Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3duh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N VAL 11.A O no hydrogen 3.054 N/A LEU 5.A N VAL 9.A O no hydrogen 2.646 N/A LYS 7.A NZ ASP 8.A OD2 no hydrogen 3.054 N/A VAL 9.A N LYS 6.A O no hydrogen 2.845 N/A TYR 10.A N LEU 80.A O no hydrogen 2.817 N/A VAL 11.A N TRP 3.A O no hydrogen 2.817 N/A VAL 12.A N LEU 82.A O no hydrogen 2.774 N/A GLU 13.A N GLU 1.A O no hydrogen 2.717 N/A LEU 14.A N HIS 84.A O no hydrogen 2.893 N/A TRP 16.A N LYS 86.A O no hydrogen 3.245 N/A GLU 23.A N VAL 58.A O no hydrogen 3.132 N/A VAL 25.A N ILE 56.A O no hydrogen 3.016 N/A LEU 27.A N LEU 54.A O no hydrogen 2.792 N/A CYS 29.A N LYS 52.A O no hydrogen 2.749 N/A ASP 30.A N SER 77.A OG no hydrogen 3.319 N/A THR 38.A N HIS 70.A O no hydrogen 3.081 N/A TRP 39.A N GLY 49.A O no hydrogen 2.871 N/A TRP 39.A NE1 GLY 51.A O no hydrogen 2.868 N/A THR 40.A N THR 68.A O no hydrogen 3.001 N/A THR 40.A OG1 HIS 70.A NE2 no hydrogen 2.670 N/A ASP 42.A N GLN 66.A O no hydrogen 2.684 N/A SER 44.A N LEU 41.A O no hydrogen 3.294 N/A GLU 46.A N SER 44.A OG no hydrogen 2.970 N/A LEU 48.A N TRP 39.A O no hydrogen 2.728 N/A SER 50.A OG ILE 37.A O no hydrogen 3.195 N/A GLY 51.A N ILE 37.A O no hydrogen 2.654 N/A LYS 52.A NZ THR 31.A O no hydrogen 2.789 N/A LEU 54.A N LEU 27.A O no hydrogen 2.696 N/A ILE 56.A N VAL 25.A O no hydrogen 3.033 N/A GLN 57.A NE2 GLY 22.A O no hydrogen 3.566 N/A VAL 58.A N GLU 23.A O no hydrogen 3.015 N/A LYS 59.A N ASP 63.A OD2 no hydrogen 2.822 N/A LYS 59.A NZ ALA 20.A O no hydrogen 3.500 N/A GLU 60.A N ASP 63.A OD2 no hydrogen 3.081 N/A ASP 63.A N GLU 60.A O no hydrogen 2.767 N/A ALA 64.A N PHE 61.A O no hydrogen 3.386 N/A GLY 65.A N LEU 81.A O no hydrogen 3.354 N/A GLN 66.A N ASP 42.A OD2 no hydrogen 3.133 N/A TYR 67.A N SER 79.A O no hydrogen 3.011 N/A TYR 67.A OH ASP 63.A O no hydrogen 2.640 N/A THR 68.A N THR 40.A O no hydrogen 2.758 N/A THR 68.A OG1 HIS 78.A ND1 no hydrogen 3.244 N/A CYS 69.A N SER 77.A O no hydrogen 3.190 N/A CYS 69.A SG SER 77.A O no hydrogen 3.802 N/A CYS 69.A SG SER 77.A OG no hydrogen 3.189 N/A HIS 70.A N THR 38.A O no hydrogen 2.949 N/A HIS 70.A NE2 THR 40.A OG1 no hydrogen 2.670 N/A LYS 71.A N GLU 74.A O no hydrogen 2.936 N/A GLU 74.A N LYS 71.A O no hydrogen 3.056 N/A LEU 76.A N CYS 69.A O no hydrogen 2.853 N/A SER 79.A N TYR 67.A O no hydrogen 2.831 N/A LEU 80.A N ASP 8.A O no hydrogen 2.889 N/A LEU 81.A N GLY 65.A O no hydrogen 2.992 N/A LEU 82.A N TYR 10.A O no hydrogen 2.783 N/A LEU 83.A N LEU 190.A O no hydrogen 2.977 N/A HIS 84.A N VAL 12.A O no hydrogen 3.046 N/A LYS 86.A N LEU 14.A O no hydrogen 2.803 N/A GLU 87.A N ILE 90.A O no hydrogen 2.738 N/A SER 92.A N LYS 85.A O no hydrogen 3.121 N/A SER 92.A OG GLU 193.A OE2 no hydrogen 2.493 N/A ASP 94.A N GLU 193.A OE2 no hydrogen 2.757 N/A ILE 95.A N GLU 193.A OE1 no hydrogen 2.854 N/A LEU 96.A N TYR 195.A OH no hydrogen 3.097 N/A LYS 97.A N LEU 124.A O no hydrogen 2.619 N/A LYS 97.A NZ GLU 158.A OE1 no hydrogen 2.495 N/A GLN 99.A N THR 106.A O no hydrogen 2.937 N/A GLN 99.A NE2 PHE 107.A O no hydrogen 3.256 N/A GLN 99.A NE2 TRP 122.A O no hydrogen 3.535 N/A LYS 103.A N THR 106.A OG1 no hydrogen 3.387 N/A THR 106.A OG1 LYS 103.A O no hydrogen 3.360 N/A ARG 109.A N TRP 122.A O no hydrogen 3.047 N/A GLU 111.A N THR 120.A O no hydrogen 2.881 N/A ALA 112.A N ILE 204.A O no hydrogen 2.882 N/A LYS 113.A NZ ASP 208.A OD1 no hydrogen 2.682 N/A ASN 114.A ND2 THR 233.A O no hydrogen 2.645 N/A TYR 115.A N SER 235.A OG no hydrogen 2.861 N/A TYR 115.A OH ASP 284.A OD2 no hydrogen 2.716 N/A SER 116.A N ASN 114.A OD1 no hydrogen 3.152 N/A SER 116.A OG ASN 114.A OD1 no hydrogen 2.568 N/A ARG 118.A N SER 116.A OG no hydrogen 3.264 N/A PHE 119.A N CYS 165.A O no hydrogen 3.075 N/A THR 120.A N GLU 111.A O no hydrogen 2.942 N/A CYS 121.A N VAL 163.A O no hydrogen 2.974 N/A TRP 122.A N ARG 109.A O no hydrogen 2.853 N/A TRP 123.A N TYR 161.A O no hydrogen 2.803 N/A THR 125.A N TYR 159.A O no hydrogen 2.746 N/A THR 125.A OG1 ILE 95.A O no hydrogen 2.399 N/A THR 132.A N VAL 187.A O no hydrogen 2.965 N/A SER 134.A N ASP 185.A O no hydrogen 2.912 N/A LYS 136.A N MET 183.A O no hydrogen 2.800 N/A SER 137.A OG GLU 181.A O no hydrogen 2.858 N/A SER 138.A N GLU 181.A O no hydrogen 3.016 N/A SER 138.A OG GLY 140.A O no hydrogen 3.147 N/A ARG 139.A N GLN 145.A O no hydrogen 2.943 N/A ARG 139.A NE GLU 167.A OE2 no hydrogen 2.670 N/A ARG 139.A NH1 GLU 176.A OE2 no hydrogen 3.005 N/A ARG 139.A NH1 LEU 178.A O no hydrogen 2.691 N/A ARG 139.A NH2 GLU 167.A OE1 no hydrogen 2.997 N/A ARG 139.A NH2 GLU 176.A OE2 no hydrogen 2.852 N/A GLY 140.A N PRO 179.A O no hydrogen 2.924 N/A GLN 145.A N ARG 139.A O no hydrogen 2.952 N/A THR 148.A N GLN 166.A O no hydrogen 2.836 N/A THR 148.A OG1 ASP 168.A OD1 no hydrogen 2.607 N/A GLY 150.A N GLU 164.A O no hydrogen 2.931 N/A THR 153.A N SER 162.A O no hydrogen 3.157 N/A SER 155.A N GLU 160.A O no hydrogen 2.699 N/A ALA 156.A N GLU 160.A O no hydrogen 3.366 N/A TYR 159.A N THR 125.A O no hydrogen 2.684 N/A GLU 160.A N ALA 156.A O no hydrogen 3.101 N/A TYR 161.A N TRP 123.A O no hydrogen 2.988 N/A SER 162.A N THR 153.A O no hydrogen 3.198 N/A VAL 163.A N CYS 121.A O no hydrogen 2.802 N/A CYS 165.A N PHE 119.A O no hydrogen 2.956 N/A GLN 166.A N THR 148.A O no hydrogen 2.655 N/A GLU 167.A N GLY 117.A O no hydrogen 2.825 N/A ASP 168.A N GLY 146.A O no hydrogen 2.984 N/A ALA 174.A N CYS 171.A O no hydrogen 3.070 N/A ILE 180.A N PHE 199.A O no hydrogen 2.724 N/A GLU 181.A N SER 138.A O no hydrogen 2.692 N/A VAL 182.A N SER 197.A O no hydrogen 2.709 N/A MET 183.A N LYS 136.A O no hydrogen 2.742 N/A VAL 184.A N TYR 195.A O no hydrogen 2.891 N/A ASP 185.A N SER 134.A O no hydrogen 2.723 N/A ALA 186.A N GLU 193.A O no hydrogen 2.942 N/A VAL 187.A N THR 132.A O no hydrogen 2.948 N/A HIS 188.A N LYS 191.A O no hydrogen 3.000 N/A HIS 188.A ND1 ASP 130.A O no hydrogen 2.963 N/A LYS 189.A N ASP 130.A O no hydrogen 3.128 N/A LYS 191.A N HIS 188.A O no hydrogen 2.729 N/A TYR 192.A N LEU 83.A O no hydrogen 2.938 N/A TYR 192.A OH ASP 185.A OD1 no hydrogen 2.570 N/A TYR 192.A OH ASN 194.A OD1 no hydrogen 2.445 N/A GLU 193.A N ALA 186.A O no hydrogen 2.862 N/A TYR 195.A N VAL 184.A O no hydrogen 2.993 N/A TYR 195.A OH GLU 193.A OE1 no hydrogen 2.878 N/A THR 196.A OG1 VAL 182.A O no hydrogen 3.482 N/A SER 197.A N VAL 182.A O no hydrogen 2.842 N/A SER 198.A OG GLU 181.A OE1 no hydrogen 3.101 N/A PHE 199.A N ILE 180.A O no hydrogen 2.998 N/A ILE 201.A N GLU 176.A OE2 no hydrogen 2.942 N/A ARG 202.A N GLU 176.A OE1 no hydrogen 3.005 N/A ARG 202.A NE TYR 287.A OH no hydrogen 3.338 N/A ARG 202.A NH1 GLU 176.A O no hydrogen 2.854 N/A ARG 202.A NH2 GLU 176.A O no hydrogen 3.553 N/A ASP 203.A N PHE 200.A O no hydrogen 2.938 N/A ILE 204.A N ILE 201.A O no hydrogen 2.939 N/A LYS 206.A N ALA 112.A O no hydrogen 2.788 N/A LYS 206.A NZ GLU 293.A OE1 no hydrogen 2.586 N/A LYS 211.A N GLU 229.A O no hydrogen 3.037 N/A LYS 211.A NZ ASP 232.A OD1 no hydrogen 3.027 N/A LYS 211.A NZ ASP 232.A OD2 no hydrogen 3.523 N/A ASN 212.A ND2 GLU 229.A OE2 no hydrogen 2.749 N/A GLN 214.A N SER 227.A O no hydrogen 2.961 N/A LYS 216.A N GLU 225.A O no hydrogen 2.954 N/A LEU 218.A N GLN 223.A O no hydrogen 2.921 N/A GLN 223.A N SER 221.A OG no hydrogen 3.261 N/A VAL 224.A N VAL 270.A O no hydrogen 2.622 N/A GLU 225.A N LYS 216.A O no hydrogen 2.989 N/A VAL 226.A N ALA 268.A O no hydrogen 2.662 N/A SER 227.A N GLN 214.A O no hydrogen 2.952 N/A TRP 228.A N THR 266.A O no hydrogen 3.253 N/A GLU 229.A N LYS 211.A O no hydrogen 2.889 N/A THR 233.A OG1 ASP 208.A OD2 no hydrogen 2.623 N/A TRP 234.A N PRO 231.A O no hydrogen 3.372 N/A TRP 234.A NE1 PHE 241.A O no hydrogen 2.614 N/A TYR 240.A N PRO 237.A O no hydrogen 3.036 N/A PHE 241.A N PRO 237.A O no hydrogen 2.908 N/A SER 242.A N TYR 240.A O no hydrogen 3.007 N/A SER 242.A OG TYR 286.A OH no hydrogen 3.197 N/A LEU 243.A N TYR 230.A OH no hydrogen 2.997 N/A THR 244.A N GLN 283.A O no hydrogen 2.786 N/A THR 244.A OG1 THR 263.A O no hydrogen 3.485 N/A THR 244.A OG1 ASP 264.A OD1 no hydrogen 2.625 N/A PHE 245.A N THR 263.A O no hydrogen 2.881 N/A CYS 246.A N ARG 281.A O no hydrogen 2.870 N/A CYS 246.A SG VAL 261.A O no hydrogen 4.027 N/A VAL 247.A N VAL 261.A O no hydrogen 2.872 N/A GLN 248.A N SER 279.A O no hydrogen 2.616 N/A GLN 248.A NE2 GLN 250.A OE1 no hydrogen 2.957 N/A VAL 249.A N ASP 259.A O no hydrogen 2.845 N/A GLN 250.A N SER 277.A O no hydrogen 3.122 N/A ASP 259.A N VAL 249.A O no hydrogen 3.137 N/A ARG 260.A NE GLN 248.A OE1 no hydrogen 2.954 N/A ARG 260.A NH1 GLN 248.A OE1 no hydrogen 2.863 N/A VAL 261.A N VAL 247.A O no hydrogen 2.802 N/A THR 263.A N PHE 245.A O no hydrogen 3.203 N/A LYS 265.A N THR 263.A OG1 no hydrogen 3.035 N/A ALA 268.A N VAL 226.A O no hydrogen 2.985 N/A VAL 270.A N VAL 224.A O no hydrogen 2.785 N/A CYS 272.A N ARG 222.A O no hydrogen 3.235 N/A ALA 276.A N ARG 273.A O no hydrogen 3.010 N/A SER 277.A N GLN 250.A O no hydrogen 2.953 N/A ILE 278.A N VAL 297.A O no hydrogen 2.756 N/A SER 279.A N GLN 248.A O no hydrogen 2.696 N/A VAL 280.A N ALA 295.A O no hydrogen 2.715 N/A ARG 281.A N CYS 246.A O no hydrogen 2.905 N/A ALA 282.A N SER 292.A OG no hydrogen 2.732 N/A GLN 283.A N THR 244.A O no hydrogen 2.948 N/A GLN 283.A NE2 SER 289.A O no hydrogen 2.622 N/A ARG 285.A N SER 242.A O no hydrogen 2.966 N/A ARG 285.A NH1 LEU 243.A O no hydrogen 2.822 N/A TYR 286.A N ASP 284.A OD1 no hydrogen 2.876 N/A TYR 286.A OH SER 242.A OG no hydrogen 3.197 N/A TYR 287.A N ASP 284.A OD1 no hydrogen 2.919 N/A TYR 287.A OH ASP 203.A OD1 no hydrogen 2.557 N/A SER 289.A N TYR 287.A O no hydrogen 2.824 N/A SER 289.A OG TYR 287.A O no hydrogen 3.501 N/A SER 290.A N ILE 205.A O no hydrogen 3.118 N/A SER 292.A N ALA 282.A O no hydrogen 2.656 N/A SER 292.A OG ALA 282.A O no hydrogen 3.522 N/A SER 292.A OG GLU 293.A O no hydrogen 2.948 N/A ALA 295.A N VAL 280.A O no hydrogen 2.862 N/A VAL 297.A N ILE 278.A O no hydrogen 2.996 N/A CYS 299.A N ALA 276.A O no hydrogen 2.844 N/A CYS 299.A SG ARG 273.A O no hydrogen 3.993 N/A