Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bmq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD1 no hydrogen 2.866 N/A ALA 5.A N ARG 28.A O no hydrogen 2.766 N/A VAL 6.A N VAL 88.A O no hydrogen 2.947 N/A VAL 7.A N VAL 30.A O no hydrogen 3.065 N/A THR 8.A N VAL 90.A O no hydrogen 3.027 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.448 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.940 N/A ALA 10.A N HIS 32.A O no hydrogen 2.836 N/A LYS 12.A NZ.B SER 36.A OG no hydrogen 3.309 N/A ARG 13.A NH1 LEU 193.A O no hydrogen 2.939 N/A ARG 13.A NH2 LEU 192.A O no hydrogen 2.889 N/A ARG 16.A N LYS 12.A O no hydrogen 3.030 N/A ARG 16.A NH2 GLU 46.A OE2 no hydrogen 2.928 N/A ALA 17.A N ARG 13.A O no hydrogen 3.082 N/A ILE 18.A N ILE 14.A O no hydrogen 2.857 N/A ALA 19.A N GLY 15.A O no hydrogen 2.959 N/A VAL 20.A N ARG 16.A O no hydrogen 2.792 N/A LYS 21.A N ALA 17.A O no hydrogen 2.952 N/A LYS 21.A NZ GLU 219.A OE2 no hydrogen 2.541 N/A LYS 21.A NZ ASP 223.A OD1 no hydrogen 3.098 N/A LEU 22.A N ILE 18.A O no hydrogen 2.863 N/A HIS 23.A N ALA 19.A O no hydrogen 2.864 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.651 N/A GLN 24.A N VAL 20.A O no hydrogen 2.799 N/A THR 25.A N LYS 21.A O no hydrogen 3.032 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.763 N/A GLY 26.A N HIS 23.A O no hydrogen 2.950 N/A TYR 27.A N LEU 22.A O no hydrogen 3.000 N/A ARG 28.A N PRO 3.A O no hydrogen 2.912 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.243 N/A ARG 28.A NH2 GLU 1.A OE2 no hydrogen 3.080 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.791 N/A VAL 29.A N THR 54.A O no hydrogen 2.868 N/A VAL 30.A N ALA 5.A O no hydrogen 2.776 N/A ILE 31.A N VAL 56.A O no hydrogen 2.723 N/A HIS 32.A N VAL 7.A O no hydrogen 3.089 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.845 N/A TYR 33.A N CYS 58.A O no hydrogen 3.008 N/A ALA 37.A N ASN 35.A O no hydrogen 2.894 N/A ALA 40.A N SER 36.A O no hydrogen 3.080 N/A VAL 41.A N ALA 37.A O no hydrogen 3.003 N/A SER 42.A N GLU 38.A O no hydrogen 2.900 N/A LEU 43.A N ALA 39.A O no hydrogen 3.007 N/A ALA 44.A N ALA 40.A O no hydrogen 2.897 N/A ASP 45.A N VAL 41.A O no hydrogen 2.884 N/A GLU 46.A N SER 42.A O no hydrogen 3.155 N/A LEU 47.A N LEU 43.A O no hydrogen 2.961 N/A ASN 48.A N ALA 44.A O no hydrogen 2.816 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 3.101 N/A LYS 49.A N ASP 45.A O no hydrogen 3.020 N/A GLU 50.A N GLU 46.A O no hydrogen 3.168 N/A ARG 51.A N LEU 47.A O no hydrogen 3.020 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.934 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.191 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.885 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.651 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.659 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.988 N/A VAL 56.A N VAL 29.A O no hydrogen 3.003 N/A CYS 58.A N ILE 31.A O no hydrogen 2.996 N/A CYS 58.A SG SER 78.A OG no hydrogen 3.672 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 2.937 N/A ALA 60.A N TYR 33.A O no hydrogen 2.888 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.078 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.681 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.513 N/A ASN 64.A N ALA 112.A O no hydrogen 2.927 N/A VAL 67.A N SER 65.A OG no hydrogen 3.190 N/A LEU 68.A N SER 65.A O no hydrogen 3.139 N/A SER 71.A N VAL 67.A O no hydrogen 2.967 N/A SER 71.A OG VAL 67.A O no hydrogen 3.315 N/A CYS 72.A N LEU 68.A O no hydrogen 2.895 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.474 N/A CYS 72.A SG ALA 121.A O no hydrogen 3.961 N/A GLU 73.A N PRO 69.A O no hydrogen 2.946 N/A GLU 74.A N ALA 70.A O no hydrogen 2.861 N/A ILE 75.A N SER 71.A O no hydrogen 3.034 N/A ILE 76.A N CYS 72.A O no hydrogen 3.245 N/A ASN 77.A N GLU 73.A O no hydrogen 2.892 N/A SER 78.A N GLU 74.A O no hydrogen 2.893 N/A SER 78.A OG GLU 74.A O no hydrogen 2.874 N/A SER 78.A OG GLU 74.A OE2 no hydrogen 3.185 N/A CYS 79.A N ILE 75.A O no hydrogen 3.409 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.360 N/A PHE 80.A N ILE 76.A O no hydrogen 3.226 N/A ARG 81.A N ASN 77.A O no hydrogen 2.758 N/A ARG 81.A NH1 GLU 74.A OE2 no hydrogen 3.136 N/A ARG 81.A NH1 SER 78.A OG no hydrogen 3.232 N/A ARG 81.A NH2 GLU 74.A OE1 no hydrogen 3.280 N/A ARG 81.A NH2 GLU 74.A OE2 no hydrogen 2.876 N/A ALA 82.A N SER 78.A O no hydrogen 3.112 N/A PHE 83.A N CYS 79.A O no hydrogen 2.859 N/A GLY 84.A N PHE 80.A O no hydrogen 2.772 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.901 N/A ARG 85.A NH1 GLU 1.A OE1 no hydrogen 2.900 N/A ARG 85.A NH2 ASP 87.A OD1 no hydrogen 3.548 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 2.986 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.929 N/A ASP 87.A N ALA 4.A O no hydrogen 2.854 N/A VAL 88.A N ALA 4.A O no hydrogen 3.228 N/A LEU 89.A N SER 140.A O no hydrogen 3.064 N/A VAL 90.A N VAL 6.A O no hydrogen 2.847 N/A ASN 91.A N VAL 142.A O no hydrogen 2.872 N/A ASN 91.A ND2 ASN 143.A OD1 no hydrogen 2.735 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.874 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.094 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.967 N/A SER 94.A OG ALA 95.A O no hydrogen 3.305 N/A SER 94.A OG ASN 118.A OD1 no hydrogen 2.651 N/A ALA 95.A N THR 117.A OG1 no hydrogen 2.932 N/A TYR 97.A OH GLU 113.A OE1 no hydrogen 2.582 N/A THR 99.A N ALA 154.A O no hydrogen 2.739 N/A LYS 105.A NZ GLU 113.A OE1 no hydrogen 2.783 N/A THR 106.A OG1 THR 109.A OG1 no hydrogen 3.002 N/A THR 109.A N THR 106.A OG1 no hydrogen 3.015 N/A THR 109.A OG1 THR 106.A OG1 no hydrogen 3.002 N/A GLN 110.A N THR 106.A O no hydrogen 3.041 N/A VAL 111.A N VAL 107.A O no hydrogen 2.933 N/A ALA 112.A N GLU 108.A O no hydrogen 2.934 N/A GLU 113.A N THR 109.A O no hydrogen 2.785 N/A LEU 114.A N GLN 110.A O no hydrogen 2.808 N/A ILE 115.A N VAL 111.A O no hydrogen 2.940 N/A GLY 116.A N ALA 112.A O no hydrogen 2.937 N/A THR 117.A N GLU 113.A O no hydrogen 2.949 N/A THR 117.A OG1 GLU 113.A O no hydrogen 2.714 N/A ASN 118.A N LEU 114.A O no hydrogen 3.359 N/A ASN 118.A ND2 ALA 95.A O no hydrogen 2.990 N/A ASN 118.A ND2 LEU 114.A O no hydrogen 2.932 N/A ALA 119.A N ILE 115.A O no hydrogen 2.978 N/A ILE 120.A N ILE 115.A O no hydrogen 2.942 N/A ALA 121.A N GLY 116.A O no hydrogen 2.756 N/A PHE 123.A N ALA 119.A O no hydrogen 3.004 N/A LEU 124.A N ILE 120.A O no hydrogen 2.814 N/A LEU 125.A N ALA 121.A O no hydrogen 2.767 N/A THR 126.A N PRO 122.A O no hydrogen 2.878 N/A THR 126.A OG1 PRO 122.A O no hydrogen 2.693 N/A MET 127.A N PHE 123.A O no hydrogen 2.941 N/A SER 128.A N LEU 124.A O no hydrogen 2.863 N/A SER 128.A OG LEU 124.A O no hydrogen 3.365 N/A PHE 129.A N LEU 125.A O no hydrogen 2.729 N/A ALA 130.A N THR 126.A O no hydrogen 2.957 N/A GLN 131.A N MET 127.A O no hydrogen 2.859 N/A ARG 132.A N SER 128.A O no hydrogen 3.035 N/A ARG 132.A NH1 ASN 77.A OD1 no hydrogen 2.564 N/A GLN 133.A N ALA 130.A O no hydrogen 3.118 N/A GLN 133.A NE2 CYS 86.A O no hydrogen 2.808 N/A GLN 133.A NE2 PHE 129.A O no hydrogen 3.177 N/A LYS 134.A N ARG 132.A O no hydrogen 2.576 N/A LYS 134.A NZ GLN 131.A O no hydrogen 3.118 N/A SER 137.A N SER 136.A OG.B no hydrogen 2.506 N/A ASN 138.A ND2 VAL 229.A O no hydrogen 2.678 N/A SER 140.A N ASP 87.A O no hydrogen 3.018 N/A ILE 141.A N ARG 182.A O no hydrogen 2.911 N/A VAL 142.A N LEU 89.A O no hydrogen 2.874 N/A ASN 143.A N ASN 184.A O no hydrogen 2.884 N/A ASN 143.A ND2 THR 169.A OG1 no hydrogen 2.873 N/A LEU 144.A N ASN 91.A O no hydrogen 2.919 N/A CYS 145.A N VAL 186.A O no hydrogen 2.808 N/A CYS 145.A SG ASN 143.A O no hydrogen 3.569 N/A ALA 147.A N PRO 188.A O no hydrogen 2.813 N/A MET 148.A N ASP 146.A OD1 no hydrogen 2.866 N/A VAL 149.A N ASP 146.A O no hydrogen 3.277 N/A GLN 151.A N MET 148.A O no hydrogen 2.858 N/A GLN 151.A NE2 SER 248.A O no hydrogen 2.869 N/A LEU 157.A N THR 99.A OG1 no hydrogen 3.337 N/A TYR 158.A OH ASP 146.A OD2 no hydrogen 2.690 N/A ASN 159.A N PHE 155.A O no hydrogen 2.891 N/A ASN 159.A ND2 VAL 149.A O no hydrogen 2.991 N/A MET 160.A N SER 156.A O no hydrogen 2.789 N/A GLY 161.A N LEU 157.A O no hydrogen 3.029 N/A LYS 162.A N TYR 158.A O no hydrogen 2.969 N/A LYS 162.A NZ ASN 118.A OD1 no hydrogen 3.034 N/A LYS 162.A NZ LEU 144.A O no hydrogen 2.827 N/A HIS 163.A N ASN 159.A O no hydrogen 2.874 N/A HIS 163.A NE2 ASP 150.A OD1 no hydrogen 3.210 N/A ALA 164.A N MET 160.A O no hydrogen 2.876 N/A LEU 165.A N GLY 161.A O no hydrogen 2.926 N/A VAL 166.A N LYS 162.A O no hydrogen 3.114 N/A GLY 167.A N HIS 163.A O no hydrogen 3.152 N/A LEU 168.A N ALA 164.A O no hydrogen 2.835 N/A THR 169.A N LEU 165.A O no hydrogen 2.919 N/A THR 169.A OG1 LEU 165.A O no hydrogen 2.740 N/A GLN 170.A N VAL 166.A O no hydrogen 3.031 N/A SER 171.A N GLY 167.A O no hydrogen 2.778 N/A SER 171.A OG GLY 167.A O no hydrogen 3.223 N/A ALA 172.A N LEU 168.A O no hydrogen 2.688 N/A ALA 173.A N THR 169.A O no hydrogen 2.976 N/A LEU 174.A N GLN 170.A O no hydrogen 3.178 N/A GLU 175.A N SER 171.A O no hydrogen 3.028 N/A LEU 176.A N ALA 172.A O no hydrogen 2.844 N/A ALA 177.A N ALA 173.A O no hydrogen 3.098 N/A TYR 179.A N LEU 176.A O no hydrogen 2.952 N/A GLY 180.A N ALA 177.A O no hydrogen 2.927 N/A ILE 181.A N LEU 176.A O no hydrogen 3.375 N/A ARG 182.A N LEU 139.A O no hydrogen 3.121 N/A ARG 182.A NH1 LEU 228.A O no hydrogen 2.831 N/A ARG 182.A NH1 ILE 236.A O no hydrogen 3.129 N/A ARG 182.A NH2 ASN 138.A OD1 no hydrogen 3.176 N/A ARG 182.A NH2 LEU 228.A O no hydrogen 2.882 N/A VAL 183.A N THR 237.A OG1 no hydrogen 2.987 N/A ASN 184.A N ILE 141.A O no hydrogen 2.925 N/A ASN 184.A ND2 ILE 236.A O no hydrogen 2.909 N/A GLY 185.A N SER 239.A O no hydrogen 2.795 N/A VAL 186.A N ASN 143.A O no hydrogen 2.907 N/A ALA 187.A N ILE 241.A O no hydrogen 2.883 N/A GLY 189.A N VAL 243.A O no hydrogen 3.372 N/A SER 191.A OG ALA 216.A O no hydrogen 2.950 N/A MET 197.A N PRO 194.A O no hydrogen 2.964 N/A LYS 202.A N GLY 198.A O no hydrogen 2.902 N/A ASP 203.A N GLU 199.A O no hydrogen 2.899 N/A LYS 204.A N GLU 200.A O no hydrogen 3.051 N/A LYS 204.A NZ.A GLU 200.A OE1.B no hydrogen 2.872 N/A TRP 205.A N GLU 201.A O no hydrogen 3.387 N/A ARG 206.A N LYS 202.A O no hydrogen 2.960 N/A ARG 206.A NE GLU 215.A OE1 no hydrogen 2.776 N/A ARG 206.A NE GLU 215.A OE2 no hydrogen 3.341 N/A ARG 206.A NH1 GLU 199.A OE2 no hydrogen 2.838 N/A ARG 206.A NH1 ASP 203.A OD1 no hydrogen 2.969 N/A ARG 206.A NH2 GLU 215.A OE2 no hydrogen 2.915 N/A ARG 207.A N ASP 203.A O no hydrogen 2.970 N/A ARG 207.A NH2 GLU 200.A OE1.B no hydrogen 2.612 N/A LYS 208.A N TRP 205.A O no hydrogen 3.039 N/A VAL 209.A N ARG 206.A O no hydrogen 3.082 N/A LEU 211.A N GLY 245.A O no hydrogen 2.972 N/A ARG 213.A N VAL 209.A O no hydrogen 3.011 N/A ARG 213.A NH1 ARG 207.A O no hydrogen 2.728 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.765 N/A ALA 216.A N VAL 190.A O no hydrogen 2.866 N/A GLN 220.A N SER 217.A OG no hydrogen 3.134 N/A ILE 221.A N SER 217.A O no hydrogen 3.370 N/A ALA 222.A N ALA 218.A O no hydrogen 2.959 N/A ASP 223.A N GLU 219.A O no hydrogen 2.703 N/A ALA 224.A N ILE 221.A O no hydrogen 3.106 N/A VAL 225.A N ILE 221.A O no hydrogen 3.356 N/A ILE 226.A N ALA 222.A O no hydrogen 2.904 N/A PHE 227.A N ASP 223.A O no hydrogen 3.029 N/A LEU 228.A N ALA 224.A O no hydrogen 3.075 N/A VAL 229.A N VAL 225.A O no hydrogen 3.069 N/A SER 230.A N PHE 227.A O no hydrogen 3.017 N/A SER 230.A OG PHE 227.A O no hydrogen 2.593 N/A SER 232.A N SER 230.A OG no hydrogen 3.103 N/A ALA 233.A N SER 230.A O no hydrogen 3.124 N/A GLN 234.A N GLY 231.A O no hydrogen 3.438 N/A GLN 234.A NE2 ASN 138.A OD1 no hydrogen 2.550 N/A GLN 234.A NE2 SER 230.A O no hydrogen 3.013 N/A ILE 236.A N ALA 233.A O no hydrogen 2.937 N/A THR 237.A OG1 VAL 183.A O no hydrogen 3.567 N/A GLY 238.A N VAL 183.A O no hydrogen 2.712 N/A SER 239.A N ASN 184.A OD1 no hydrogen 2.955 N/A ILE 241.A N GLY 185.A O no hydrogen 2.875 N/A LYS 242.A NZ SER 248.A OG no hydrogen 3.197 N/A VAL 243.A N ALA 187.A O no hydrogen 2.906 N/A GLY 246.A N ASP 244.A OD1 no hydrogen 2.907 N/A LEU 247.A N ASP 244.A O no hydrogen 2.964 N/A SER 248.A N ASP 244.A OD2 no hydrogen 2.927 N/A SER 248.A OG ASP 244.A OD2 no hydrogen 2.703 N/A LEU 249.A N GLY 246.A O no hydrogen 3.002 N/A VAL 250.A N LEU 247.A O no hydrogen 3.145 N/A HIS 251.A ND1 ALA 252.A O no hydrogen 2.699 N/A