Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bwm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 6.A OE1 no hydrogen 3.200 N/A THR 3.A OG1 GLU 5.A OE1 no hydrogen 3.543 N/A LYS 4.A NZ TRP 37.A O no hydrogen 2.888 N/A GLN 6.A N THR 3.A OG1 no hydrogen 3.156 N/A ARG 7.A N THR 3.A O no hydrogen 2.962 N/A ARG 7.A NE GLU 36.A OE2 no hydrogen 2.877 N/A ARG 7.A NH1 ASP 2.A OD1 no hydrogen 2.884 N/A ARG 7.A NH2 GLU 36.A OE1 no hydrogen 3.000 N/A ILE 8.A N LYS 4.A O no hydrogen 2.868 N/A LEU 9.A N GLU 5.A O no hydrogen 2.988 N/A ASN 10.A N GLN 6.A O no hydrogen 2.731 N/A HIS 11.A N ARG 7.A O no hydrogen 3.080 N/A VAL 12.A N ILE 8.A O no hydrogen 3.129 N/A LEU 13.A N LEU 9.A O no hydrogen 2.931 N/A GLN 14.A N ASN 10.A O no hydrogen 2.960 N/A HIS 15.A N HIS 11.A O no hydrogen 2.858 N/A HIS 15.A N VAL 12.A O no hydrogen 3.222 N/A ALA 16.A N VAL 12.A O no hydrogen 2.832 N/A GLU 17.A N SER 23.A OG no hydrogen 2.847 N/A GLY 19.A N PHE 104.A O no hydrogen 2.698 N/A ASN 20.A N GLU 17.A O no hydrogen 2.941 N/A ASN 20.A ND2 GLU 17.A OE1.A no hydrogen 2.994 N/A ASN 20.A ND2 GLU 17.A OE2.B no hydrogen 2.721 N/A GLN 22.A NE2 GLN 22.A O no hydrogen 3.069 N/A SER 23.A N ASN 20.A OD1 no hydrogen 3.008 N/A VAL 24.A N ASN 20.A O no hydrogen 3.091 N/A LEU 25.A N ALA 21.A O no hydrogen 3.040 N/A GLU 26.A N GLN 22.A O no hydrogen 2.999 N/A ALA 27.A N SER 23.A O no hydrogen 2.901 N/A ILE 28.A N VAL 24.A O no hydrogen 3.035 N/A ASP 29.A N LEU 25.A O no hydrogen 2.966 N/A THR 30.A N GLU 26.A O no hydrogen 2.892 N/A THR 30.A OG1 GLU 26.A O no hydrogen 2.925 N/A TYR 31.A N ALA 27.A O no hydrogen 3.051 N/A TYR 31.A OH GLU 36.A OE2 no hydrogen 2.613 N/A CYS 32.A N ILE 28.A O no hydrogen 2.967 N/A CYS 32.A SG ILE 28.A O no hydrogen 3.353 N/A CYS 32.A SG GLU 36.A O no hydrogen 3.587 N/A CYS 32.A SG ASN 40.A OD1 no hydrogen 3.601 N/A GLU 33.A N ASP 29.A O no hydrogen 2.838 N/A GLN 34.A N THR 30.A O no hydrogen 2.936 N/A LYS 35.A N TYR 31.A O no hydrogen 2.669 N/A GLU 36.A N TYR 31.A O no hydrogen 3.329 N/A TRP 37.A NE1 GLU 198.A O no hydrogen 2.883 N/A LYS 45.A NZ ASP 168.A OD1 no hydrogen 2.734 N/A LYS 45.A NZ ASP 168.A OD2 no hydrogen 3.176 N/A LYS 45.A NZ GLU 198.A OE1 no hydrogen 2.816 N/A LYS 45.A NZ ASP 204.A OD2 no hydrogen 2.890 N/A GLY 46.A N GLY 42.A O no hydrogen 2.778 N/A LYS 47.A N ASP 43.A O no hydrogen 3.068 N/A VAL 49.A N LYS 45.A O no hydrogen 2.960 N/A ASP 50.A N GLY 46.A O no hydrogen 2.861 N/A ALA 51.A N LYS 47.A O no hydrogen 3.060 N/A VAL 52.A N ILE 48.A O no hydrogen 3.144 N/A ILE 53.A N VAL 49.A O no hydrogen 3.152 N/A GLN 54.A N ASP 50.A O no hydrogen 2.903 N/A GLU 55.A N ALA 51.A O no hydrogen 2.865 N/A HIS 56.A N VAL 52.A O no hydrogen 2.987 N/A HIS 56.A N ILE 53.A O no hydrogen 3.264 N/A GLN 57.A N ILE 53.A O no hydrogen 2.737 N/A GLN 57.A NE2 GLN 54.A O no hydrogen 3.040 N/A SER 59.A N ASP 135.A OD2 no hydrogen 2.976 N/A VAL 60.A N ASP 135.A OD2 no hydrogen 2.813 N/A LEU 61.A N ARG 84.A O no hydrogen 2.949 N/A LEU 62.A N MET 136.A O no hydrogen 2.859 N/A GLU 63.A N ILE 86.A O no hydrogen 2.660 N/A LEU 64.A N PHE 138.A O no hydrogen 2.909 N/A GLY 65.A N ILE 88.A O no hydrogen 2.910 N/A ALA 66.A N GLU 89.A OE1 no hydrogen 2.967 N/A TYR 67.A N GLU 89.A OE1 no hydrogen 2.959 N/A TYR 67.A OH GLU 5.A OE2 no hydrogen 2.548 N/A GLY 69.A N ALA 66.A O no hydrogen 2.917 N/A TYR 70.A OH ASP 29.A OD1 no hydrogen 3.226 N/A TYR 70.A OH ASP 29.A OD2 no hydrogen 2.572 N/A SER 71.A OG GLU 63.A OE2 no hydrogen 2.432 N/A VAL 73.A N GLY 69.A O no hydrogen 2.887 N/A ARG 74.A N TYR 70.A O no hydrogen 2.750 N/A ARG 74.A NE ASP 50.A OD1 no hydrogen 3.134 N/A ARG 74.A NE ASP 50.A OD2 no hydrogen 3.390 N/A ARG 74.A NH1 ASP 43.A OD1 no hydrogen 3.385 N/A ARG 74.A NH2 ASP 43.A OD1 no hydrogen 3.431 N/A ARG 74.A NH2 ASP 50.A OD2 no hydrogen 2.932 N/A MET 75.A N SER 71.A O no hydrogen 2.825 N/A ALA 76.A N ALA 72.A O no hydrogen 2.710 N/A ARG 77.A N VAL 73.A O no hydrogen 3.100 N/A ARG 77.A NH1 ASP 50.A OD1 no hydrogen 3.204 N/A ARG 77.A NH1 ARG 74.A O no hydrogen 2.576 N/A ARG 77.A NH2 ASP 50.A OD2 no hydrogen 3.251 N/A LEU 78.A N MET 75.A O no hydrogen 3.013 N/A LEU 79.A N ALA 76.A O no hydrogen 3.131 N/A ALA 83.A N SER 80.A O no hydrogen 3.003 N/A ARG 84.A N SER 59.A O no hydrogen 2.992 N/A ARG 84.A NH1 TYR 129.A O no hydrogen 3.384 N/A ARG 84.A NH1 ASP 130.A O no hydrogen 3.353 N/A ARG 84.A NH2 TYR 129.A O no hydrogen 3.135 N/A LEU 85.A N LYS 110.A O no hydrogen 2.722 N/A ILE 86.A N LEU 61.A O no hydrogen 2.679 N/A THR 87.A N THR 112.A O no hydrogen 3.051 N/A THR 87.A OG1.B GLU 63.A OE1 no hydrogen 2.841 N/A ILE 88.A N GLU 63.A O no hydrogen 2.839 N/A GLU 89.A N VAL 114.A O no hydrogen 3.054 N/A ASN 91.A N GLU 89.A OE2 no hydrogen 2.866 N/A CYS 94.A N ASN 91.A OD1 no hydrogen 3.159 N/A ALA 95.A N ASN 91.A O no hydrogen 2.902 N/A ALA 96.A N PRO 92.A O no hydrogen 2.864 N/A ILE 97.A N ASP 93.A O no hydrogen 3.103 N/A THR 98.A N CYS 94.A O no hydrogen 2.698 N/A THR 98.A OG1 TYR 67.A O no hydrogen 2.706 N/A THR 98.A OG1 CYS 94.A O no hydrogen 3.178 N/A GLN 99.A N ALA 95.A O no hydrogen 3.017 N/A ARG 100.A N ALA 96.A O no hydrogen 3.204 N/A MET 101.A N ILE 97.A O no hydrogen 2.810 N/A VAL 102.A N THR 98.A O no hydrogen 2.877 N/A ASP 103.A N GLN 99.A O no hydrogen 2.907 N/A PHE 104.A N ARG 100.A O no hydrogen 2.934 N/A ALA 105.A N MET 101.A O no hydrogen 3.008 N/A GLY 106.A N ASP 103.A O no hydrogen 3.201 N/A VAL 107.A N VAL 102.A O no hydrogen 3.310 N/A LYS 110.A N VAL 107.A O no hydrogen 2.992 N/A VAL 111.A N LYS 108.A O no hydrogen 3.365 N/A THR 112.A N LEU 85.A O no hydrogen 2.763 N/A VAL 114.A N THR 87.A O no hydrogen 2.874 N/A GLY 116.A N GLU 89.A O no hydrogen 2.825 N/A SER 118.A OG GLN 119.A OE1 no hydrogen 3.234 N/A SER 118.A OG ASP 149.A OD2 no hydrogen 2.651 N/A GLN 119.A N GLN 119.A OE1 no hydrogen 2.757 N/A ASP 120.A N ALA 117.A O no hydrogen 3.083 N/A ILE 121.A N ALA 117.A O no hydrogen 2.895 N/A ILE 122.A N SER 118.A O no hydrogen 2.866 N/A GLN 124.A N ILE 121.A O no hydrogen 2.811 N/A LEU 125.A N ILE 122.A O no hydrogen 3.208 N/A LYS 126.A NZ ASP 132.A O no hydrogen 2.526 N/A LYS 127.A NZ PRO 123.A O no hydrogen 3.407 N/A LYS 128.A N GLN 124.A O no hydrogen 2.750 N/A LYS 128.A NZ GLN 124.A OE1 no hydrogen 2.997 N/A TYR 129.A N LEU 125.A O no hydrogen 3.189 N/A VAL 131.A N LEU 125.A O no hydrogen 3.092 N/A LEU 134.A N LEU 158.A O no hydrogen 2.897 N/A ASP 135.A N VAL 60.A O no hydrogen 3.029 N/A MET 136.A N VAL 60.A O no hydrogen 3.379 N/A VAL 137.A N VAL 164.A O no hydrogen 2.869 N/A PHE 138.A N LEU 62.A O no hydrogen 2.754 N/A LEU 139.A N LEU 166.A O no hydrogen 2.789 N/A ASP 140.A N LEU 64.A O no hydrogen 2.989 N/A HIS 141.A NE2 ASP 149.A OD2 no hydrogen 2.624 N/A LYS 143.A NZ ASP 140.A OD1 no hydrogen 3.188 N/A LYS 143.A NZ HIS 141.A O no hydrogen 2.858 N/A LYS 143.A NZ TYR 146.A OH no hydrogen 2.895 N/A LYS 143.A NZ ASN 169.A OD1 no hydrogen 2.730 N/A ARG 145.A N TRP 142.A O no hydrogen 2.978 N/A ARG 145.A NE ASP 149.A OD1 no hydrogen 3.274 N/A ARG 145.A NH2 ASP 149.A OD1 no hydrogen 2.790 N/A TYR 146.A N LYS 143.A O no hydrogen 3.241 N/A TYR 146.A OH ASP 168.A O no hydrogen 2.698 N/A ASP 149.A N ARG 145.A O no hydrogen 2.864 N/A THR 150.A N TYR 146.A O no hydrogen 3.121 N/A THR 150.A OG1 TYR 146.A O no hydrogen 2.839 N/A LEU 151.A N LEU 147.A O no hydrogen 2.993 N/A LEU 152.A N PRO 148.A O no hydrogen 2.933 N/A LEU 153.A N ASP 149.A O no hydrogen 2.778 N/A GLU 154.A N THR 150.A O no hydrogen 3.033 N/A GLU 155.A N LEU 151.A O no hydrogen 2.932 N/A CYS 156.A N LEU 152.A O no hydrogen 2.734 N/A CYS 156.A SG LEU 152.A O no hydrogen 3.252 N/A GLY 157.A N GLU 154.A O no hydrogen 2.844 N/A LEU 158.A N LEU 153.A O no hydrogen 2.964 N/A ARG 160.A N THR 163.A OG1 no hydrogen 3.026 N/A ARG 160.A NH1 LYS 161.A O no hydrogen 2.931 N/A ARG 160.A NH2 ASP 135.A OD1 no hydrogen 2.814 N/A GLY 162.A N TYR 211.A O no hydrogen 2.801 N/A THR 163.A N ARG 160.A O no hydrogen 2.893 N/A THR 163.A OG1 LEU 134.A O no hydrogen 2.707 N/A THR 163.A OG1 ARG 160.A O no hydrogen 3.048 N/A VAL 164.A N ASP 135.A O no hydrogen 3.159 N/A LEU 165.A N ALA 209.A O no hydrogen 2.932 N/A LEU 166.A N VAL 137.A O no hydrogen 2.873 N/A ALA 167.A N GLU 207.A O no hydrogen 2.894 N/A ASP 168.A N LEU 139.A O no hydrogen 3.028 N/A ASN 169.A ND2 CYS 172.A O no hydrogen 3.077 N/A ASN 169.A ND2 ASP 204.A OD2 no hydrogen 2.979 N/A VAL 170.A N GLY 205.A O no hydrogen 3.077 N/A ILE 171.A N ASP 204.A OD1 no hydrogen 3.291 N/A CYS 172.A N ASP 204.A OD1 no hydrogen 2.747 N/A GLY 174.A N ASN 169.A O no hydrogen 2.909 N/A ALA 175.A N VAL 170.A O no hydrogen 3.221 N/A LEU 179.A N ALA 175.A O no hydrogen 3.019 N/A ALA 180.A N PRO 176.A O no hydrogen 2.892 N/A HIS 181.A N ASP 177.A O no hydrogen 3.158 N/A VAL 182.A N PHE 178.A O no hydrogen 2.990 N/A ARG 183.A N LEU 179.A O no hydrogen 2.903 N/A ARG 183.A NE GLU 207.A OE2 no hydrogen 2.980 N/A ARG 183.A NH2 GLU 207.A OE1 no hydrogen 2.949 N/A ARG 183.A NH2 GLU 207.A OE2 no hydrogen 3.495 N/A GLY 184.A N ALA 180.A O no hydrogen 2.925 N/A SER 185.A N HIS 181.A O no hydrogen 3.116 N/A CYS 187.A N SER 185.A OG no hydrogen 2.928 N/A CYS 187.A SG GLY 213.A O no hydrogen 3.268 N/A PHE 188.A N SER 185.A O no hydrogen 3.420 N/A GLU 189.A N ILE 210.A O no hydrogen 2.756 N/A THR 191.A N LYS 208.A O no hydrogen 2.811 N/A HIS 192.A ND1 GLU 207.A OE1 no hydrogen 2.805 N/A TYR 193.A N LEU 206.A O no hydrogen 2.956 N/A SER 195.A N ASP 204.A O no hydrogen 2.794 N/A LEU 197.A N VAL 202.A O no hydrogen 2.681 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.975 N/A TYR 199.A OH ASP 29.A OD1 no hydrogen 2.640 N/A TYR 199.A OH ASN 40.A OD1 no hydrogen 3.214 N/A ARG 200.A N LEU 197.A O no hydrogen 2.959 N/A ARG 200.A NH1 TYR 199.A O no hydrogen 2.869 N/A ASP 204.A N SER 195.A O no hydrogen 3.229 N/A LEU 206.A N TYR 193.A O no hydrogen 3.014 N/A GLU 207.A N ALA 167.A O no hydrogen 2.968 N/A LYS 208.A N THR 191.A O no hydrogen 2.886 N/A LYS 208.A NZ TYR 193.A OH no hydrogen 2.738 N/A ALA 209.A N LEU 165.A O no hydrogen 2.756 N/A ILE 210.A N GLU 189.A O no hydrogen 2.833 N/A TYR 211.A N THR 163.A O no hydrogen 2.866 N/A TYR 211.A OH GLU 154.A OE2 no hydrogen 2.841 N/A LYS 212.A N CYS 187.A O no hydrogen 2.786 N/A LYS 212.A NZ SER 186.A O no hydrogen 3.347 N/A