Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3smk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 6.A N MET 3.A O no hydrogen 3.123 N/A ARG 8.A NH1 GLU 45.A OE2 no hydrogen 2.978 N/A ARG 8.A NH2 GLU 45.A OE1 no hydrogen 2.806 N/A LEU 11.A N GLU 7.A O no hydrogen 2.936 N/A ILE 12.A N ARG 8.A O no hydrogen 3.179 N/A GLN 13.A N ALA 9.A O no hydrogen 2.993 N/A GLN 13.A NE2.B ALA 9.A O no hydrogen 3.114 N/A LYS 14.A N SER 10.A O no hydrogen 2.934 N/A ALA 15.A N LEU 11.A O no hydrogen 2.758 N/A LYS 16.A N ILE 12.A O no hydrogen 3.103 N/A LEU 17.A N GLN 13.A O no hydrogen 3.131 N/A ALA 18.A N LYS 14.A O no hydrogen 2.815 N/A GLU 19.A N ALA 15.A O no hydrogen 2.996 N/A GLN 20.A N LYS 16.A O no hydrogen 3.139 N/A ALA 21.A N LEU 17.A O no hydrogen 2.875 N/A GLU 22.A N GLU 19.A O no hydrogen 2.897 N/A ARG 23.A N ALA 18.A O no hydrogen 2.747 N/A ARG 23.A NE ASP 26.A OD2 no hydrogen 2.779 N/A ARG 23.A NH2 ASP 26.A OD1 no hydrogen 3.496 N/A ARG 23.A NH2 ASP 26.A OD2 no hydrogen 2.755 N/A MET 27.A N ARG 23.A O no hydrogen 2.867 N/A ALA 28.A N TYR 24.A O no hydrogen 2.939 N/A ALA 29.A N GLU 25.A O no hydrogen 2.966 N/A PHE 30.A N ASP 26.A O no hydrogen 2.877 N/A MET 31.A N MET 27.A O no hydrogen 2.929 N/A LYS 32.A N ALA 28.A O no hydrogen 2.813 N/A LYS 32.A NZ GLU 36.A OE1 no hydrogen 3.433 N/A LYS 32.A NZ GLU 36.A OE2 no hydrogen 2.709 N/A GLY 33.A N ALA 29.A O no hydrogen 2.900 N/A ALA 34.A N PHE 30.A O no hydrogen 2.882 N/A VAL 35.A N MET 31.A O no hydrogen 2.952 N/A GLU 36.A N LYS 32.A O no hydrogen 3.079 N/A LYS 37.A N ALA 34.A O no hydrogen 3.028 N/A LYS 37.A NZ MET 3.A O no hydrogen 3.540 N/A LYS 37.A NZ MET 6.A O no hydrogen 2.674 N/A GLY 38.A N VAL 35.A O no hydrogen 3.091 N/A SER 42.A N GLU 45.A OE1 no hydrogen 2.736 N/A GLU 45.A N SER 42.A OG no hydrogen 3.217 N/A ARG 46.A N SER 42.A O no hydrogen 2.883 N/A ASN 47.A N VAL 43.A O no hydrogen 2.938 N/A LEU 48.A N GLU 44.A O no hydrogen 3.004 N/A LEU 49.A N GLU 45.A O no hydrogen 2.989 N/A SER 50.A N ARG 46.A O no hydrogen 2.999 N/A SER 50.A OG.A ASN 47.A O no hydrogen 3.236 N/A SER 50.A OG.B ARG 46.A O no hydrogen 3.322 N/A SER 50.A OG.B ASN 47.A O no hydrogen 2.732 N/A VAL 51.A N ASN 47.A O no hydrogen 3.003 N/A ALA 52.A N LEU 48.A O no hydrogen 2.940 N/A TYR 53.A N LEU 49.A O no hydrogen 3.187 N/A LYS 54.A N SER 50.A O no hydrogen 2.830 N/A ASN 55.A N VAL 51.A O no hydrogen 3.017 N/A ASN 55.A ND2 VAL 51.A O no hydrogen 2.993 N/A VAL 56.A N ALA 52.A O no hydrogen 3.070 N/A VAL 57.A N TYR 53.A O no hydrogen 2.959 N/A GLY 58.A N LYS 54.A O no hydrogen 2.898 N/A GLY 59.A N ASN 55.A O no hydrogen 3.018 N/A GLN 60.A N VAL 56.A O no hydrogen 3.181 N/A GLN 60.A NE2 GLU 89.A OE2.B no hydrogen 2.824 N/A ARG 61.A N VAL 57.A O no hydrogen 2.751 N/A ARG 61.A NE GLU 131.A OE1 no hydrogen 3.036 N/A ARG 61.A NH2 GLU 131.A OE2 no hydrogen 2.961 N/A ALA 62.A N GLY 58.A O no hydrogen 3.025 N/A ALA 63.A N GLY 59.A O no hydrogen 3.074 N/A TRP 64.A N GLN 60.A O no hydrogen 2.849 N/A TRP 64.A NE1 GLU 87.A OE1 no hydrogen 2.933 N/A ARG 65.A N ARG 61.A O no hydrogen 2.934 N/A VAL 66.A N ALA 62.A O no hydrogen 3.236 N/A LEU 67.A N ALA 63.A O no hydrogen 3.074 N/A SER 68.A N TRP 64.A O no hydrogen 2.820 N/A SER 68.A OG.B TRP 64.A O no hydrogen 3.302 N/A SER 69.A N ARG 65.A O no hydrogen 2.885 N/A SER 69.A OG.B ARG 65.A O no hydrogen 2.837 N/A ILE 70.A N VAL 66.A O no hydrogen 3.018 N/A GLU 71.A N LEU 67.A O no hydrogen 2.808 N/A GLN 72.A N SER 68.A O no hydrogen 2.965 N/A LYS 73.A N SER 69.A O no hydrogen 3.062 N/A SER 74.A N ILE 70.A O no hydrogen 2.881 N/A SER 74.A OG GLU 71.A O no hydrogen 3.521 N/A ASN 75.A N GLN 72.A O no hydrogen 2.901 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.768 N/A ARG 80.A NH1 GLU 84.A OE2.A no hydrogen 3.140 N/A GLU 81.A N PRO 77.A O no hydrogen 2.835 N/A TYR 82.A N GLU 78.A O no hydrogen 2.940 N/A ARG 83.A N VAL 79.A O no hydrogen 2.896 N/A ARG 83.A NE GLU 71.A OE1 no hydrogen 2.735 N/A ARG 83.A NH1 GLU 84.A OE2.B no hydrogen 2.735 N/A ARG 83.A NH1 GLU 87.A OE1 no hydrogen 2.968 N/A ARG 83.A NH2 GLU 71.A OE1 no hydrogen 3.374 N/A ARG 83.A NH2 GLU 71.A OE2 no hydrogen 2.832 N/A GLU 84.A N ARG 80.A O no hydrogen 2.949 N/A LYS 85.A N GLU 81.A O no hydrogen 3.069 N/A LYS 85.A NZ.B GLU 89.A OE2.A no hydrogen 2.438 N/A VAL 86.A N TYR 82.A O no hydrogen 3.022 N/A GLU 87.A N ARG 83.A O no hydrogen 2.889 N/A THR 88.A N GLU 84.A O no hydrogen 2.917 N/A THR 88.A OG1.A GLU 84.A O no hydrogen 2.504 N/A THR 88.A OG1.B GLU 84.A O no hydrogen 3.519 N/A THR 88.A OG1.B LYS 85.A O no hydrogen 3.228 N/A GLU 89.A N LYS 85.A O no hydrogen 3.069 N/A LEU 90.A N VAL 86.A O no hydrogen 2.756 N/A GLN 91.A N GLU 87.A O no hydrogen 2.860 N/A GLY 92.A N THR 88.A O no hydrogen 3.005 N/A VAL 93.A N GLU 89.A O no hydrogen 3.070 N/A CYS 94.A N LEU 90.A O no hydrogen 3.017 N/A CYS 94.A SG LEU 90.A O no hydrogen 3.517 N/A CYS 94.A SG TYR 125.A O no hydrogen 3.893 N/A ASP 95.A N GLN 91.A O no hydrogen 2.814 N/A THR 96.A N GLY 92.A O no hydrogen 2.989 N/A THR 96.A OG1 GLY 92.A O no hydrogen 2.885 N/A VAL 97.A N VAL 93.A O no hydrogen 2.946 N/A LEU 98.A N CYS 94.A O no hydrogen 3.010 N/A GLY 99.A N ASP 95.A O no hydrogen 2.817 N/A LEU 100.A N THR 96.A O no hydrogen 2.890 N/A LEU 101.A N VAL 97.A O no hydrogen 2.846 N/A ASP 102.A N LEU 98.A O no hydrogen 2.864 N/A SER 103.A N GLY 99.A O no hydrogen 2.884 N/A SER 103.A OG GLY 99.A O no hydrogen 3.203 N/A HIS 104.A N LEU 100.A O no hydrogen 3.092 N/A LEU 105.A N LEU 100.A O no hydrogen 3.421 N/A ILE 106.A N LEU 101.A O no hydrogen 3.041 N/A LYS 107.A NZ ASP 102.A O no hydrogen 3.077 N/A ALA 109.A N ILE 106.A O no hydrogen 3.115 N/A SER 114.A OG ASP 111.A O no hydrogen 3.289 N/A ARG 115.A N ASP 111.A O no hydrogen 3.118 N/A ARG 115.A NE.A GLU 151.A OE1.B no hydrogen 3.297 N/A ARG 115.A NH2.A GLU 151.A OE1.B no hydrogen 3.101 N/A VAL 116.A N ALA 112.A O no hydrogen 3.015 N/A PHE 117.A N GLU 113.A O no hydrogen 3.055 N/A TYR 118.A N SER 114.A O no hydrogen 3.013 N/A LEU 119.A N ARG 115.A O no hydrogen 2.952 N/A LYS 120.A N VAL 116.A O no hydrogen 2.760 N/A LYS 120.A NZ ASP 124.A OD2 no hydrogen 2.810 N/A MET 121.A N PHE 117.A O no hydrogen 3.094 N/A LYS 122.A N TYR 118.A O no hydrogen 2.917 N/A GLY 123.A N LEU 119.A O no hydrogen 2.907 N/A ASP 124.A N LYS 120.A O no hydrogen 2.883 N/A TYR 125.A N MET 121.A O no hydrogen 3.065 N/A TYR 126.A N LYS 122.A O no hydrogen 3.039 N/A ARG 127.A N GLY 123.A O no hydrogen 2.753 N/A ARG 127.A NE TYR 149.A OH no hydrogen 2.936 N/A ARG 127.A NH2 ASP 124.A OD1 no hydrogen 3.388 N/A TYR 128.A N ASP 124.A O no hydrogen 2.861 N/A LEU 129.A N TYR 125.A O no hydrogen 3.085 N/A ALA 130.A N TYR 126.A O no hydrogen 2.853 N/A GLU 131.A N ARG 127.A O no hydrogen 2.890 N/A VAL 132.A N LEU 129.A O no hydrogen 3.290 N/A ALA 133.A N ALA 130.A O no hydrogen 3.355 N/A LYS 138.A N GLY 135.A O no hydrogen 3.344 N/A ARG 140.A NH1 ASP 137.A OD1 no hydrogen 3.460 N/A ILE 141.A N ASP 137.A O no hydrogen 2.902 N/A ILE 141.A N LYS 138.A O no hydrogen 3.069 N/A ILE 142.A N LYS 138.A O no hydrogen 2.998 N/A ASP 143.A N LYS 139.A O no hydrogen 3.068 N/A SER 144.A N ARG 140.A O no hydrogen 3.125 N/A SER 144.A OG ARG 140.A O no hydrogen 3.144 N/A ALA 145.A N ILE 141.A O no hydrogen 3.080 N/A ARG 146.A N ILE 142.A O no hydrogen 2.974 N/A ARG 146.A NE.A ASP 143.A OD1 no hydrogen 2.913 N/A ARG 146.A NE.A ASP 143.A OD2 no hydrogen 3.074 N/A ARG 146.A NE.B ASP 143.A OD2 no hydrogen 3.175 N/A ARG 146.A NH2.A ASP 143.A OD1 no hydrogen 2.469 N/A SER 147.A N ASP 143.A O no hydrogen 2.869 N/A SER 147.A OG.B ASP 143.A O no hydrogen 2.881 N/A SER 147.A OG.B ASP 143.A OD1 no hydrogen 3.067 N/A ALA 148.A N SER 144.A O no hydrogen 3.096 N/A TYR 149.A N ALA 145.A O no hydrogen 3.002 N/A TYR 149.A OH ASP 124.A OD1 no hydrogen 2.555 N/A GLN 150.A N ARG 146.A O no hydrogen 2.764 N/A GLN 150.A NE2 GLN 150.A O no hydrogen 3.355 N/A GLN 150.A NE2 ASP 154.A OD1 no hydrogen 3.155 N/A GLU 151.A N SER 147.A O no hydrogen 3.134 N/A ALA 152.A N ALA 148.A O no hydrogen 2.958 N/A MET 153.A N TYR 149.A O no hydrogen 2.758 N/A ASP 154.A N GLN 150.A O no hydrogen 2.863 N/A ILE 155.A N GLU 151.A O no hydrogen 3.056 N/A SER 156.A N ALA 152.A O no hydrogen 2.974 N/A SER 156.A OG ALA 152.A O no hydrogen 3.463 N/A SER 156.A OG MET 153.A O no hydrogen 3.270 N/A LYS 157.A N MET 153.A O no hydrogen 2.871 N/A LYS 158.A N ASP 154.A O no hydrogen 3.106 N/A GLU 159.A N ILE 155.A O no hydrogen 2.715 N/A MET 160.A N SER 156.A O no hydrogen 2.914 N/A HIS 164.A N PRO 161.A O no hydrogen 2.910 N/A ILE 166.A N HIS 164.A ND1 no hydrogen 3.111 N/A ARG 167.A NH1 MET 160.A O no hydrogen 2.954 N/A LEU 168.A N HIS 164.A O no hydrogen 2.931 N/A GLY 169.A N PRO 165.A O no hydrogen 2.817 N/A LEU 170.A N ILE 166.A O no hydrogen 2.899 N/A ALA 171.A N ARG 167.A O no hydrogen 2.995 N/A LEU 172.A N LEU 168.A O no hydrogen 2.815 N/A ASN 173.A N GLY 169.A O no hydrogen 3.081 N/A ASN 173.A ND2 ASP 124.A OD1 no hydrogen 2.870 N/A ASN 173.A ND2 ASP 124.A OD2 no hydrogen 3.391 N/A PHE 174.A N LEU 170.A O no hydrogen 2.819 N/A SER 175.A N ALA 171.A O no hydrogen 2.857 N/A SER 175.A OG ALA 188.A O no hydrogen 2.927 N/A VAL 176.A N LEU 172.A O no hydrogen 3.132 N/A PHE 177.A N ASN 173.A O no hydrogen 2.837 N/A HIS 178.A N PHE 174.A O no hydrogen 2.957 N/A TYR 179.A N SER 175.A O no hydrogen 2.968 N/A TYR 179.A N VAL 176.A O no hydrogen 3.048 N/A GLU 180.A N VAL 176.A O no hydrogen 2.939 N/A ILE 181.A N PHE 177.A O no hydrogen 3.009 N/A ALA 182.A N PHE 177.A O no hydrogen 2.915 N/A SER 184.A N HIS 178.A O no hydrogen 2.704 N/A SER 184.A OG ALA 182.A O no hydrogen 3.159 N/A ALA 188.A N SER 184.A O no hydrogen 2.990 N/A ILE 189.A N PRO 185.A O no hydrogen 2.798 N/A SER 190.A N GLU 186.A O no hydrogen 2.917 N/A SER 190.A OG.A GLU 186.A O no hydrogen 3.040 N/A LEU 191.A N GLU 187.A O no hydrogen 2.932 N/A ALA 192.A N ALA 188.A O no hydrogen 3.008 N/A LYS 193.A N ILE 189.A O no hydrogen 2.912 N/A LYS 193.A NZ.B ASP 197.A OD2 no hydrogen 2.835 N/A THR 194.A N SER 190.A O no hydrogen 2.938 N/A THR 194.A OG1.A SER 190.A O no hydrogen 2.847 N/A THR 194.A OG1.B SER 190.A O no hydrogen 2.989 N/A THR 194.A OG1.B LEU 191.A O no hydrogen 3.340 N/A THR 195.A N LEU 191.A O no hydrogen 2.966 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.766 N/A PHE 196.A N ALA 192.A O no hydrogen 2.854 N/A ASP 197.A N LYS 193.A O no hydrogen 2.948 N/A GLU 198.A N THR 194.A O no hydrogen 2.890 N/A ALA 199.A N THR 195.A O no hydrogen 3.033 N/A MET 200.A N PHE 196.A O no hydrogen 2.919 N/A ALA 201.A N ASP 197.A O no hydrogen 3.381 N/A ASP 202.A N ALA 199.A O no hydrogen 2.982 N/A LEU 203.A N MET 200.A O no hydrogen 3.356 N/A THR 205.A N ASP 202.A O no hydrogen 3.006 N/A THR 205.A OG1 ASP 202.A O no hydrogen 2.928 N/A SER 210.A OG THR 163.A O no hydrogen 3.537 N/A THR 211.A N TYR 207.A O no hydrogen 2.815 N/A THR 211.A OG1 TYR 207.A O no hydrogen 3.287 N/A THR 211.A OG1 LYS 208.A O no hydrogen 3.423 N/A LEU 212.A N LYS 208.A O no hydrogen 2.860 N/A ILE 213.A N ASP 209.A O no hydrogen 2.904 N/A MET 214.A N SER 210.A O no hydrogen 2.867 N/A GLN 215.A N THR 211.A O no hydrogen 2.999 N/A GLN 215.A NE2 ASP 219.A OD1 no hydrogen 2.836 N/A LEU 216.A N LEU 212.A O no hydrogen 3.148 N/A LEU 217.A N ILE 213.A O no hydrogen 2.875 N/A ARG 218.A N MET 214.A O no hydrogen 2.845 N/A ASP 219.A N GLN 215.A O no hydrogen 2.754 N/A ASN 220.A N LEU 216.A O no hydrogen 2.973 N/A LEU 221.A N LEU 217.A O no hydrogen 2.942 N/A THR 222.A N ARG 218.A O no hydrogen 2.894 N/A THR 222.A OG1 ARG 218.A O no hydrogen 2.974 N/A LEU 223.A N ASP 219.A O no hydrogen 2.886 N/A TRP 224.A N ASN 220.A O no hydrogen 2.847 N/A TRP 224.A N LEU 221.A O no hydrogen 3.214 N/A THR 225.A N LEU 221.A O no hydrogen 2.941 N/A THR 225.A OG1 LEU 221.A O no hydrogen 2.687 N/A