Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3smo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N MET 2.A O no hydrogen 3.081 N/A ARG 7.A NH1 GLU 44.A OE1 no hydrogen 3.464 N/A ARG 7.A NH1 GLU 44.A OE2 no hydrogen 2.943 N/A ARG 7.A NH2 GLU 44.A OE1 no hydrogen 2.711 N/A SER 9.A OG.B GLU 6.A O no hydrogen 2.653 N/A LEU 10.A N GLU 6.A O no hydrogen 2.912 N/A ILE 11.A N.A ARG 7.A O no hydrogen 2.961 N/A ILE 11.A N.B ARG 7.A O no hydrogen 3.012 N/A GLN 12.A N ALA 8.A O no hydrogen 2.868 N/A GLN 12.A NE2.B ALA 8.A O no hydrogen 3.336 N/A LYS 13.A N SER 9.A O no hydrogen 2.778 N/A ALA 14.A N LEU 10.A O no hydrogen 2.785 N/A LYS 15.A N ILE 11.A O.A no hydrogen 3.046 N/A LYS 15.A N ILE 11.A O.B no hydrogen 3.107 N/A LYS 15.A NZ.A GLU 43.A OE2.A no hydrogen 3.195 N/A LEU 16.A N GLN 12.A O no hydrogen 3.026 N/A ALA 17.A N LYS 13.A O no hydrogen 2.799 N/A GLU 18.A N ALA 14.A O no hydrogen 2.945 N/A GLN 19.A N LYS 15.A O no hydrogen 3.131 N/A GLN 19.A NE2.A LYS 15.A O no hydrogen 3.570 N/A ALA 20.A N LEU 16.A O no hydrogen 2.940 N/A GLU 21.A N GLU 18.A O no hydrogen 3.000 N/A ARG 22.A N ALA 17.A O no hydrogen 2.780 N/A ARG 22.A NE ASP 25.A OD2 no hydrogen 2.903 N/A ARG 22.A NH2 ASP 25.A OD2 no hydrogen 2.799 N/A MET 26.A N ARG 22.A O no hydrogen 2.901 N/A ALA 27.A N TYR 23.A O no hydrogen 2.862 N/A ALA 28.A N GLU 24.A O no hydrogen 2.916 N/A PHE 29.A N ASP 25.A O no hydrogen 2.787 N/A MET 30.A N MET 26.A O no hydrogen 2.839 N/A LYS 31.A N ALA 27.A O no hydrogen 2.727 N/A LYS 31.A NZ GLU 35.A OE1.B no hydrogen 3.183 N/A LYS 31.A NZ GLU 35.A OE2.A no hydrogen 2.706 N/A GLY 32.A N ALA 28.A O no hydrogen 2.973 N/A ALA 33.A N PHE 29.A O no hydrogen 2.888 N/A VAL 34.A N MET 30.A O no hydrogen 2.856 N/A GLU 35.A N LYS 31.A O no hydrogen 2.909 N/A LYS 36.A N ALA 33.A O no hydrogen 3.120 N/A LYS 36.A NZ MET 2.A O no hydrogen 3.385 N/A LYS 36.A NZ MET 5.A O no hydrogen 2.751 N/A GLY 37.A N VAL 34.A O no hydrogen 2.953 N/A SER 41.A N GLU 44.A OE1 no hydrogen 2.804 N/A GLU 44.A N SER 41.A OG no hydrogen 3.081 N/A ARG 45.A N SER 41.A O no hydrogen 2.859 N/A ASN 46.A N VAL 42.A O no hydrogen 2.987 N/A ASN 46.A ND2 GLU 43.A OE2.B no hydrogen 2.947 N/A LEU 47.A N GLU 43.A O no hydrogen 2.991 N/A LEU 48.A N GLU 44.A O no hydrogen 2.965 N/A SER 49.A N ARG 45.A O no hydrogen 2.931 N/A SER 49.A OG.B ARG 45.A O no hydrogen 3.528 N/A SER 49.A OG.B ASN 46.A O no hydrogen 3.001 N/A VAL 50.A N ASN 46.A O no hydrogen 2.892 N/A ALA 51.A N LEU 47.A O no hydrogen 2.965 N/A TYR 52.A N LEU 48.A O no hydrogen 3.197 N/A LYS 53.A N.A SER 49.A O no hydrogen 2.851 N/A LYS 53.A N.B SER 49.A O no hydrogen 2.822 N/A LYS 53.A NZ.B SER 49.A OG.A no hydrogen 2.742 N/A LYS 53.A NZ.B SER 49.A OG.B no hydrogen 2.936 N/A ASN 54.A N VAL 50.A O no hydrogen 2.994 N/A ASN 54.A ND2 VAL 50.A O no hydrogen 2.821 N/A VAL 55.A N ALA 51.A O no hydrogen 3.005 N/A VAL 56.A N TYR 52.A O no hydrogen 2.840 N/A GLY 57.A N LYS 53.A O.A no hydrogen 2.852 N/A GLY 57.A N LYS 53.A O.B no hydrogen 2.841 N/A GLY 58.A N ASN 54.A O no hydrogen 3.061 N/A GLN 59.A N VAL 55.A O no hydrogen 3.150 N/A ARG 60.A N VAL 56.A O no hydrogen 2.750 N/A ARG 60.A NE GLU 137.A OE1 no hydrogen 2.827 N/A ARG 60.A NH2 GLU 137.A OE1 no hydrogen 3.531 N/A ARG 60.A NH2 GLU 137.A OE2 no hydrogen 2.837 N/A ALA 61.A N GLY 57.A O no hydrogen 2.972 N/A ALA 62.A N GLY 58.A O no hydrogen 3.067 N/A TRP 63.A N GLN 59.A O no hydrogen 2.815 N/A TRP 63.A NE1 GLU 93.A OE1 no hydrogen 2.770 N/A ARG 64.A N ARG 60.A O no hydrogen 2.841 N/A VAL 65.A N ALA 61.A O no hydrogen 3.094 N/A LEU 66.A N ALA 62.A O no hydrogen 2.975 N/A SER 67.A N TRP 63.A O no hydrogen 2.695 N/A SER 67.A OG.B TRP 63.A O no hydrogen 3.105 N/A SER 68.A N ARG 64.A O no hydrogen 2.933 N/A SER 68.A OG.A ARG 64.A O no hydrogen 3.332 N/A SER 68.A OG.A VAL 65.A O no hydrogen 2.703 N/A ILE 69.A N VAL 65.A O no hydrogen 3.058 N/A GLU 70.A N LEU 66.A O no hydrogen 2.845 N/A GLN 71.A N SER 67.A O no hydrogen 2.869 N/A LYS 72.A N SER 68.A O no hydrogen 3.040 N/A SER 73.A N ILE 69.A O no hydrogen 2.948 N/A SER 73.A OG.A GLU 70.A O no hydrogen 2.538 N/A SER 73.A OG.A ASN 74.A OD1 no hydrogen 3.218 N/A SER 73.A OG.B ILE 69.A O no hydrogen 3.219 N/A ASN 74.A N GLN 71.A O no hydrogen 3.018 N/A GLU 75.A N LYS 72.A O no hydrogen 3.164 N/A SER 78.A N GLU 75.A O no hydrogen 3.213 N/A GLY 82.A N GLU 80.A OE2 no hydrogen 2.900 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 2.726 N/A ARG 86.A NH1 GLU 90.A OE2 no hydrogen 3.207 N/A GLU 87.A N PRO 83.A O no hydrogen 2.762 N/A TYR 88.A N GLU 84.A O no hydrogen 2.897 N/A ARG 89.A N VAL 85.A O no hydrogen 2.785 N/A ARG 89.A NE GLU 70.A OE1 no hydrogen 2.697 N/A ARG 89.A NH1 GLU 93.A OE1 no hydrogen 2.870 N/A ARG 89.A NH2 GLU 70.A OE1 no hydrogen 3.323 N/A ARG 89.A NH2 GLU 70.A OE2 no hydrogen 2.830 N/A GLU 90.A N ARG 86.A O no hydrogen 2.848 N/A LYS 91.A N GLU 87.A O no hydrogen 2.895 N/A VAL 92.A N TYR 88.A O no hydrogen 2.970 N/A GLU 93.A N ARG 89.A O no hydrogen 2.787 N/A THR 94.A N GLU 90.A O no hydrogen 2.815 N/A THR 94.A OG1 GLU 90.A O no hydrogen 2.888 N/A GLU 95.A N LYS 91.A O no hydrogen 3.039 N/A LEU 96.A N VAL 92.A O no hydrogen 2.868 N/A GLN 97.A N GLU 93.A O no hydrogen 2.809 N/A GLY 98.A N THR 94.A O no hydrogen 2.917 N/A VAL 99.A N GLU 95.A O no hydrogen 3.050 N/A CYS 100.A N LEU 96.A O no hydrogen 2.914 N/A CYS 100.A SG LEU 96.A O no hydrogen 3.428 N/A CYS 100.A SG TYR 131.A O no hydrogen 3.744 N/A ASP 101.A N GLN 97.A O no hydrogen 2.811 N/A THR 102.A N GLY 98.A O no hydrogen 2.877 N/A THR 102.A OG1 GLY 98.A O no hydrogen 2.950 N/A VAL 103.A N VAL 99.A O no hydrogen 2.991 N/A LEU 104.A N CYS 100.A O no hydrogen 2.861 N/A GLY 105.A N ASP 101.A O no hydrogen 2.809 N/A LEU 106.A N THR 102.A O no hydrogen 3.021 N/A LEU 107.A N VAL 103.A O no hydrogen 2.916 N/A ASP 108.A N LEU 104.A O no hydrogen 2.887 N/A SER 109.A N GLY 105.A O no hydrogen 2.744 N/A SER 109.A OG.A GLY 105.A O no hydrogen 3.547 N/A SER 109.A OG.B GLY 105.A O no hydrogen 2.429 N/A LEU 111.A N LEU 106.A O no hydrogen 3.303 N/A ILE 112.A N LEU 107.A O no hydrogen 2.844 N/A GLU 114.A N HIS 110.A O no hydrogen 3.342 N/A ALA 115.A N ILE 112.A O no hydrogen 2.988 N/A SER 120.A N ASP 117.A O no hydrogen 3.115 N/A SER 120.A OG.A ASP 117.A O no hydrogen 2.899 N/A ARG 121.A N ASP 117.A O no hydrogen 2.831 N/A ARG 121.A NH1 ALA 115.A O no hydrogen 3.080 N/A ARG 121.A NH2 GLU 157.A OE2.A no hydrogen 3.389 N/A VAL 122.A N ALA 118.A O no hydrogen 2.872 N/A TYR 124.A N SER 120.A O no hydrogen 2.984 N/A LEU 125.A N ARG 121.A O no hydrogen 2.960 N/A LYS 126.A N VAL 122.A O no hydrogen 2.812 N/A LYS 126.A NZ ASP 130.A OD2 no hydrogen 2.849 N/A MET 127.A N PHE 123.A O no hydrogen 2.996 N/A LYS 128.A N TYR 124.A O no hydrogen 2.920 N/A GLY 129.A N LEU 125.A O no hydrogen 2.868 N/A ASP 130.A N LYS 126.A O no hydrogen 2.779 N/A TYR 131.A N MET 127.A O no hydrogen 2.853 N/A TYR 132.A N LYS 128.A O no hydrogen 3.036 N/A ARG 133.A N GLY 129.A O no hydrogen 2.782 N/A ARG 133.A NE TYR 155.A OH no hydrogen 2.843 N/A ARG 133.A NH2 ASP 130.A OD1 no hydrogen 3.346 N/A ARG 133.A NH2 TYR 155.A OH no hydrogen 3.516 N/A TYR 134.A N ASP 130.A O no hydrogen 2.873 N/A LEU 135.A N TYR 131.A O no hydrogen 3.009 N/A ALA 136.A N TYR 132.A O no hydrogen 2.751 N/A GLU 137.A N ARG 133.A O no hydrogen 2.876 N/A GLU 137.A N TYR 134.A O no hydrogen 3.215 N/A VAL 138.A N LEU 135.A O no hydrogen 3.212 N/A ALA 139.A N ALA 136.A O no hydrogen 3.330 N/A LYS 144.A N GLY 141.A O no hydrogen 3.164 N/A LYS 144.A NZ.A ALA 139.A O no hydrogen 3.183 N/A ARG 146.A NE ASP 143.A OD1.A no hydrogen 3.273 N/A ARG 146.A NH1 ASP 143.A OD1.A no hydrogen 3.453 N/A ILE 147.A N ASP 143.A O no hydrogen 2.799 N/A ILE 148.A N LYS 144.A O no hydrogen 2.913 N/A ASP 149.A N LYS 145.A O no hydrogen 2.911 N/A SER 150.A N ARG 146.A O no hydrogen 2.929 N/A SER 150.A OG.A ARG 146.A O no hydrogen 3.215 N/A SER 150.A OG.B ARG 146.A O no hydrogen 3.278 N/A SER 150.A OG.B ILE 147.A O no hydrogen 2.437 N/A ALA 151.A N ILE 147.A O no hydrogen 3.020 N/A ARG 152.A N ILE 148.A O no hydrogen 2.877 N/A ARG 152.A NE.B ASP 149.A OD1.A no hydrogen 2.710 N/A ARG 152.A NH2.B ASP 149.A OD1.A no hydrogen 3.529 N/A ARG 152.A NH2.B ASP 149.A OD2.A no hydrogen 3.249 N/A ARG 152.A NH2.B ASP 149.A OD2.B no hydrogen 3.117 N/A SER 153.A N ASP 149.A O no hydrogen 2.758 N/A SER 153.A OG.B ASP 149.A O no hydrogen 3.099 N/A SER 153.A OG.B ASP 149.A OD2.B no hydrogen 3.526 N/A ALA 154.A N SER 150.A O no hydrogen 3.099 N/A TYR 155.A N ALA 151.A O no hydrogen 2.940 N/A TYR 155.A OH ASP 130.A OD1 no hydrogen 2.502 N/A GLN 156.A N ARG 152.A O no hydrogen 2.747 N/A GLN 156.A NE2 GLN 156.A O no hydrogen 3.355 N/A GLN 156.A NE2 ASP 160.A OD1 no hydrogen 2.906 N/A GLU 157.A N SER 153.A O no hydrogen 2.918 N/A ALA 158.A N ALA 154.A O no hydrogen 3.008 N/A MET 159.A N TYR 155.A O no hydrogen 2.756 N/A ASP 160.A N GLN 156.A O no hydrogen 2.858 N/A ILE 161.A N GLU 157.A O no hydrogen 3.057 N/A SER 162.A N ALA 158.A O no hydrogen 2.897 N/A SER 162.A OG.A ALA 158.A O no hydrogen 3.214 N/A SER 162.A OG.A MET 159.A O no hydrogen 3.012 N/A LYS 163.A N MET 159.A O no hydrogen 2.842 N/A LYS 164.A N ASP 160.A O no hydrogen 3.276 N/A GLU 165.A N ILE 161.A O no hydrogen 2.809 N/A MET 166.A N SER 162.A O no hydrogen 3.061 N/A THR 169.A OG1.A ASP 208.A OD1.A no hydrogen 2.705 N/A THR 169.A OG1.B ALA 205.A O no hydrogen 3.263 N/A THR 169.A OG1.B ASP 208.A OD1.A no hydrogen 3.039 N/A HIS 170.A N PRO 167.A O no hydrogen 2.922 N/A ILE 172.A N HIS 170.A ND1 no hydrogen 3.000 N/A ARG 173.A NH1.A MET 166.A O no hydrogen 2.905 N/A ARG 173.A NH1.B ARG 173.A O no hydrogen 3.227 N/A LEU 174.A N HIS 170.A O no hydrogen 2.948 N/A GLY 175.A N PRO 171.A O no hydrogen 2.799 N/A LEU 176.A N ILE 172.A O no hydrogen 2.882 N/A ALA 177.A N ARG 173.A O no hydrogen 2.970 N/A LEU 178.A N LEU 174.A O no hydrogen 2.834 N/A ASN 179.A N GLY 175.A O no hydrogen 2.980 N/A ASN 179.A ND2 ASP 130.A OD1 no hydrogen 2.885 N/A ASN 179.A ND2 ASP 130.A OD2 no hydrogen 3.416 N/A PHE 180.A N LEU 176.A O no hydrogen 2.811 N/A SER 181.A N ALA 177.A O no hydrogen 2.862 N/A SER 181.A OG.A ALA 194.A O no hydrogen 2.714 N/A SER 181.A OG.B ALA 177.A O no hydrogen 2.959 N/A SER 181.A OG.B LEU 178.A O no hydrogen 2.740 N/A VAL 182.A N LEU 178.A O no hydrogen 2.973 N/A PHE 183.A N ASN 179.A O no hydrogen 2.805 N/A HIS 184.A N PHE 180.A O no hydrogen 2.873 N/A TYR 185.A N SER 181.A O no hydrogen 2.948 N/A GLU 186.A N VAL 182.A O no hydrogen 2.817 N/A ILE 187.A N PHE 183.A O no hydrogen 2.909 N/A ALA 188.A N PHE 183.A O no hydrogen 2.960 N/A SER 190.A N HIS 184.A O no hydrogen 2.728 N/A SER 190.A OG ALA 188.A O no hydrogen 3.044 N/A ALA 194.A N SER 190.A O no hydrogen 2.955 N/A ILE 195.A N PRO 191.A O no hydrogen 2.884 N/A SER 196.A N GLU 192.A O no hydrogen 2.928 N/A SER 196.A OG.B GLU 192.A O no hydrogen 3.265 N/A SER 196.A OG.C GLU 192.A O no hydrogen 2.982 N/A SER 196.A OG.C GLU 193.A O no hydrogen 2.944 N/A LEU 197.A N GLU 193.A O no hydrogen 2.830 N/A ALA 198.A N ALA 194.A O no hydrogen 2.998 N/A LYS 199.A N ILE 195.A O no hydrogen 2.933 N/A LYS 199.A NZ.A ASP 203.A OD2 no hydrogen 2.699 N/A THR 200.A N SER 196.A O no hydrogen 2.963 N/A THR 200.A OG1.A SER 196.A O no hydrogen 3.327 N/A THR 200.A OG1.B SER 196.A O no hydrogen 2.997 N/A THR 200.A OG1.B LEU 197.A O no hydrogen 3.406 N/A THR 201.A N LEU 197.A O no hydrogen 2.962 N/A THR 201.A OG1 LEU 197.A O no hydrogen 2.809 N/A PHE 202.A N ALA 198.A O no hydrogen 2.886 N/A ASP 203.A N LYS 199.A O no hydrogen 2.868 N/A GLU 204.A N THR 200.A O no hydrogen 2.900 N/A ALA 205.A N THR 201.A O no hydrogen 2.977 N/A MET 206.A N PHE 202.A O no hydrogen 2.844 N/A ALA 207.A N ASP 203.A O no hydrogen 3.218 N/A ASP 208.A N ALA 205.A O no hydrogen 2.944 N/A LEU 209.A N MET 206.A O no hydrogen 3.296 N/A HIS 210.A ND1 ALA 207.A O no hydrogen 3.166 N/A THR 211.A N ASP 208.A O no hydrogen 3.105 N/A THR 211.A OG1 ASP 208.A O no hydrogen 2.724 N/A LEU 212.A N LEU 209.A O no hydrogen 3.021 N/A SER 213.A OG ASP 215.A OD2.B no hydrogen 2.599 N/A SER 213.A OG SER 216.A OG.A no hydrogen 3.233 N/A SER 213.A OG SER 216.A OG.B no hydrogen 3.079 N/A SER 216.A N SER 213.A OG no hydrogen 3.139 N/A SER 216.A OG.A SER 213.A OG no hydrogen 3.233 N/A SER 216.A OG.A ASP 215.A OD1.B no hydrogen 3.085 N/A SER 216.A OG.B SER 213.A O no hydrogen 2.693 N/A SER 216.A OG.B SER 213.A OG no hydrogen 3.079 N/A TYR 217.A N SER 213.A O no hydrogen 2.762 N/A LYS 218.A N GLU 214.A O no hydrogen 3.023 N/A ASP 219.A N ASP 215.A O no hydrogen 3.067 N/A SER 220.A N SER 216.A O no hydrogen 2.887 N/A SER 220.A OG THR 169.A O no hydrogen 2.565 N/A SER 220.A OG SER 216.A O no hydrogen 3.246 N/A THR 221.A N TYR 217.A O no hydrogen 2.806 N/A THR 221.A OG1 TYR 217.A O no hydrogen 2.821 N/A THR 221.A OG1 LYS 218.A O no hydrogen 3.188 N/A LEU 222.A N LYS 218.A O no hydrogen 3.124 N/A MET 224.A N SER 220.A O no hydrogen 2.885 N/A GLN 225.A N THR 221.A O no hydrogen 2.915 N/A GLN 225.A NE2 ASP 229.A OD1 no hydrogen 2.889 N/A LEU 227.A N ILE 223.A O no hydrogen 3.154 N/A ARG 228.A N MET 224.A O no hydrogen 2.916 N/A ASP 229.A N GLN 225.A O no hydrogen 2.832 N/A ASN 230.A N LEU 226.A O no hydrogen 3.058 N/A LEU 231.A N LEU 227.A O no hydrogen 2.915 N/A THR 232.A N ARG 228.A O no hydrogen 2.825 N/A THR 232.A OG1.A ARG 228.A O no hydrogen 2.917 N/A THR 232.A OG1.B ARG 228.A O no hydrogen 3.213 N/A THR 232.A OG1.B ASP 229.A O no hydrogen 2.680 N/A LEU 233.A N ASP 229.A O no hydrogen 2.970 N/A TRP 234.A N ASN 230.A O no hydrogen 2.947 N/A THR 235.A OG1 LEU 231.A O no hydrogen 2.569 N/A