Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5mal_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N THR 43.A O no hydrogen 2.319 N/A THR 2.A OG1 ALA 1.A O no hydrogen 2.695 N/A ASP 3.A N ASP 73.A OD2 no hydrogen 2.913 N/A TYR 4.A N ARG 46.A O no hydrogen 2.933 N/A TYR 4.A OH SER 76.A OG no hydrogen 2.628 N/A VAL 5.A N LEU 74.A O no hydrogen 2.799 N/A ALA 6.A N ASN 48.A O no hydrogen 2.928 N/A LEU 7.A N SER 76.A O no hydrogen 2.855 N/A GLY 8.A N GLN 64.A OE1 no hydrogen 2.813 N/A ASP 9.A N THR 78.A O no hydrogen 2.944 N/A SER 10.A OG HIS 216.A NE2 no hydrogen 2.568 N/A TYR 11.A N ASP 9.A OD1 no hydrogen 3.112 N/A TYR 11.A OH TYR 215.A O no hydrogen 2.803 N/A SER 12.A N ASP 9.A O no hydrogen 3.047 N/A SER 12.A OG LEU 7.A O no hydrogen 3.445 N/A SER 12.A OG TYR 34.A OH no hydrogen 2.684 N/A SER 12.A OG THR 78.A OG1 no hydrogen 2.531 N/A SER 13.A N ASP 9.A O no hydrogen 2.883 N/A SER 13.A OG SER 10.A O no hydrogen 3.506 N/A SER 13.A OG CYS 27.A O no hydrogen 3.128 N/A SER 13.A OG LYS 28.A O no hydrogen 3.003 N/A GLY 14.A N SER 10.A O no hydrogen 2.866 N/A VAL 15.A N SER 10.A O no hydrogen 3.131 N/A GLY 16.A N TYR 20.A OH no hydrogen 2.879 N/A ALA 17.A N GLY 14.A O no hydrogen 2.916 N/A GLY 18.A N TYR 20.A OH no hydrogen 3.280 N/A ASP 21.A N ARG 29.A O no hydrogen 2.835 N/A SER 23.A OG ASP 21.A OD1 no hydrogen 2.273 N/A SER 24.A N ASP 21.A O no hydrogen 3.313 N/A SER 24.A OG ASP 21.A O no hydrogen 2.797 N/A GLY 25.A N SER 22.A O no hydrogen 3.356 N/A CYS 27.A N SER 24.A O no hydrogen 3.009 N/A LYS 28.A N GLY 25.A O no hydrogen 3.245 N/A ARG 29.A N SER 24.A OG no hydrogen 3.175 N/A ARG 29.A NH1 ALA 51.A O no hydrogen 2.798 N/A SER 30.A N SER 13.A O no hydrogen 2.683 N/A SER 30.A OG GLY 18.A O no hydrogen 2.538 N/A THR 31.A N SER 19.A O no hydrogen 2.782 N/A THR 31.A OG1 SER 19.A O no hydrogen 3.125 N/A LYS 32.A N SER 30.A OG no hydrogen 2.762 N/A SER 33.A N SER 30.A O no hydrogen 3.153 N/A SER 33.A OG SER 30.A O no hydrogen 2.652 N/A TYR 34.A N GLN 222.A OE1 no hydrogen 2.723 N/A TYR 34.A OH SER 12.A OG no hydrogen 2.684 N/A ALA 36.A N SER 33.A OG no hydrogen 3.297 N/A LEU 37.A N SER 33.A O no hydrogen 2.874 N/A TRP 38.A N TYR 34.A O no hydrogen 2.842 N/A TRP 38.A NE1 THR 234.A O no hydrogen 2.653 N/A ALA 39.A N PRO 35.A O no hydrogen 2.889 N/A ALA 40.A N ALA 36.A O no hydrogen 2.903 N/A SER 41.A N TRP 38.A O no hydrogen 3.086 N/A SER 41.A OG LEU 37.A O no hydrogen 2.764 N/A SER 41.A OG TRP 38.A O no hydrogen 3.173 N/A HIS 42.A N ALA 39.A O no hydrogen 3.286 N/A HIS 42.A ND1 TRP 38.A O no hydrogen 2.848 N/A THR 45.A N HIS 42.A O no hydrogen 3.294 N/A THR 45.A OG1 ALA 39.A O no hydrogen 3.567 N/A THR 45.A OG1 HIS 42.A O no hydrogen 2.595 N/A ARG 46.A N THR 2.A O no hydrogen 2.776 N/A ASN 48.A N TYR 4.A O no hydrogen 2.823 N/A THR 50.A N ALA 6.A O no hydrogen 2.966 N/A THR 50.A OG1 GLN 64.A O no hydrogen 2.873 N/A ALA 51.A N ALA 6.A O no hydrogen 2.958 N/A CYS 52.A N GLY 8.A O no hydrogen 2.793 N/A CYS 52.A SG SER 53.A O no hydrogen 3.856 N/A SER 53.A N CYS 27.A O no hydrogen 2.900 N/A ALA 55.A N CYS 52.A O no hydrogen 3.042 N/A ARG 56.A N ASP 59.A OD2 no hydrogen 2.664 N/A THR 57.A N ASP 83.A OD1 no hydrogen 2.981 N/A THR 57.A N ASP 83.A OD2 no hydrogen 3.018 N/A THR 57.A OG1 ASP 83.A OD2 no hydrogen 2.683 N/A ASP 59.A N ARG 56.A O no hydrogen 2.870 N/A VAL 60.A N ARG 56.A O no hydrogen 3.009 N/A LEU 61.A N THR 57.A O no hydrogen 3.056 N/A ALA 62.A N GLY 58.A O no hydrogen 2.932 N/A LYS 63.A N ASP 59.A O no hydrogen 2.855 N/A LYS 63.A NZ ASP 59.A OD1 no hydrogen 3.561 N/A GLN 64.A N VAL 60.A O no hydrogen 3.029 N/A GLN 64.A NE2 GLY 8.A O no hydrogen 2.930 N/A VAL 68.A N LEU 65.A O no hydrogen 2.837 N/A ASN 69.A N THR 72.A OG1 no hydrogen 2.962 N/A GLY 71.A N ASN 69.A OD1 no hydrogen 2.890 N/A THR 72.A N ASN 69.A O no hydrogen 2.955 N/A THR 72.A OG1 PRO 67.A O no hydrogen 3.499 N/A THR 72.A OG1 ASN 69.A O no hydrogen 3.090 N/A ASP 73.A N ASP 3.A O no hydrogen 2.727 N/A LEU 74.A N ASP 3.A O no hydrogen 3.022 N/A VAL 75.A N GLN 135.A O no hydrogen 2.891 N/A SER 76.A N VAL 5.A O no hydrogen 3.044 N/A SER 76.A OG TYR 4.A OH no hydrogen 2.628 N/A ILE 77.A N VAL 137.A O no hydrogen 3.064 N/A THR 78.A OG1 ASP 9.A OD1 no hydrogen 2.799 N/A THR 78.A OG1 SER 12.A OG no hydrogen 2.531 N/A GLY 81.A N TYR 141.A OH no hydrogen 2.979 N/A ASN 82.A ND2 ALA 55.A O no hydrogen 3.033 N/A ALA 84.A N GLY 80.A O no hydrogen 3.112 N/A ALA 84.A N GLY 81.A O no hydrogen 3.143 N/A GLY 85.A N ASN 82.A O no hydrogen 2.970 N/A PHE 86.A N GLY 81.A O no hydrogen 3.001 N/A THR 89.A N GLY 85.A O no hydrogen 2.874 N/A THR 89.A OG1 GLY 85.A O no hydrogen 2.657 N/A MET 90.A N PHE 86.A O no hydrogen 2.817 N/A THR 91.A N ALA 87.A O no hydrogen 2.969 N/A THR 91.A OG1 ALA 87.A O no hydrogen 3.396 N/A THR 92.A N ASP 88.A O no hydrogen 2.959 N/A THR 92.A OG1 ASP 88.A O no hydrogen 3.232 N/A CYS 93.A N THR 89.A O no hydrogen 2.864 N/A CYS 93.A SG THR 89.A O no hydrogen 3.185 N/A ASN 94.A N MET 90.A O no hydrogen 3.127 N/A ASN 94.A N THR 91.A O no hydrogen 3.232 N/A ASN 94.A ND2 MET 90.A O no hydrogen 2.836 N/A ASN 94.A ND2 TYR 215.A OH no hydrogen 2.918 N/A LEU 95.A N THR 92.A O no hydrogen 3.134 N/A GLN 96.A N THR 92.A O no hydrogen 2.826 N/A CYS 101.A N GLY 97.A O no hydrogen 2.852 N/A CYS 101.A SG SER 159.A OG no hydrogen 3.603 N/A LEU 102.A N GLU 98.A O no hydrogen 2.734 N/A ALA 103.A N SER 99.A O no hydrogen 3.027 N/A ARG 104.A N ALA 100.A O no hydrogen 2.890 N/A ARG 104.A NE ASP 88.A OD1 no hydrogen 3.021 N/A ARG 104.A NH1 ARG 104.A O no hydrogen 3.033 N/A ARG 104.A NH2 ASP 88.A OD1 no hydrogen 3.515 N/A ILE 105.A N CYS 101.A O no hydrogen 2.851 N/A ALA 106.A N LEU 102.A O no hydrogen 2.856 N/A LYS 107.A N ALA 103.A O no hydrogen 3.029 N/A ALA 108.A N ARG 104.A O no hydrogen 2.924 N/A ARG 109.A N ILE 105.A O no hydrogen 2.658 N/A ARG 109.A NE ASP 169.A OD2 no hydrogen 2.658 N/A ARG 109.A NH2 ASP 169.A OD1 no hydrogen 3.243 N/A ARG 109.A NH2 ASP 169.A OD2 no hydrogen 3.046 N/A ALA 110.A N ALA 106.A O no hydrogen 2.873 N/A TYR 111.A N LYS 107.A O no hydrogen 3.091 N/A TYR 111.A OH GLN 119.A OE1 no hydrogen 2.518 N/A ILE 112.A N ALA 108.A O no hydrogen 2.914 N/A GLN 113.A N ARG 109.A O no hydrogen 2.968 N/A GLN 113.A NE2 ASP 169.A OD2 no hydrogen 2.502 N/A GLN 114.A N ALA 110.A O no hydrogen 2.969 N/A THR 115.A N TYR 111.A O no hydrogen 2.759 N/A LEU 116.A N TYR 111.A O no hydrogen 2.892 N/A GLN 119.A N LEU 116.A O no hydrogen 2.843 N/A LEU 120.A N LEU 116.A O no hydrogen 2.901 N/A ASP 121.A N PRO 117.A O no hydrogen 3.048 N/A GLN 122.A N ALA 118.A O no hydrogen 3.091 N/A VAL 123.A N GLN 119.A O no hydrogen 3.300 N/A TYR 124.A N LEU 120.A O no hydrogen 2.699 N/A ASP 125.A N ASP 121.A O no hydrogen 2.676 N/A ALA 126.A N GLN 122.A O no hydrogen 3.345 N/A ILE 127.A N VAL 123.A O no hydrogen 3.009 N/A ASP 128.A N TYR 124.A O no hydrogen 2.759 N/A SER 129.A N ASP 125.A O no hydrogen 2.989 N/A SER 129.A OG.B ASP 125.A O no hydrogen 2.941 N/A ARG 130.A N ALA 126.A O no hydrogen 2.909 N/A ALA 131.A N ILE 127.A O no hydrogen 2.939 N/A ALA 134.A N ALA 131.A O no hydrogen 3.124 N/A GLN 135.A N ASP 73.A O no hydrogen 2.820 N/A VAL 137.A N VAL 75.A O no hydrogen 2.725 N/A VAL 138.A N ALA 184.A O no hydrogen 2.778 N/A LEU 139.A N ILE 77.A O no hydrogen 2.871 N/A GLY 140.A N GLY 186.A O no hydrogen 2.884 N/A TYR 141.A N ASN 171.A OD1 no hydrogen 2.905 N/A TYR 141.A OH ASP 9.A OD2 no hydrogen 2.558 N/A ARG 143.A N ASN 189.A OD1 no hydrogen 2.898 N/A ARG 143.A NH1 ASP 168.A OD1 no hydrogen 3.086 N/A TYR 145.A N ASN 164.A OD1 no hydrogen 2.944 N/A TYR 145.A OH TYR 215.A OH no hydrogen 2.854 N/A LYS 146.A N LEU 197.A O no hydrogen 2.787 N/A VAL 153.A N CYS 151.A O no hydrogen 2.863 N/A SER 156.A OG GLU 98.A OE2 no hydrogen 2.581 N/A SER 156.A OG SER 159.A OG no hydrogen 3.148 N/A SER 159.A N SER 156.A OG no hydrogen 3.104 N/A SER 159.A OG SER 156.A OG no hydrogen 3.148 N/A ARG 160.A N SER 156.A O no hydrogen 2.891 N/A ARG 160.A NE LEU 155.A O no hydrogen 2.730 N/A ARG 160.A NH2 LEU 155.A O no hydrogen 2.763 N/A ALA 161.A N GLU 157.A O no hydrogen 2.918 N/A ALA 162.A N LYS 158.A O no hydrogen 2.891 N/A ILE 163.A N SER 159.A O no hydrogen 2.928 N/A ASN 164.A N ARG 160.A O no hydrogen 2.874 N/A ASN 164.A ND2 TYR 145.A O no hydrogen 2.807 N/A ALA 165.A N ALA 161.A O no hydrogen 2.875 N/A ALA 166.A N ALA 162.A O no hydrogen 3.004 N/A ALA 167.A N ILE 163.A O no hydrogen 3.036 N/A ASP 168.A N ASN 164.A O no hydrogen 2.764 N/A ASP 169.A N ALA 165.A O no hydrogen 2.695 N/A ILE 170.A N ALA 166.A O no hydrogen 2.850 N/A ASN 171.A N ALA 167.A O no hydrogen 2.864 N/A ASN 171.A ND2 TYR 141.A O no hydrogen 2.739 N/A ALA 172.A N ASP 168.A O no hydrogen 2.918 N/A VAL 173.A N ASP 169.A O no hydrogen 2.925 N/A THR 174.A N ILE 170.A O no hydrogen 2.877 N/A THR 174.A OG1 ILE 170.A O no hydrogen 2.590 N/A ALA 175.A N ASN 171.A O no hydrogen 2.809 N/A LYS 176.A N ALA 172.A O no hydrogen 3.183 N/A ARG 177.A N VAL 173.A O no hydrogen 2.983 N/A ARG 177.A NH1 ASP 121.A OD1 no hydrogen 2.978 N/A ARG 177.A NH1 ASP 180.A OD2 no hydrogen 2.919 N/A ALA 178.A N THR 174.A O no hydrogen 2.791 N/A ALA 179.A N ALA 175.A O no hydrogen 2.947 N/A ASP 180.A N LYS 176.A O no hydrogen 2.925 N/A HIS 181.A N ARG 177.A O no hydrogen 3.244 N/A HIS 181.A N ALA 178.A O no hydrogen 3.006 N/A HIS 181.A ND1 ASP 128.A OD2 no hydrogen 2.615 N/A HIS 181.A NE2 ASP 121.A OD1 no hydrogen 2.673 N/A GLY 182.A N ALA 179.A O no hydrogen 2.986 N/A PHE 183.A N ALA 178.A O no hydrogen 2.772 N/A ALA 184.A N VAL 136.A O no hydrogen 2.905 N/A GLY 186.A N VAL 138.A O no hydrogen 2.645 N/A ASN 189.A N ASP 187.A OD1 no hydrogen 2.941 N/A THR 190.A N ASP 187.A O no hydrogen 3.298 N/A THR 190.A OG1 ASP 187.A O no hydrogen 2.712 N/A THR 191.A N VAL 188.A O no hydrogen 3.160 N/A THR 191.A OG1 VAL 188.A O no hydrogen 3.037 N/A THR 191.A OG1 GLY 225.A O no hydrogen 2.693 N/A PHE 192.A N VAL 188.A O no hydrogen 2.862 N/A ALA 193.A N ASN 189.A O no hydrogen 3.149 N/A GLY 194.A N GLU 196.A OE1 no hydrogen 2.979 N/A GLY 194.A N GLU 196.A OE2 no hydrogen 3.468 N/A HIS 195.A N PHE 192.A O no hydrogen 2.696 N/A HIS 195.A ND1 ALA 201.A O no hydrogen 2.731 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.749 N/A LEU 197.A N PHE 144.A O no hydrogen 2.749 N/A SER 199.A N GLU 196.A O no hydrogen 3.116 N/A SER 199.A OG GLY 194.A O no hydrogen 3.271 N/A SER 199.A OG GLU 196.A O no hydrogen 2.620 N/A ALA 201.A N SER 199.A OG no hydrogen 2.929 N/A TRP 203.A N HIS 195.A O no hydrogen 2.840 N/A HIS 205.A N HIS 216.A O no hydrogen 2.794 N/A HIS 205.A NE2 GLY 16.A O no hydrogen 2.664 N/A THR 208.A N SER 214.A OG no hydrogen 2.980 N/A THR 208.A OG1 LEU 209.A O no hydrogen 3.413 N/A LEU 209.A N THR 208.A OG1 no hydrogen 2.652 N/A GLU 212.A N GLU 212.A OE1.B no hydrogen 2.781 N/A ASN 213.A N PRO 210.A O no hydrogen 2.992 N/A SER 214.A N VAL 211.A O no hydrogen 3.222 N/A SER 214.A OG VAL 211.A O no hydrogen 2.919 N/A TYR 215.A N HIS 205.A O no hydrogen 2.869 N/A TYR 215.A N SER 206.A O no hydrogen 3.404 N/A TYR 215.A OH TYR 145.A OH no hydrogen 2.854 N/A HIS 216.A N ASN 213.A O no hydrogen 2.998 N/A HIS 216.A ND1 SER 214.A O no hydrogen 2.903 N/A HIS 216.A NE2 SER 10.A OG no hydrogen 2.568 N/A THR 218.A N TRP 203.A O no hydrogen 2.895 N/A THR 218.A OG1 TRP 203.A O no hydrogen 3.353 N/A GLY 221.A N THR 218.A OG1 no hydrogen 3.010 N/A GLN 222.A N THR 218.A O no hydrogen 2.899 N/A GLN 222.A NE2 TYR 11.A O no hydrogen 2.992 N/A SER 223.A N ALA 219.A O no hydrogen 2.963 N/A SER 223.A OG ALA 219.A O no hydrogen 3.180 N/A SER 223.A OG ASN 220.A O no hydrogen 3.299 N/A LYS 224.A N ASN 220.A O no hydrogen 2.812 N/A LYS 224.A NZ ASN 220.A OD1 no hydrogen 3.196 N/A GLY 225.A N GLY 221.A O no hydrogen 2.869 N/A TYR 226.A N GLY 221.A O no hydrogen 2.880 N/A TYR 226.A OH GLY 140.A O no hydrogen 2.742 N/A LEU 227.A N GLN 222.A O no hydrogen 2.829 N/A LEU 230.A N TYR 226.A O no hydrogen 3.118 N/A ASN 231.A N LEU 227.A O no hydrogen 2.850 N/A SER 232.A N PRO 228.A O no hydrogen 2.890 N/A SER 232.A OG VAL 229.A O no hydrogen 2.865 N/A ALA 233.A N LEU 230.A O no hydrogen 3.020 N/A THR 234.A N ASN 231.A O no hydrogen 2.705 N/A THR 234.A OG1 ALA 233.A O no hydrogen 2.440 N/A