU 30.A N TYR 21.A O no hydrogen 2.863 N/A ASN 31.A ND2 SER 20.A OG no hydrogen 2.613 N/A VAL 33.A N LEU 19.A O no hydrogen 2.972 N/A ARG 36.A N GLU 32.A O no hydrogen 2.988 N/A ALA 37.A N VAL 33.A O no hydrogen 3.127 N/A ALA 37.A N PHE 34.A O no hydrogen 3.211 N/A ASN 38.A N PHE 34.A O no hydrogen 2.869 N/A ASN 38.A ND2 PHE 34.A O no hydrogen 3.028 N/A ASN 38.A ND2 PHE 73.A O no hydrogen 3.013 N/A GLY 39.A N TYR 35.A O no hydrogen 2.721 N/A LYS 41.A NZ SER 15.A O no hydrogen 2.866 N/A ASP 44.A N SER 62.A OG no hydrogen 2.733 N/A GLN 47.A N VAL 58.A O no hydrogen 2.778 N/A SER 48.A OG ARG 86.A O no hydrogen 2.776 N/A ARG 51.A N ILE 54.A O no hydrogen 2.761 N/A ARG 51.A NE ASP 93.A OD1 no hydrogen 3.318 N/A ARG 51.A NH2 ASP 93.A OD1 no hydrogen 2.934 N/A ILE 54.A N ARG 51.A O no hydrogen 3.017 N/A GLY 55.A N ILE 68.A O no hydrogen 2.860 N/A TRP 56.A N VAL 49.A O no hydrogen 2.648 N/A ILE 57.A N PHE 66.A O no hydrogen 2.800 N/A VAL 58.A N SER 48.A O no hydrogen 2.867 N/A VAL 59.A N VAL 64.A O no hydrogen 3.043 N/A ASN 60.A ND2 PRO 85.A O no hydrogen 3.079 N/A ASN 61.A N ASP 44.A O no hydrogen 3.005 N/A ASN 61.A ND2 ASP 44.A OD2 no hydrogen 2.669 N/A SER 62.A N VAL 59.A O no hydrogen 3.143 N/A HIS 63.A ND1 PHE 82.A O no hydrogen 2.971 N/A HIS 63.A ND1 THR 83.A O no hydrogen 2.818 N/A ILE 65.A N ILE 79.A O no hydrogen 2.943 N/A PHE 66.A N ILE 57.A O no hydrogen 2.933 N/A ALA 67.A N GLY 77.A O no hydrogen 2.862 N/A ILE 68.A N GLY 55.A O no hydrogen 2.870 N/A ASP 69.A N LYS 74.A O no hydrogen 2.865 N/A ILE 70.A N GLY 53.A O no hydrogen 3.482 N/A ASN 71.A N ASP 69.A OD1 no hydrogen 2.759 N/A THR 72.A N ASP 69.A OD1 no hydrogen 2.904 N/A PHE 73.A N ASP 69.A O no hydrogen 2.643 N/A LYS 74.A N THR 72.A OG1 no hydrogen 3.325 N/A GLU 75.A N ASN 38.A OD1 no hydrogen 2.845 N/A VAL 76.A N ALA 67.A O no hydrogen 2.728 N/A GLY 77.A N ALA 67.A O no hydrogen 3.296 N/A ARG 78.A NE GLU 75.A OE2 no hydrogen 2.843 N/A ARG 78.A NH2 GLU 75.A OE1 no hydrogen 2.830 N/A ARG 78.A NH2 GLU 75.A OE2 no hydrogen 3.381 N/A ILE 79.A N ILE 65.A O no hydrogen 2.902 N/A THR 83.A OG1 ASP 103.A OD2 no hydrogen 2.513 N/A SER 84.A N GLN 100.A OE1 no hydrogen 2.928 N/A SER 84.A OG ASN 60.A O no hydrogen 3.518 N/A ARG 86.A N THR 99.A O no hydrogen 2.966 N/A ARG 86.A NE GLU 131.A OE1 no hydrogen 3.383 N/A ARG 86.A NE GLU 131.A OE2 no hydrogen 2.729 N/A ARG 86.A NH1 GLU 131.A OE1 no hydrogen 2.767 N/A ARG 86.A NH1 GLU 131.A OE2 no hydrogen 3.502 N/A TYR 87.A N THR 99.A OG1 no hydrogen 3.154 N/A TYR 87.A OH GLN 47.A OE1 no hydrogen 3.407 N/A HIS 89.A N TYR 97.A O no hydrogen 2.932 N/A HIS 89.A NE2 GLN 134.A OE1 no hydrogen 2.803 N/A LEU 91.A N LYS 95.A O no hydrogen 2.857 N/A SER 92.A N LYS 95.A O no hydrogen 3.011 N/A GLU 94.A N SER 92.A OG no hydrogen 3.071 N/A LYS 95.A N SER 92.A O no hydrogen 3.391 N/A LYS 95.A NZ THR 155.A O no hydrogen 2.739 N/A LYS 95.A NZ ASP 158.A OD1 no hydrogen 2.880 N/A LYS 95.A NZ ASP 158.A OD2 no hydrogen 3.436 N/A ALA 96.A N ILE 109.A O no hydrogen 3.126 N/A TYR 97.A N HIS 89.A O no hydrogen 2.809 N/A TYR 97.A OH ASP 158.A OD1 no hydrogen 2.563 N/A VAL 98.A N PHE 107.A O no hydrogen 2.744 N/A THR 99.A N TYR 87.A O no hydrogen 3.069 N/A THR 99.A OG1 TYR 87.A O no hydrogen 3.479 N/A THR 99.A OG1 GLU 131.A O no hydrogen 2.605 N/A GLN 100.A N THR 130.A OG1 no hydrogen 3.041 N/A GLN 100.A NE2 VAL 98.A O no hydrogen 3.176 N/A ILE 101.A N SER 84.A O no hydrogen 3.067 N/A TRP 102.A N GLY 128.A O no hydrogen 2.934 N/A ARG 105.A N ASP 103.A OD1 no hydrogen 2.884 N/A ARG 105.A NE ASP 103.A OD1 no hydrogen 2.960 N/A ARG 105.A NH2 ASP 103.A OD2 no hydrogen 2.950 N/A ILE 106.A N ILE 120.A O no hydrogen 2.845 N/A PHE 107.A N VAL 98.A O no hydrogen 2.986 N/A ILE 108.A N GLY 118.A O no hydrogen 2.910 N/A ILE 109.A N ALA 96.A O no hydrogen 2.945 N/A ASN 110.A N GLU 115.A O no hydrogen 2.945 N/A LYS 112.A NZ GLU 94.A OE1 no hydrogen 2.884 N/A THR 113.A N ASN 110.A O no hydrogen 3.066 N/A THR 113.A N ASN 110.A OD1 no hydrogen 3.149 N/A THR 113.A OG1 ASN 110.A O no hydrogen 3.235 N/A THR 117.A N ILE 108.A O no hydrogen 2.800 N/A THR 117.A OG1 ILE 108.A O no hydrogen 3.363 N/A GLY 118.A N ILE 108.A O no hydrogen 3.244 N/A ILE 120.A N ILE 106.A O no hydrogen 2.855 N/A CYS 122.A N TYR 104.A O no hydrogen 2.830 N/A SER 127.A N ASP 125.A OD1 no hydrogen 2.977 N/A SER 127.A OG ASP 125.A OD1 no hydrogen 3.491 N/A THR 130.A N GLN 100.A O no hydrogen 2.960 N/A THR 130.A OG1 GLN 100.A O no hydrogen 3.292 N/A GLU 131.A N ASN 142.A O no hydrogen 2.749 N/A GLN 132.A N ASN 142.A OD1 no hydrogen 2.885 N/A GLN 132.A NE2 LEU 173.A O no hydrogen 3.392 N/A GLN 134.A NE2 GLY 136.A O no hydrogen 2.957 N/A TYR 135.A N TYR 138.A O no hydrogen 2.739 N/A TYR 135.A OH GLU 205.A OE1 no hydrogen 2.409 N/A TYR 138.A N TYR 135.A O no hydrogen 2.903 N/A VAL 139.A N ILE 153.A O no hydrogen 2.843 N/A TYR 140.A N VAL 133.A O no hydrogen 2.815 N/A TYR 140.A OH ALA 204.A O no hydrogen 2.553 N/A VAL 141.A N LEU 151.A O no hydrogen 2.976 N/A ASN 142.A N GLN 132.A O no hydrogen 3.154 N/A ASN 142.A ND2 PRO 170.A O no hydrogen 2.854 N/A CYS 143.A N ARG 149.A O no hydrogen 2.995 N/A TRP 144.A NE1 ASP 184.A OD1 no hydrogen 2.725 N/A SER 145.A N SER 129.A OG no hydrogen 2.922 N/A TYR 146.A N GLN 169.A OE1 no hydrogen 3.147 N/A TYR 146.A OH TYR 187.A OH no hydrogen 3.171 N/A GLN 147.A N TRP 144.A O no hydrogen 3.248 N/A GLN 147.A NE2 SER 127.A O no hydrogen 2.819 N/A ARG 149.A NH1 PRO 123.A O no hydrogen 2.809 N/A ARG 149.A NH2 PRO 123.A O no hydrogen 2.845 N/A ARG 149.A NH2 GLU 163.A OE1 no hydrogen 2.837 N/A ILE 150.A N LEU 164.A O no hydrogen 2.897 N/A LEU 151.A N VAL 141.A O no hydrogen 2.807 N/A LYS 152.A N ASP 162.A O no hydrogen 2.864 N/A ILE 153.A N VAL 139.A O no hydrogen 2.740 N/A ASP 154.A N LYS 159.A O no hydrogen 2.920 N/A THR 155.A N LYS 137.A O no hydrogen 2.925 N/A THR 155.A OG1 LYS 137.A O no hydrogen 2.569 N/A GLU 156.A N ASP 154.A OD1 no hydrogen 2.786 N/A THR 157.A N ASP 154.A O no hydrogen 3.063 N/A THR 157.A OG1 ASP 154.A O no hydrogen 3.429 N/A ASP 158.A N ASP 154.A O no hydrogen 2.630 N/A VAL 161.A N LYS 152.A O no hydrogen 2.807 N/A GLU 163.A N ASP 162.A OD2 no hydrogen 2.824 N/A LEU 164.A N ILE 150.A O no hydrogen 2.991 N/A ILE 166.A N ASN 148.A O no hydrogen 2.891 N/A ILE 168.A N GLU 195.A OE1 no hydrogen 2.962 N/A GLN 169.A N GLN 147.A O no hydrogen 2.732 N/A GLN 169.A NE2 ASP 184.A OD1 no hydrogen 3.474 N/A GLN 169.A NE2 ASP 184.A OD2 no hydrogen 2.975 N/A THR 171.A N ILE 182.A O no hydrogen 2.824 N/A THR 171.A OG1 SER 172.A OG no hydrogen 3.115 N/A THR 171.A OG1 ILE 182.A O no hydrogen 2.710 N/A SER 172.A OG THR 171.A OG1 no hydrogen 3.115 N/A VAL 174.A N TRP 180.A O no hydrogen 3.081 N/A LYS 176.A N ARG 230.A O no hydrogen 2.989 N/A LYS 176.A NZ ASP 231.A OD2 no hydrogen 3.118 N/A TYR 177.A N ASP 175.A OD1 no hydrogen 2.783 N/A TYR 177.A OH GLU 245.A OE2 no hydrogen 2.495 N/A ASN 178.A N ASP 175.A O no hydrogen 3.101 N/A LYS 179.A N ASP 175.A OD1 no hydrogen 3.033 N/A LYS 179.A NZ ASP 203.A OD1 no hydrogen 2.771 N/A LYS 179.A NZ GLU 210.A OE2 no hydrogen 3.359 N/A TRP 180.A NE1 ASP 175.A OD2 no hydrogen 2.733 N/A THR 181.A N TYR 200.A O no hydrogen 3.159 N/A THR 181.A OG1 SER 172.A O no hydrogen 2.684 N/A THR 183.A N SER 198.A O no hydrogen 3.070 N/A ASP 184.A N GLN 169.A O no hydrogen 3.233 N/A GLY 186.A N ASP 184.A OD2 no hydrogen 2.860 N/A TYR 187.A OH TYR 146.A OH no hydrogen 3.171 N/A SER 190.A N TYR 187.A O no hydrogen 3.053 N/A SER 190.A OG GLY 193.A O no hydrogen 3.424 N/A TYR 192.A N SER 190.A OG no hydrogen 3.224 N/A GLY 193.A N SER 190.A OG no hydrogen 3.363 N/A GLU 195.A N GLY 185.A O no hydrogen 3.077 N/A SER 198.A N THR 183.A OG1 no hydrogen 3.092 N/A LEU 199.A N PHE 213.A O no hydrogen 2.771 N/A TYR 200.A N THR 181.A O no hydrogen 2.780 N/A ARG 201.A N LYS 211.A O no hydrogen 2.971 N/A ARG 201.A NE GLU 210.A OE1 no hydrogen 3.142 N/A ARG 201.A NH1 GLU 210.A OE1 no hydrogen 2.895 N/A ASP 203.A N THR 208.A O no hydrogen 2.838 N/A ALA 204.A N ASN 178.A O no hydrogen 3.136 N/A THR 206.A N ASP 203.A OD2 no hydrogen 2.996 N/A THR 206.A OG1 ASP 203.A OD2 no hydrogen 2.867 N/A THR 206.A OG1 THR 208.A OG1 no hydrogen 2.627 N/A THR 208.A OG1 THR 206.A OG1 no hydrogen 2.627 N/A GLU 210.A N ARG 201.A O no hydrogen 2.772 N/A LYS 211.A N ARG 201.A O no hydrogen 3.290 N/A LYS 211.A NZ ALA 246.A O no hydrogen 3.346 N/A LYS 211.A NZ ASP 247.A OD1 no hydrogen 2.581 N/A PHE 213.A N LEU 199.A O no hydrogen 2.834 N/A PHE 215.A N PRO 197.A O no hydrogen 2.720 N/A LYS 216.A N ASP 219.A OD2 no hydrogen 3.281 N/A ASP 219.A N LYS 216.A O no hydrogen 3.180 N/A SER 222.A N ILE 236.A O no hydrogen 2.905 N/A VAL 224.A N SER 172.A OG no hydrogen 3.043 N/A GLN 225.A N TYR 234.A O no hydrogen 2.723 N/A GLN 225.A NE2 GLU 223.A OE1 no hydrogen 3.430 N/A ASN 227.A N THR 232.A O no hydrogen 3.210 N/A ASN 227.A ND2 ASP 231.A OD1 no hydrogen 3.186 N/A THR 229.A OG1 ASP 231.A OD1 no hydrogen 2.668 N/A THR 229.A OG1 ASP 231.A OD2 no hydrogen 3.036 N/A ARG 230.A N ASN 227.A O no hydrogen 2.984 N/A ASP 231.A N ASN 227.A OD1 no hydrogen 3.075 N/A THR 232.A N ASN 227.A OD1 no hydrogen 3.089 N/A TYR 234.A N GLN 225.A O no hydrogen 2.687 N/A TRP 235.A N TRP 241.A O no hydrogen 3.035 N/A ILE 236.A N SER 222.A O no hydrogen 2.857 N/A ASN 237.A N ASP 239.A O no hydrogen 2.976 N/A ASP 239.A N ASN 237.A O no hydrogen 2.549 N/A ILE 240.A N LEU 255.A O no hydrogen 2.819 N/A TRP 241.A N TRP 235.A O no hydrogen 2.920 N/A TRP 241.A NE1 ASN 237.A O no hydrogen 2.974 N/A ARG 242.A NH1 PRO 293.A O no hydrogen 3.211 N/A ARG 242.A NH2 TYR 234.A OH no hydrogen 3.070 N/A ARG 242.A NH2 PRO 293.A O no hydrogen 2.798 N/A VAL 244.A N ASP 231.A O no hydrogen 2.993 N/A GLU 245.A N GLU 245.A OE1 no hydrogen 2.918 N/A ALA 246.A N PRO 243.A O no hydrogen 3.078 N/A ARG 252.A NH1 GLU 256.A OE1 no hydrogen 2.718 N/A ARG 252.A NH2 GLU 256.A OE1 no hydrogen 2.631 N/A PHE 254.A N ILE 240.A O no hydrogen 2.741 N/A LEU 255.A N ILE 240.A O no hydrogen 3.078 N/A PHE 257.A N ASP 239.A OD1 no hydrogen 2.640 N/A ARG 258.A NH2 TYR 291.A OH no hydrogen 2.715 N/A THR 260.A OG1 ASP 278.A OD1 no hydrogen 3.333 N/A THR 260.A OG1 ASP 278.A OD2 no hydrogen 2.656 N/A LYS 261.A N ASP 278.A OD1 no hydrogen 2.977 N/A TYR 262.A OH GLU 256.A O no hydrogen 2.740 N/A TYR 263.A N ALA 277.A O no hydrogen 2.769 N/A TYR 263.A OH GLU 9.A OE1 no hydrogen 3.334 N/A TYR 263.A OH GLU 9.A OE2 no hydrogen 2.564 N/A GLY 264.A N ALA 277.A O no hydrogen 3.078 N/A THR 266.A N TYR 275.A O no hydrogen 3.041 N/A ASN 268.A N GLU 273.A O no hydrogen 2.726 N/A ASN 270.A N ASN 268.A OD1 no hydrogen 2.719 N/A ASN 271.A N ASN 268.A OD1 no hydrogen 3.038 N/A GLY 272.A N ASN 268.A O no hydrogen 2.897 N/A GLU 273.A N ASN 271.A OD1 no hydrogen 2.878 N/A VAL 274.A N TYR 291.A O no hydrogen 2.841 N/A TYR 275.A N THR 266.A O no hydrogen 2.862 N/A VAL 276.A N TYR 289.A O no hydrogen 2.862 N/A ALA 277.A N GLY 264.A O no hydrogen 2.882 N/A ASP 278.A N ILE 287.A O no hydrogen 2.803 N/A ALA 279.A N LYS 261.A O no hydrogen 2.819 N/A ILE 280.A N ASP 278.A OD1 no hydrogen 2.817 N/A TYR 282.A N ALA 279.A O no hydrogen 2.929 N/A GLN 283.A N ASP 281.A OD1 no hydrogen 2.914 N/A GLN 284.A N ASP 281.A OD1 no hydrogen 3.001 N/A GLN 284.A NE2 ASP 281.A OD2 no hydrogen 2.990 N/A GLN 285.A NE2 VAL 303.A O no hydrogen 2.812 N/A GLY 286.A N GLY 304.A O no hydrogen 2.727 N/A ILE 287.A N ASP 278.A O no hydrogen 3.085 N/A VAL 288.A N PHE 301.A O no hydrogen 2.860 N/A TYR 289.A N VAL 276.A O no hydrogen 2.864 N/A ARG 290.A N ASP 299.A O no hydrogen 2.795 N/A ARG 290.A NE GLU 273.A OE1 no hydrogen 2.688 N/A ARG 290.A NH1 TYR 22.A OH no hydrogen 2.927 N/A ARG 290.A NH1 PRO 24.A O no hydrogen 2.876 N/A ARG 290.A NH2 PRO 24.A O no hydrogen 3.545 N/A ARG 290.A NH2 GLU 273.A OE1 no hydrogen 2.850 N/A TYR 291.A N VAL 274.A O no hydrogen 2.817 N/A SER 292.A N LYS 296.A O no hydrogen 2.833 N/A SER 292.A OG GLN 294.A OE1 no hydrogen 3.215 N/A GLN 294.A N SER 292.A OG no hydrogen 3.289 N/A GLY 295.A N SER 292.A O no hydrogen 2.734 N/A LYS 296.A N SER 292.A OG no hydrogen 3.052 N/A ILE 298.A N ARG 290.A O no hydrogen 2.724 N/A ASP 299.A N ARG 290.A O no hydrogen 3.259 N/A PHE 301.A N VAL 288.A O no hydrogen 2.974 N/A VAL 303.A N GLY 286.A O no hydrogen 2.954 N/A GLY 304.A N ASN 8.A OD1 no hydrogen 2.887 N/A GLY 308.A N THR 7.A O no hydrogen 3.195 N/A CYS 311.A N PHE 5.A O no hydrogen 3.018 N/A TRP 312.A NE1 THR 266.A OG1 no hydrogen 3.078 N/A LYS 313.A N GLY 3.A O no hydrogen 2.860 N/A LYS 313.A NZ ALA 1.A O no hydrogen 3.107 N/A LYS 313.A NZ TYR 21.A OH no hydrogen 3.089 N/A LYS 313.A NZ ASN 71.A OD1 no hydrogen 3.510 N/A HIS 316.A ND1 LEU 314.A O no hydrogen 2.896 N/A