Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N GLN 9.A OE1 no hydrogen 3.185 N/A SER 6.A N GLN 9.A OE1 no hydrogen 3.185 N/A GLN 9.A N SER 6.A O no hydrogen 3.027 N/A ALA 10.A N LEU 7.A O no hydrogen 2.713 N/A GLY 12.A N ASN 45.A OD1 no hydrogen 2.853 N/A ASN 13.A N GLU 166.A OE2 no hydrogen 2.956 N/A THR 14.A OG1 GLU 42.A OE2 no hydrogen 2.788 N/A VAL 17.A N ALA 39.A O no hydrogen 2.875 N/A LEU 19.A N LEU 37.A O no hydrogen 2.766 N/A LEU 22.A N GLU 241.A OE2 no hydrogen 2.733 N/A SER 23.A N LEU 19.A O no hydrogen 2.793 N/A SER 23.A OG LEU 19.A O no hydrogen 2.781 N/A ARG 25.A N VAL 35.A O no hydrogen 3.100 N/A GLY 29.A N GLY 32.A O no hydrogen 2.700 N/A GLY 32.A N GLY 29.A O no hydrogen 3.049 N/A HIS 34.A N ASP 28.A OD1 no hydrogen 2.995 N/A HIS 34.A NE2 ASP 271.A OD2 no hydrogen 2.469 N/A VAL 35.A N ARG 25.A O no hydrogen 2.523 N/A ARG 36.A N ALA 270.A O no hydrogen 2.627 N/A ARG 36.A NE TRP 26.A O no hydrogen 2.647 N/A ARG 36.A NH2 TRP 26.A O no hydrogen 2.903 N/A LEU 37.A N SER 23.A OG no hydrogen 2.562 N/A TRP 38.A N ILE 272.A O no hydrogen 2.594 N/A TRP 38.A NE1 ASP 271.A OD1 no hydrogen 2.984 N/A ALA 39.A N VAL 17.A O no hydrogen 2.768 N/A LYS 40.A N LEU 274.A O no hydrogen 2.755 N/A LYS 40.A NZ THR 14.A O no hydrogen 3.223 N/A LYS 40.A NZ THR 14.A OG1 no hydrogen 3.039 N/A LYS 40.A NZ GLU 166.A OE1 no hydrogen 2.470 N/A LEU 41.A N PRO 15.A O no hydrogen 2.866 N/A GLU 42.A N LYS 40.A O no hydrogen 2.784 N/A ARG 44.A N LEU 41.A O no hydrogen 3.240 N/A ASN 45.A N GLU 42.A O no hydrogen 3.296 N/A ASN 45.A ND2 GLU 42.A O no hydrogen 2.562 N/A ASN 45.A ND2 GLU 42.A OE1 no hydrogen 2.880 N/A ASN 45.A ND2 SER 49.A O no hydrogen 3.604 N/A THR 47.A N ASP 52.A OD2 no hydrogen 2.719 N/A THR 47.A OG1 ASP 52.A OD1 no hydrogen 2.329 N/A THR 47.A OG1 ASP 52.A OD2 no hydrogen 3.003 N/A THR 47.A OG1 SER 85.A OG no hydrogen 3.274 N/A GLY 48.A N ASN 45.A O no hydrogen 2.539 N/A ILE 50.A N ALA 277.A O no hydrogen 2.745 N/A LYS 51.A N SER 49.A OG no hydrogen 3.003 N/A ASP 52.A N SER 49.A O no hydrogen 3.300 N/A ARG 53.A N ILE 50.A O no hydrogen 3.018 N/A ARG 53.A NE GLU 42.A OE1 no hydrogen 2.510 N/A ARG 53.A NE GLU 42.A OE2 no hydrogen 3.228 N/A ARG 53.A NH1 GLU 166.A OE2 no hydrogen 2.949 N/A ARG 53.A NH2 THR 14.A OG1 no hydrogen 3.180 N/A ARG 53.A NH2 GLU 42.A OE1 no hydrogen 3.388 N/A ARG 53.A NH2 GLU 42.A OE2 no hydrogen 2.997 N/A ARG 53.A NH2 GLU 166.A OE1 no hydrogen 2.436 N/A ARG 53.A NH2 GLU 166.A OE2 no hydrogen 3.364 N/A ALA 55.A N LYS 51.A O no hydrogen 2.674 N/A VAL 56.A N ASP 52.A O no hydrogen 2.831 N/A ARG 57.A N ARG 53.A O no hydrogen 3.030 N/A MET 58.A N PRO 54.A O no hydrogen 2.639 N/A ILE 59.A N ALA 55.A O no hydrogen 3.040 N/A GLU 60.A N VAL 56.A O no hydrogen 2.684 N/A GLN 61.A N ARG 57.A O no hydrogen 2.676 N/A ALA 62.A N MET 58.A O no hydrogen 2.809 N/A GLU 63.A N ILE 59.A O no hydrogen 2.775 N/A ALA 64.A N GLU 60.A O no hydrogen 2.704 N/A ASP 65.A N GLN 61.A O no hydrogen 2.692 N/A GLY 66.A N GLU 63.A O no hydrogen 2.924 N/A ALA 72.A N ARG 69.A O no hydrogen 2.981 N/A ILE 74.A N ARG 96.A O no hydrogen 2.727 N/A LEU 75.A N VAL 145.A O no hydrogen 2.855 N/A GLU 76.A N ILE 98.A O no hydrogen 2.920 N/A THR 78.A OG1 GLN 149.A OE1 no hydrogen 3.477 N/A GLY 80.A N THR 78.A OG1 no hydrogen 3.362 N/A ASN 81.A ND2 ASP 278.A OD2 no hydrogen 3.188 N/A ILE 84.A N GLY 80.A O no hydrogen 2.958 N/A SER 85.A N ASN 81.A O no hydrogen 2.628 N/A SER 85.A OG THR 47.A OG1 no hydrogen 3.274 N/A SER 85.A OG ASP 52.A OD1 no hydrogen 2.516 N/A SER 85.A OG ASN 81.A O no hydrogen 2.795 N/A LEU 86.A N THR 82.A O no hydrogen 2.681 N/A ALA 87.A N GLY 83.A O no hydrogen 2.571 N/A MET 88.A N ILE 84.A O no hydrogen 2.896 N/A ALA 89.A N SER 85.A O no hydrogen 2.727 N/A ALA 90.A N LEU 86.A O no hydrogen 2.543 N/A ARG 91.A N ALA 87.A O no hydrogen 3.170 N/A LEU 92.A N MET 88.A O no hydrogen 2.954 N/A LYS 93.A N ALA 89.A O no hydrogen 2.941 N/A GLY 94.A N ARG 91.A O no hydrogen 2.906 N/A TYR 95.A N ALA 90.A O no hydrogen 2.785 N/A TYR 95.A OH GLU 63.A OE1 no hydrogen 2.450 N/A ARG 96.A N ALA 72.A O no hydrogen 3.106 N/A ILE 98.A N ILE 74.A O no hydrogen 2.763 N/A CYS 99.A N GLN 119.A O no hydrogen 2.725 N/A VAL 100.A N GLU 76.A O no hydrogen 2.903 N/A MET 101.A N ILE 121.A O no hydrogen 2.991 N/A THR 105.A N PRO 102.A O no hydrogen 2.793 N/A THR 105.A OG1 PRO 102.A O no hydrogen 2.739 N/A ARG 110.A N SER 106.A O no hydrogen 3.238 N/A GLN 111.A N VAL 107.A O no hydrogen 2.506 N/A LEU 112.A N GLU 108.A O no hydrogen 2.706 N/A LEU 113.A N ARG 109.A O no hydrogen 2.982 N/A GLU 114.A N ARG 110.A O no hydrogen 2.787 N/A LEU 115.A N GLN 111.A O no hydrogen 2.966 N/A TYR 116.A N LEU 112.A O no hydrogen 3.060 N/A GLY 117.A N GLU 114.A O no hydrogen 2.933 N/A ALA 118.A N LEU 113.A O no hydrogen 3.041 N/A GLN 119.A N LEU 97.A O no hydrogen 2.732 N/A ILE 121.A N CYS 99.A O no hydrogen 2.940 N/A SER 123.A N MET 101.A O no hydrogen 2.544 N/A VAL 131.A N SER 127.A O no hydrogen 2.782 N/A ALA 132.A N ASN 128.A O no hydrogen 2.458 N/A THR 133.A N THR 129.A O no hydrogen 2.007 N/A ALA 134.A N ALA 130.A O no hydrogen 2.380 N/A LYS 135.A N VAL 131.A O no hydrogen 2.831 N/A GLU 136.A N THR 133.A O no hydrogen 2.740 N/A LEU 137.A N THR 133.A O no hydrogen 2.966 N/A ALA 138.A N ALA 134.A O no hydrogen 3.130 N/A THR 140.A N GLU 136.A O no hydrogen 2.538 N/A ASN 141.A N LEU 137.A O no hydrogen 2.707 N/A SER 143.A N ASN 141.A OD1 no hydrogen 3.424 N/A TRP 144.A N ASN 141.A O no hydrogen 3.089 N/A VAL 145.A N THR 73.A O no hydrogen 2.884 N/A LEU 147.A N GLU 76.A OE1 no hydrogen 3.049 N/A TYR 148.A N GLU 76.A OE1 no hydrogen 2.733 N/A GLN 149.A N GLU 76.A OE2 no hydrogen 2.700 N/A GLY 151.A N TYR 148.A O no hydrogen 3.065 N/A ASN 152.A N TYR 148.A O no hydrogen 2.779 N/A ASN 152.A ND2 LEU 147.A O no hydrogen 3.346 N/A ALA 154.A N ASN 152.A OD1 no hydrogen 2.710 N/A ASN 155.A N ASN 152.A O no hydrogen 2.863 N/A ASN 155.A ND2 GLN 149.A O no hydrogen 2.789 N/A ASP 157.A N PRO 153.A O no hydrogen 2.624 N/A SER 158.A N ALA 154.A O no hydrogen 2.885 N/A SER 158.A N ASN 155.A O no hydrogen 2.877 N/A SER 158.A OG ASN 155.A O no hydrogen 2.442 N/A HIS 159.A N THR 156.A O no hydrogen 2.881 N/A HIS 159.A ND1 THR 163.A OG1 no hydrogen 2.547 N/A TYR 160.A N THR 156.A O no hydrogen 3.052 N/A TYR 160.A OH GLU 196.A OE1 no hydrogen 3.412 N/A TYR 160.A OH GLU 196.A OE2 no hydrogen 2.543 N/A CYS 161.A N ASP 157.A O no hydrogen 2.884 N/A CYS 161.A SG ASP 157.A O no hydrogen 3.357 N/A THR 163.A OG1 HIS 159.A ND1 no hydrogen 2.547 N/A GLY 164.A N HIS 159.A O no hydrogen 2.730 N/A GLU 166.A N GLY 162.A O no hydrogen 2.743 N/A LEU 167.A N THR 163.A O no hydrogen 2.851 N/A LEU 168.A N GLY 164.A O no hydrogen 2.864 N/A ALA 169.A N PRO 165.A O no hydrogen 2.812 N/A ASP 170.A N GLU 166.A O no hydrogen 2.990 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.453 N/A ILE 174.A N LEU 171.A O no hydrogen 2.851 N/A THR 175.A N ASP 271.A O no hydrogen 2.670 N/A THR 175.A OG1 HIS 176.A ND1 no hydrogen 2.660 N/A THR 175.A OG1 ASP 271.A O no hydrogen 2.968 N/A HIS 176.A N ASP 271.A O no hydrogen 3.234 N/A HIS 176.A ND1 THR 175.A OG1 no hydrogen 2.660 N/A PHE 177.A N ALA 202.A O no hydrogen 2.642 N/A VAL 178.A N ALA 273.A O no hydrogen 2.983 N/A ALA 179.A N VAL 204.A O no hydrogen 3.215 N/A LEU 181.A N ALA 206.A O no hydrogen 3.214 N/A THR 183.A OG1 GLN 149.A O no hydrogen 3.197 N/A THR 186.A OG1 HIS 159.A NE2 no hydrogen 3.120 N/A MET 188.A N THR 184.A O no hydrogen 2.730 N/A GLY 189.A N GLY 185.A O no hydrogen 2.536 N/A THR 190.A N THR 186.A O no hydrogen 2.743 N/A ARG 192.A N MET 188.A O no hydrogen 2.822 N/A PHE 193.A N GLY 189.A O no hydrogen 3.164 N/A LEU 194.A N THR 190.A O no hydrogen 2.896 N/A ARG 195.A N GLY 191.A O no hydrogen 3.004 N/A GLU 196.A N ARG 192.A O no hydrogen 3.064 N/A GLU 196.A N PHE 193.A O no hydrogen 2.958 N/A HIS 197.A N LEU 194.A O no hydrogen 2.957 N/A HIS 197.A ND1 PHE 193.A O no hydrogen 3.191 N/A VAL 198.A N LEU 194.A O no hydrogen 2.846 N/A ALA 202.A N THR 175.A O no hydrogen 2.635 N/A VAL 204.A N PHE 177.A O no hydrogen 2.463 N/A ALA 205.A N ALA 221.A O no hydrogen 2.691 N/A ALA 206.A N ALA 179.A O no hydrogen 2.922 N/A GLU 207.A N TYR 223.A O no hydrogen 2.800 N/A ARG 209.A N GLU 207.A O no hydrogen 2.876 N/A TYR 214.A N PRO 211.A O no hydrogen 2.911 N/A GLU 217.A N ASP 215.A OD1 no hydrogen 2.720 N/A THR 220.A N ILE 203.A O no hydrogen 2.717 N/A ALA 221.A N ILE 203.A O no hydrogen 3.287 N/A TYR 223.A N ALA 205.A O no hydrogen 2.790 N/A VAL 225.A N GLU 207.A O no hydrogen 2.654 N/A ALA 230.A N GLY 226.A O no hydrogen 3.119 N/A VAL 231.A N ALA 227.A O no hydrogen 2.879 N/A ARG 232.A N VAL 228.A O no hydrogen 2.922 N/A ARG 232.A NE ASP 229.A OD1 no hydrogen 3.400 N/A ARG 233.A N ASP 229.A O no hydrogen 2.819 N/A ARG 233.A NH1 GLU 236.A OE1 no hydrogen 3.006 N/A THR 234.A N ALA 230.A O no hydrogen 2.787 N/A THR 234.A OG1 ALA 230.A O no hydrogen 2.467 N/A ARG 235.A N VAL 231.A O no hydrogen 2.692 N/A ARG 235.A NE ALA 288.A O no hydrogen 3.158 N/A ARG 235.A NH1 GLY 291.A O no hydrogen 2.653 N/A ARG 235.A NH2 ALA 288.A O no hydrogen 2.685 N/A ARG 235.A NH2 GLY 291.A O no hydrogen 3.190 N/A GLU 236.A N ARG 232.A O no hydrogen 2.767 N/A LEU 237.A N ARG 233.A O no hydrogen 2.724 N/A VAL 238.A N THR 234.A O no hydrogen 3.191 N/A HIS 239.A N ARG 235.A O no hydrogen 3.011 N/A THR 240.A N GLU 236.A O no hydrogen 2.523 N/A THR 240.A OG1 GLU 236.A O no hydrogen 2.867 N/A GLU 241.A N LEU 237.A O no hydrogen 2.680 N/A GLY 242.A N VAL 238.A O no hydrogen 2.867 N/A GLY 246.A N ASP 278.A O no hydrogen 2.639 N/A THR 249.A N GLY 246.A O no hydrogen 2.906 N/A THR 249.A OG1 GLY 246.A O no hydrogen 3.405 N/A GLY 250.A N ILE 247.A O no hydrogen 2.634 N/A ALA 251.A N ILE 247.A O no hydrogen 3.431 N/A VAL 252.A N SER 248.A O no hydrogen 3.192 N/A LEU 253.A N THR 249.A O no hydrogen 2.701 N/A HIS 254.A N GLY 250.A O no hydrogen 2.772 N/A ALA 255.A N ALA 251.A O no hydrogen 2.917 N/A ALA 256.A N VAL 252.A O no hydrogen 2.676 N/A LEU 257.A N LEU 253.A O no hydrogen 2.625 N/A GLY 258.A N HIS 254.A O no hydrogen 2.834 N/A VAL 259.A N ALA 255.A O no hydrogen 2.728 N/A GLY 260.A N ALA 256.A O no hydrogen 2.697 N/A ALA 261.A N LEU 257.A O no hydrogen 2.793 N/A GLY 262.A N GLY 258.A O no hydrogen 2.959 N/A ALA 263.A N VAL 259.A O no hydrogen 3.028 N/A LEU 264.A N GLY 260.A O no hydrogen 2.915 N/A ALA 265.A N ALA 261.A O no hydrogen 2.817 N/A ALA 266.A N GLY 262.A O no hydrogen 2.712 N/A GLY 267.A N LEU 264.A O no hydrogen 2.730 N/A GLU 268.A N ALA 263.A O no hydrogen 2.923 N/A ARG 269.A NH1 GLU 173.A O no hydrogen 2.873 N/A ARG 269.A NH1 ASP 271.A OD2 no hydrogen 2.746 N/A ALA 270.A N HIS 34.A O no hydrogen 2.887 N/A ILE 272.A N ARG 36.A O no hydrogen 2.607 N/A ALA 273.A N HIS 176.A O no hydrogen 2.682 N/A LEU 274.A N TRP 38.A O no hydrogen 2.589 N/A VAL 275.A N VAL 178.A O no hydrogen 2.872 N/A VAL 276.A N LYS 40.A O no hydrogen 2.960 N/A GLY 280.A N PHE 244.A O no hydrogen 2.932 N/A LYS 282.A NZ GLY 48.A O no hydrogen 2.570 N/A TYR 283.A N GLY 280.A O no hydrogen 2.441 N/A TYR 283.A OH ASP 278.A OD2 no hydrogen 2.670 N/A LEU 284.A N GLY 280.A O no hydrogen 3.124 N/A THR 286.A N TYR 283.A O no hydrogen 2.757 N/A THR 286.A OG1 TYR 283.A O no hydrogen 2.475 N/A GLY 287.A N LEU 284.A O no hydrogen 2.645 N/A ALA 288.A N THR 286.A OG1 no hydrogen 2.780 N/A TYR 289.A OH ALA 245.A O no hydrogen 2.593 N/A SER 292.A OG ASP 294.A O no hydrogen 3.133 N/A