Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1doj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 9.A N GLU 6C.A O no hydrogen 3.001 N/A CYS 9.A SG GLU 6C.A O no hydrogen 2.832 N/A GLY 10.A N PRO 151.A O no hydrogen 2.953 N/A ARG 12.A N GLU 16.A OE1 no hydrogen 2.867 N/A ARG 12.A NE GLU 16.A OE1 no hydrogen 2.926 N/A ARG 12.A NE GLU 16.A OE2 no hydrogen 3.388 N/A ARG 12.A NH1 ASP 22.A OD2 no hydrogen 2.755 N/A ARG 12.A NH1 MET 45.A O no hydrogen 2.849 N/A ARG 12.A NH2 GLU 16.A OE2 no hydrogen 2.991 N/A ARG 12.A NH2 ASP 22.A OD2 no hydrogen 2.935 N/A PHE 15.A N ARG 12.A O no hydrogen 3.004 N/A LYS 17.A N ARG 12.A O no hydrogen 2.988 N/A LYS 17.A NZ LEU 11.A O no hydrogen 3.124 N/A LYS 17.A NZ HIS 150.A NE2 no hydrogen 3.542 N/A LYS 17.A NZ ASP 8A.A OD2 no hydrogen 2.937 N/A LYS 18.A N PHE 15.A O no hydrogen 2.814 N/A SER 19.A N GLU 16.A O no hydrogen 3.033 N/A LEU 20.A N PHE 15.A O no hydrogen 2.768 N/A ASP 22.A N GLU 25C.A OE2 no hydrogen 2.752 N/A ILE 35.A N GLY 176.A O no hydrogen 3.452 N/A VAL 36.A N ASP 233.A O no hydrogen 2.733 N/A SER 39.A N VAL 196.A O no hydrogen 2.872 N/A ALA 41.A N LEU 194.A O no hydrogen 2.719 N/A MET 45.A N GLU 42.A O no hydrogen 3.058 N/A GLN 49.A N SER 46.A O no hydrogen 2.910 N/A GLN 49.A NE2 SER 46.A OG.B no hydrogen 3.065 N/A GLN 49.A NE2 THR 173.A OG1 no hydrogen 2.464 N/A VAL 50.A N ALA 64.A O no hydrogen 2.880 N/A MET 51.A N ARG 96.A O no hydrogen 2.870 N/A LEU 52.A N CYS 62.A O no hydrogen 2.801 N/A PHE 53.A N LEU 94.A O no hydrogen 2.836 N/A ARG 54.A N GLU 59.A O no hydrogen 2.779 N/A LYS 55.A N ASP 92.A O no hydrogen 2.820 N/A LYS 55.A NZ ASN 91.A O no hydrogen 2.953 N/A LEU 61.A N LEU 52.A O no hydrogen 2.822 N/A CYS 62.A N LEU 52.A O no hydrogen 3.480 N/A CYS 62.A SG LEU 61.A O no hydrogen 2.976 N/A GLY 63.A N SER 239.A O no hydrogen 2.649 N/A SER 65.A N LEU 73.A O no hydrogen 2.786 N/A SER 65.A OG GLN 255.A OE1 no hydrogen 2.567 N/A LEU 66.A N TRP 48.A O no hydrogen 2.716 N/A ILE 67.A N TRP 71.A O no hydrogen 3.005 N/A SER 68.A OG PHE 2G.A O no hydrogen 3.192 N/A ASP 69.A N SER 4E.A O no hydrogen 2.806 N/A ARG 70.A N SER 68.A OG no hydrogen 3.173 N/A ARG 70.A NH1 GLU 116.A OE1 no hydrogen 3.499 N/A ARG 70.A NH1 LEU 139.A O no hydrogen 2.798 N/A TRP 71.A N SER 68.A OG no hydrogen 2.906 N/A TRP 71.A NE1 GLY 292.A O no hydrogen 2.898 N/A VAL 72.A N MET 137.A O no hydrogen 2.822 N/A LEU 73.A N SER 65.A O no hydrogen 2.723 N/A THR 74.A N ALA 135.A O no hydrogen 3.032 N/A THR 74.A OG1 GLY 63.A O no hydrogen 3.015 N/A ALA 75.A N THR 74.A OG1 no hydrogen 2.684 N/A HIS 77.A N ASP 133.A OD1 no hydrogen 2.821 N/A HIS 77.A ND1 ASP 133.A OD2 no hydrogen 2.570 N/A HIS 77.A NE2 SER 239.A OG no hydrogen 2.802 N/A CYS 78.A N ALA 75.A O no hydrogen 3.016 N/A LEU 79.A N ALA 76.A O no hydrogen 3.001 N/A LEU 80.A N ALA 76.A O no hydrogen 2.854 N/A ASP 92.A N THR 89I.A O no hydrogen 2.869 N/A LEU 94.A N PHE 53.A O no hydrogen 2.892 N/A VAL 95.A N SER 113.A O no hydrogen 2.854 N/A ARG 96.A N MET 51.A O no hydrogen 2.835 N/A ARG 96.A NE GLU 110.A OE1 no hydrogen 2.718 N/A ARG 96.A NH2 GLU 110.A OE1 no hydrogen 3.216 N/A ARG 96.A NH2 GLU 110.A OE2 no hydrogen 2.791 N/A ILE 97.A N LYS 111.A O no hydrogen 2.774 N/A LYS 99.A NZ SER 101.A O no hydrogen 2.974 N/A LYS 99.A NZ ARG 104.A O no hydrogen 2.754 N/A LYS 99.A NZ GLU 106.A OE1 no hydrogen 2.765 N/A LYS 99.A NZ GLU 110.A OE2 no hydrogen 3.005 N/A HIS 100.A N GLU 106.A OE1 no hydrogen 2.915 N/A HIS 100.A N GLU 106.A OE2 no hydrogen 3.356 N/A SER 101.A N GLU 106.A OE2 no hydrogen 2.830 N/A ARG 102.A N SER 192.A O no hydrogen 2.798 N/A ARG 102.A NE PRO 191.A O no hydrogen 2.681 N/A ARG 104.A N SER 101.A OG no hydrogen 2.992 N/A GLU 106.A N GLU 110.A OE2 no hydrogen 2.825 N/A ILE 109.A N GLU 106.A O no hydrogen 3.023 N/A GLU 110.A N GLU 106.A O no hydrogen 2.817 N/A LYS 111.A N ILE 97.A O no hydrogen 2.724 N/A SER 113.A N VAL 95.A O no hydrogen 2.782 N/A GLU 116.A N LYS 138.A O no hydrogen 2.679 N/A LYS 117.A N LYS 138.A O no hydrogen 3.387 N/A ILE 118.A N GLU 90.A OE1 no hydrogen 2.957 N/A TYR 119.A N LEU 136.A O no hydrogen 2.691 N/A HIS 121.A N ILE 134.A O no hydrogen 3.137 N/A ARG 123.A N HIS 121.A ND1 no hydrogen 2.861 N/A TYR 124.A N HIS 121.A O no hydrogen 2.968 N/A TYR 124.A OH LEU 80.A O no hydrogen 2.789 N/A ASN 125.A N ASP 131.A O no hydrogen 2.697 N/A ASN 129.A ND2 ARG 214.A O no hydrogen 2.564 N/A ARG 132.A NH1 ARG 123.A O no hydrogen 2.678 N/A ILE 134.A N ARG 132.A O no hydrogen 2.847 N/A ALA 135.A N THR 74.A O no hydrogen 2.908 N/A LEU 136.A N TYR 119.A O no hydrogen 2.694 N/A MET 137.A N VAL 72.A O no hydrogen 2.781 N/A LYS 138.A N LYS 117.A O no hydrogen 2.820 N/A LYS 138.A NZ PHE 291.A O no hydrogen 2.654 N/A LYS 138.A NZ GLY 292.A O no hydrogen 3.133 N/A LEU 139.A N ARG 70.A O no hydrogen 2.747 N/A LYS 140.A N MET 114.A O no hydrogen 2.886 N/A VAL 143.A N ASP 69.A O no hydrogen 2.805 N/A SER 146.A N ILE 149.A O no hydrogen 2.876 N/A TYR 148.A N SER 146.A OG no hydrogen 3.144 N/A ILE 149.A N SER 146.A O no hydrogen 3.244 N/A HIS 150.A N PRO 47.A O no hydrogen 2.985 N/A HIS 150.A NE2 ASP 8A.A OD2 no hydrogen 3.039 N/A VAL 152.A N LEU 66.A O no hydrogen 2.874 N/A CYS 153.A N TRP 253.A O no hydrogen 3.099 N/A THR 159.A N ASP 156.A OD2 no hydrogen 2.895 N/A THR 159.A OG1 ASP 156.A OD1 no hydrogen 2.645 N/A THR 159.A OG1 ASP 156.A OD2 no hydrogen 3.147 N/A ALA 160.A N ASP 156.A O no hydrogen 3.047 N/A LEU 164.A N ALA 160.A O no hydrogen 2.893 N/A GLN 165.A N LEU 163C.A O no hydrogen 2.697 N/A GLN 165.A NE2 ALA 161A.A O no hydrogen 2.661 N/A GLY 167.A N ILE 201.A O no hydrogen 2.738 N/A TYR 168.A N GLN 165.A O no hydrogen 3.004 N/A LYS 169.A N SER 31I.A OG no hydrogen 2.770 N/A LYS 169.A NZ TYR 224A.A OH no hydrogen 2.778 N/A LYS 169.A NZ GLU 27E.A OE2 no hydrogen 2.734 N/A GLY 170.A N LEU 199.A O no hydrogen 2.743 N/A ARG 171.A N VAL 244.A O no hydrogen 2.671 N/A ARG 171.A NE ASN 198.A OD1 no hydrogen 3.024 N/A ARG 171.A NH1 ASP 22.A OD2 no hydrogen 2.743 N/A ARG 171.A NH2 ASP 22.A OD1 no hydrogen 3.008 N/A ARG 171.A NH2 ASP 22.A OD2 no hydrogen 3.526 N/A VAL 172.A N VAL 197.A O no hydrogen 2.813 N/A GLY 174.A N GLN 195.A O no hydrogen 3.081 N/A TRP 175.A NE1 HIS 100.A O no hydrogen 2.951 N/A GLY 176.A N ASP 238.A OD1 no hydrogen 2.663 N/A ASN 177.A N GLU 236.A O no hydrogen 2.759 N/A LEU 178.A N GLY 189.A O no hydrogen 2.626 N/A LYS 179.A NZ ASN 185B.A OD1 no hydrogen 2.917 N/A LYS 179.A NZ LYS 188E.A O no hydrogen 2.792 N/A THR 181.A OG1 ASN 177.A OD1 no hydrogen 3.528 N/A THR 181.A OG1 LYS 179.A O no hydrogen 3.011 N/A TRP 182.A NE1 GLU 180.A OE2 no hydrogen 2.728 N/A LEU 194.A N HIS 100.A O no hydrogen 2.633 N/A GLN 195.A N GLY 174.A O no hydrogen 2.997 N/A GLN 195.A NE2 ASP 40.A OD1 no hydrogen 2.680 N/A GLN 195.A NE2 VAL 193.A O no hydrogen 3.112 N/A VAL 196.A N SER 39.A O no hydrogen 2.759 N/A VAL 197.A N VAL 172.A O no hydrogen 2.967 N/A ASN 198.A ND2 THR 24B.A OG1 no hydrogen 2.961 N/A ASN 198.A ND2 GLU 27E.A OE1 no hydrogen 2.977 N/A LEU 199.A N GLY 170.A O no hydrogen 2.773 N/A ILE 201.A N TYR 168.A O no hydrogen 2.809 N/A VAL 202.A N CYS 221.A O no hydrogen 2.939 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.769 N/A ARG 204.A NH1 THR 216.A O no hydrogen 2.942 N/A ARG 204.A NH1 MET 219.A O no hydrogen 2.936 N/A ARG 204.A NH2 MET 219.A O no hydrogen 2.646 N/A VAL 206.A N GLU 203.A O no hydrogen 2.880 N/A CYS 207.A N GLU 203.A O no hydrogen 3.037 N/A CYS 207.A SG VAL 202.A O no hydrogen 3.548 N/A CYS 207.A SG GLU 203.A O no hydrogen 3.513 N/A LYS 208.A N ARG 204.A O no hydrogen 2.946 N/A ASP 209.A N PRO 205.A O no hydrogen 2.993 N/A SER 210.A N VAL 206.A O no hydrogen 2.824 N/A SER 210.A N CYS 207.A O no hydrogen 3.174 N/A SER 210.A OG CYS 207.A O no hydrogen 2.738 N/A SER 210.A OG THR 211.A OG1 no hydrogen 3.278 N/A THR 211.A N LYS 208.A O no hydrogen 3.459 N/A THR 211.A OG1 SER 210.A OG no hydrogen 3.278 N/A THR 211.A OG1 GLU 263.A OE1 no hydrogen 3.318 N/A ARG 214.A NE GLU 128A.A OE1 no hydrogen 3.389 N/A ARG 214.A NE GLU 128A.A OE2 no hydrogen 2.916 N/A ARG 214.A NH2 GLU 128A.A OE1 no hydrogen 3.371 N/A THR 216.A OG1 ASP 131.A OD1 no hydrogen 2.572 N/A ASN 218.A N THR 216.A OG1 no hydrogen 3.116 N/A ASN 218.A ND2 ASP 131.A OD1 no hydrogen 3.036 N/A MET 219.A N THR 216.A O no hydrogen 3.156 N/A PHE 220.A N TYR 274.A O no hydrogen 2.967 N/A ALA 222.A N GLY 272.A O no hydrogen 2.907 N/A GLY 223.A N PRO 200.A O no hydrogen 2.867 N/A LYS 225.A N GLU 228B.A OE1 no hydrogen 2.624 N/A LYS 225.A NZ GLU 203.A OE1 no hydrogen 2.699 N/A ARG 231.A NE ASP 266.A OD2 no hydrogen 2.766 N/A ARG 231.A NH1 ASP 268.A OD1 no hydrogen 2.833 N/A ARG 231.A NH2 ASP 266.A O no hydrogen 2.739 N/A ARG 231.A NH2 ASP 268.A OD1 no hydrogen 2.648 N/A GLY 232.A N ASP 266.A OD1 no hydrogen 2.801 N/A ASP 233.A N VAL 36.A O no hydrogen 3.196 N/A ALA 234.A N ASP 233.A OD1 no hydrogen 2.650 N/A CYS 235.A N ASP 238.A OD2 no hydrogen 2.808 N/A CYS 235.A SG GLU 236.A OE1 no hydrogen 3.257 N/A ASP 238.A N CYS 235.A O no hydrogen 2.854 N/A SER 239.A OG HIS 77.A NE2 no hydrogen 2.802 N/A GLY 240.A N VAL 259.A O no hydrogen 2.861 N/A GLY 241.A N ASP 238.A O no hydrogen 2.840 N/A PHE 243.A N GLY 257.A O no hydrogen 2.885 N/A VAL 244.A N ARG 171.A O no hydrogen 2.810 N/A MET 245.A N TYR 254.A O no hydrogen 2.787 N/A LYS 246.A NZ GLU 16.A OE2 no hydrogen 2.663 N/A LYS 246.A NZ GLU 25C.A OE1 no hydrogen 2.631 N/A SER 247.A N ARG 252.A O no hydrogen 2.830 N/A SER 247.A OG ASN 250B.A OD1 no hydrogen 3.162 N/A ASN 251.A ND2 SER 247.A O no hydrogen 3.098 N/A ARG 252.A N ASN 250B.A OD1 no hydrogen 3.051 N/A ARG 252.A NH1 CYS 9.A O no hydrogen 2.758 N/A TRP 253.A N GLY 10.A O no hydrogen 2.907 N/A TRP 253.A NE1 GLU 16.A OE2 no hydrogen 2.641 N/A TYR 254.A N MET 245.A O no hydrogen 2.751 N/A GLN 255.A N CYS 153.A O no hydrogen 2.908 N/A GLN 255.A NE2 GLY 257.A O no hydrogen 2.898 N/A MET 256.A N PHE 243.A O no hydrogen 2.961 N/A GLY 257.A N PHE 243.A O no hydrogen 3.058 N/A ILE 258.A N THR 275.A O no hydrogen 3.322 N/A VAL 259.A N GLY 241.A O no hydrogen 2.742 N/A SER 260.A N PHE 273.A O no hydrogen 2.992 N/A SER 260.A OG ASP 133.A OD2 no hydrogen 2.739 N/A TRP 261.A N PHE 273.A O no hydrogen 3.164 N/A CYS 265.A N GLU 180.A OE1 no hydrogen 2.981 N/A CYS 265.A SG ALA 234.A O no hydrogen 3.937 N/A CYS 265.A SG GLU 236.A OE1 no hydrogen 3.101 N/A ASP 266.A N ASP 233.A OD2 no hydrogen 2.907 N/A LYS 270.A N ARG 267A.A O no hydrogen 2.995 N/A LYS 270.A NZ SER 210.A O no hydrogen 2.694 N/A LYS 270.A NZ GLU 263.A OE1 no hydrogen 2.766 N/A GLY 272.A N ALA 222.A O no hydrogen 3.080 N/A PHE 273.A N TRP 261.A O no hydrogen 2.716 N/A TYR 274.A N PHE 220.A O no hydrogen 2.750 N/A THR 275.A N ILE 258.A O no hydrogen 2.882 N/A THR 275.A OG1 ASP 133.A O no hydrogen 2.608 N/A HIS 276.A N ASN 218.A O no hydrogen 2.684 N/A VAL 277.A N MET 256.A O no hydrogen 3.047 N/A ARG 279.A N HIS 276.A ND1 no hydrogen 3.258 N/A ARG 279.A NE ASP 217.A O no hydrogen 2.571 N/A ARG 279.A NH2 ASP 217.A O no hydrogen 3.095 N/A LEU 280.A N HIS 276.A O no hydrogen 3.234 N/A LEU 280.A N VAL 277.A O no hydrogen 3.106 N/A LYS 281.A N PHE 278.A O no hydrogen 3.050 N/A LYS 281.A NZ PRO 155.A O no hydrogen 3.246 N/A TRP 283.A N LEU 280.A O no hydrogen 3.064 N/A GLN 285.A N LYS 281.A O no hydrogen 2.861 N/A LYS 286.A N LYS 282.A O no hydrogen 2.924 N/A VAL 287.A N TRP 283.A O no hydrogen 2.906 N/A ILE 288.A N ILE 284.A O no hydrogen 2.918 N/A ASP 289.A N GLN 285.A O no hydrogen 2.781 N/A GLN 290.A N LYS 286.A O no hydrogen 2.960 N/A PHE 291.A N VAL 287.A O no hydrogen 2.745 N/A LYS 23A.A N GLU 42.A OE2 no hydrogen 2.675 N/A TYR 81A.A N LYS 86F.A O no hydrogen 2.695 N/A ARG 107A.A N TYR 105.A O no hydrogen 2.990 N/A GLU 128A.A N ASN 125.A OD1 no hydrogen 3.043 N/A ALA 161A.A N ARG 157.A O no hydrogen 2.823 N/A PHE 249A.A N SER 247.A OG no hydrogen 3.048 N/A ARG 267A.A NH1 GLU 180.A OE1 no hydrogen 3.139 N/A ARG 267A.A NH1 GLU 180.A OE2 no hydrogen 2.772 N/A THR 24B.A N ASP 22.A OD1 no hydrogen 2.936 N/A SER 162B.A N GLU 158.A O no hydrogen 2.931 N/A SER 162B.A OG GLU 158.A O no hydrogen 3.030 N/A ASN 185B.A ND2 THR 183.A O no hydrogen 2.951 N/A GLU 228B.A N LYS 225.A O no hydrogen 2.946 N/A ASN 250B.A N SER 247.A OG no hydrogen 3.266 N/A ASN 250B.A ND2 TYR 254.A OH no hydrogen 2.801 N/A GLU 6C.A N GLY 3F.A O no hydrogen 3.226 N/A GLU 25C.A N ASP 22.A OD1 no hydrogen 2.773 N/A LEU 163C.A N THR 159.A O no hydrogen 2.890 N/A GLY 229C.A N PRO 226.A O no hydrogen 3.369 N/A ARG 26D.A NH1 GLU 30H.A OE2 no hydrogen 2.705 N/A TRP 84D.A N TYR 81A.A O no hydrogen 3.040 N/A LYS 230D.A N GLU 228B.A O no hydrogen 2.796 N/A SER 4E.A OG ASP 69.A OD2 no hydrogen 3.062 N/A GLU 27E.A N THR 24B.A O no hydrogen 3.102 N/A ASP 85E.A N PRO 82B.A O no hydrogen 2.701 N/A LEU 28F.A N GLU 25C.A O no hydrogen 2.941 N/A LYS 86F.A N TYR 81A.A O no hydrogen 2.964 N/A LEU 29G.A N GLU 25C.A O no hydrogen 3.287 N/A THR 1H.A N GLU 6C.A OE1 no hydrogen 3.195 N/A GLU 30H.A N ARG 26D.A O no hydrogen 2.794 N/A PHE 88H.A N LEU 79.A O no hydrogen 2.781 N/A SER 31I.A N GLU 27E.A O no hydrogen 3.214 N/A SER 31I.A OG LEU 28F.A O no hydrogen 2.509 N/A THR 89I.A N ASP 92.A OD2 no hydrogen 2.812 N/A THR 89I.A OG1 GLU 90.A OE2 no hydrogen 2.681 N/A TYR 32J.A N LEU 28F.A O no hydrogen 3.343 N/A TYR 32J.A N LEU 29G.A O no hydrogen 3.054 N/A TYR 32J.A OH LYS 169.A O no hydrogen 2.706 N/A ILE 33K.A N LEU 29G.A O no hydrogen 3.250 N/A ILE 33K.A N GLU 30H.A O no hydrogen 3.254 N/A ASP 34M.A N GLU 30H.A O no hydrogen 2.616 N/A