Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lmp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLU 1.A OE2 no hydrogen 2.871 N/A LEU 5.A N GLU 1.A O no hydrogen 3.393 N/A ARG 6.A N SER 2.A O no hydrogen 2.872 N/A ARG 6.A NH1 GLN 207.A OE1 no hydrogen 2.783 N/A ARG 6.A NH2 GLN 207.A OE1 no hydrogen 3.009 N/A ALA 7.A N ALA 3.A O no hydrogen 2.979 N/A LEU 8.A N ASP 4.A O no hydrogen 2.872 N/A ALA 9.A N LEU 5.A O no hydrogen 2.954 N/A LYS 10.A N ARG 6.A O no hydrogen 2.926 N/A LYS 10.A NZ ASP 14.A OD1 no hydrogen 2.863 N/A HIS 11.A N ALA 7.A O no hydrogen 2.880 N/A HIS 11.A NE2 SER 89.A O no hydrogen 2.829 N/A LEU 12.A N LEU 8.A O no hydrogen 2.977 N/A TYR 13.A N ALA 9.A O no hydrogen 2.987 N/A ASP 14.A N LYS 10.A O no hydrogen 2.870 N/A SER 15.A N HIS 11.A O no hydrogen 2.957 N/A SER 15.A OG HIS 11.A O no hydrogen 2.832 N/A TYR 16.A N LEU 12.A O no hydrogen 2.785 N/A TYR 16.A OH ASP 168.A OD1 no hydrogen 2.628 N/A ILE 17.A N TYR 13.A O no hydrogen 2.954 N/A LYS 18.A N ASP 14.A O no hydrogen 3.077 N/A SER 19.A N SER 15.A O no hydrogen 2.837 N/A SER 19.A OG SER 15.A O no hydrogen 3.081 N/A PHE 20.A N TYR 16.A O no hydrogen 2.944 N/A LYS 24.A N ASP 168.A OD1 no hydrogen 2.954 N/A LYS 24.A NZ LEU 166.A O no hydrogen 2.883 N/A ALA 25.A N ASP 168.A OD2 no hydrogen 2.999 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.052 N/A ALA 27.A N THR 23.A O no hydrogen 2.826 N/A ARG 28.A N LYS 24.A O no hydrogen 2.772 N/A ARG 28.A NH1 SER 119.A O no hydrogen 3.083 N/A ARG 28.A NH1 MET 121.A O no hydrogen 2.815 N/A ARG 28.A NH2 MET 121.A O no hydrogen 3.386 N/A ALA 29.A N ALA 25.A O no hydrogen 3.017 N/A ILE 30.A N LYS 26.A O no hydrogen 3.234 N/A ILE 30.A N ALA 27.A O no hydrogen 3.026 N/A LEU 31.A N ALA 27.A O no hydrogen 2.830 N/A THR 32.A N ARG 28.A O no hydrogen 3.097 N/A THR 32.A OG1 ARG 28.A O no hydrogen 2.729 N/A THR 32.A OG1 ALA 29.A O no hydrogen 3.461 N/A GLY 33.A N ALA 29.A O no hydrogen 3.100 N/A LYS 34.A N ALA 29.A O no hydrogen 2.817 N/A PHE 41.A N GLN 132.A O no hydrogen 2.920 N/A ILE 43.A N PHE 134.A O no hydrogen 2.784 N/A TYR 44.A N SER 48.A OG no hydrogen 2.744 N/A ASP 45.A N SER 48.A OG no hydrogen 2.761 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.652 N/A SER 48.A OG ASP 45.A O no hydrogen 2.853 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.573 N/A LEU 49.A N ASP 45.A O no hydrogen 3.013 N/A MET 50.A N MET 46.A O no hydrogen 3.252 N/A GLY 52.A N SER 48.A O no hydrogen 3.147 N/A LYS 55.A N GLY 52.A O no hydrogen 2.945 N/A ILE 56.A N GLY 52.A O no hydrogen 3.198 N/A LYS 57.A NZ GLU 53.A OE1 no hydrogen 3.509 N/A GLN 60.A NE2 GLU 53.A OE1 no hydrogen 3.544 N/A LYS 62.A NZ ASP 249.A OD1 no hydrogen 3.124 N/A ARG 67.A N GLU 63.A O no hydrogen 2.998 N/A ARG 67.A NH1 LYS 62.A O no hydrogen 2.628 N/A ARG 67.A NH2 GLU 53.A OE2 no hydrogen 3.060 N/A ILE 68.A N VAL 64.A O no hydrogen 2.869 N/A PHE 69.A N ALA 65.A O no hydrogen 3.100 N/A GLN 70.A N ILE 66.A O no hydrogen 2.944 N/A GLY 71.A N ARG 67.A O no hydrogen 3.050 N/A CYS 72.A N ILE 68.A O no hydrogen 3.003 N/A CYS 72.A SG ILE 68.A O no hydrogen 3.492 N/A GLN 73.A N PHE 69.A O no hydrogen 2.942 N/A GLN 73.A NE2 SER 251.A O no hydrogen 3.665 N/A PHE 74.A N GLN 70.A O no hydrogen 2.951 N/A ARG 75.A N GLY 71.A O no hydrogen 3.058 N/A ARG 75.A NH1 GLU 78.A OE1 no hydrogen 2.717 N/A ARG 75.A NH1 GLU 82.A OE2 no hydrogen 3.004 N/A ARG 75.A NH2 GLU 82.A OE1 no hydrogen 3.126 N/A SER 76.A N CYS 72.A O no hydrogen 3.008 N/A SER 76.A OG CYS 72.A O no hydrogen 3.000 N/A VAL 77.A N GLN 73.A O no hydrogen 2.989 N/A GLU 78.A N PHE 74.A O no hydrogen 3.095 N/A ALA 79.A N ARG 75.A O no hydrogen 2.799 N/A VAL 80.A N SER 76.A O no hydrogen 2.842 N/A GLN 81.A N VAL 77.A O no hydrogen 3.230 N/A GLN 81.A NE2 VAL 77.A O no hydrogen 3.405 N/A GLU 82.A N GLU 78.A O no hydrogen 3.071 N/A ILE 83.A N ALA 79.A O no hydrogen 2.835 N/A THR 84.A N VAL 80.A O no hydrogen 2.905 N/A THR 84.A OG1 VAL 80.A O no hydrogen 2.709 N/A GLU 85.A N GLN 81.A O no hydrogen 3.061 N/A TYR 86.A N GLU 82.A O no hydrogen 3.002 N/A TYR 86.A OH ALA 172.A O no hydrogen 2.573 N/A ALA 87.A N ILE 83.A O no hydrogen 2.789 N/A LYS 88.A N THR 84.A O no hydrogen 3.131 N/A LYS 88.A NZ GLU 85.A OE2 no hydrogen 3.167 N/A SER 89.A N TYR 86.A O no hydrogen 2.843 N/A SER 89.A OG TYR 86.A O no hydrogen 2.519 N/A ILE 90.A N ALA 87.A O no hydrogen 2.994 N/A PHE 93.A N ILE 90.A O no hydrogen 2.945 N/A ASN 95.A N GLY 92.A O no hydrogen 3.248 N/A LEU 96.A N PHE 93.A O no hydrogen 2.991 N/A ASN 99.A N ASP 97.A OD1 no hydrogen 2.930 N/A ASN 99.A ND2 ASP 97.A OD1 no hydrogen 2.860 N/A ASP 100.A N ASP 97.A O no hydrogen 2.849 N/A GLN 101.A N ASP 97.A O no hydrogen 3.084 N/A GLN 101.A NE2 VAL 94.A O no hydrogen 3.130 N/A GLN 101.A NE2 LEU 96.A O no hydrogen 2.862 N/A VAL 102.A N LEU 98.A O no hydrogen 3.109 N/A THR 103.A N ASN 99.A O no hydrogen 3.054 N/A THR 103.A OG1 ASN 99.A O no hydrogen 3.111 N/A LEU 104.A N ASP 100.A O no hydrogen 2.867 N/A LEU 105.A N GLN 101.A O no hydrogen 3.116 N/A LYS 106.A N VAL 102.A O no hydrogen 2.835 N/A LYS 106.A NZ ILE 259.A O no hydrogen 2.748 N/A LYS 106.A NZ LYS 261.A O no hydrogen 2.582 N/A TYR 107.A N THR 103.A O no hydrogen 3.167 N/A GLY 108.A N LEU 105.A O no hydrogen 3.148 N/A VAL 109.A N LEU 105.A O no hydrogen 2.931 N/A ILE 112.A N GLY 108.A O no hydrogen 3.091 N/A ILE 113.A N VAL 109.A O no hydrogen 2.760 N/A TYR 114.A N HIS 110.A O no hydrogen 3.009 N/A THR 115.A N GLU 111.A O no hydrogen 3.166 N/A THR 115.A OG1 GLU 111.A O no hydrogen 2.848 N/A MET 116.A N ILE 112.A O no hydrogen 2.846 N/A LEU 117.A N ILE 113.A O no hydrogen 2.867 N/A ALA 118.A N TYR 114.A O no hydrogen 3.438 N/A SER 119.A N MET 116.A O no hydrogen 3.068 N/A LEU 120.A N LEU 117.A O no hydrogen 2.827 N/A MET 121.A N ALA 118.A O no hydrogen 3.022 N/A ASN 122.A N GLY 125.A O no hydrogen 3.097 N/A LYS 123.A NZ ASP 124.A OD1 no hydrogen 2.821 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 2.693 N/A GLY 125.A N ASN 122.A O no hydrogen 3.427 N/A GLY 125.A N ASN 122.A OD1 no hydrogen 2.996 N/A VAL 126.A N MET 135.A O no hydrogen 2.978 N/A LEU 127.A N LEU 120.A O no hydrogen 2.906 N/A ILE 128.A N GLY 133.A O no hydrogen 2.902 N/A SER 129.A OG ILE 56.A O no hydrogen 2.654 N/A GLY 131.A N ILE 128.A O no hydrogen 3.052 N/A GLN 132.A N SER 129.A O no hydrogen 3.033 N/A GLY 133.A N ILE 128.A O no hydrogen 2.954 N/A PHE 134.A N PHE 41.A O no hydrogen 2.862 N/A MET 135.A N VAL 126.A O no hydrogen 3.044 N/A THR 136.A N ILE 43.A O no hydrogen 2.933 N/A THR 136.A OG1 ILE 43.A O no hydrogen 3.556 N/A ARG 137.A N ASP 124.A O no hydrogen 2.712 N/A ARG 137.A NE GLU 152.A OE1 no hydrogen 3.220 N/A ARG 137.A NE GLU 152.A OE2 no hydrogen 3.284 N/A ARG 137.A NH2 GLU 152.A OE2 no hydrogen 2.794 N/A PHE 139.A N THR 136.A OG1 no hydrogen 3.264 N/A LEU 140.A N THR 136.A O no hydrogen 3.214 N/A LYS 141.A N ARG 137.A O no hydrogen 2.871 N/A SER 142.A N GLU 138.A O no hydrogen 3.067 N/A SER 142.A N PHE 139.A O no hydrogen 3.165 N/A SER 142.A OG GLU 138.A O no hydrogen 3.401 N/A SER 142.A OG PHE 139.A O no hydrogen 2.557 N/A LEU 143.A N LEU 140.A O no hydrogen 3.245 N/A ARG 144.A NE GLU 63.A OE1 no hydrogen 2.904 N/A ARG 144.A NE GLU 63.A OE2 no hydrogen 3.382 N/A ARG 144.A NH1 LYS 145.A O no hydrogen 2.792 N/A ARG 144.A NH1 GLU 247.A OE2 no hydrogen 3.040 N/A ARG 144.A NH2 GLU 63.A OE2 no hydrogen 3.205 N/A ARG 144.A NH2 GLU 247.A OE1 no hydrogen 2.778 N/A ARG 144.A NH2 GLU 247.A OE2 no hydrogen 3.442 N/A PHE 147.A N ARG 144.A O no hydrogen 2.849 N/A PHE 150.A N PHE 147.A O no hydrogen 3.023 N/A MET 151.A N PHE 147.A O no hydrogen 3.271 N/A MET 151.A N GLY 148.A O no hydrogen 3.296 N/A GLU 152.A N GLY 148.A O no hydrogen 3.212 N/A LYS 154.A N MET 151.A O no hydrogen 3.121 N/A LYS 154.A NZ TYR 114.A OH no hydrogen 2.944 N/A LYS 154.A NZ PHE 150.A O no hydrogen 2.821 N/A LYS 154.A NZ HIS 236.A ND1 no hydrogen 2.817 N/A GLU 156.A N GLU 152.A O no hydrogen 2.957 N/A PHE 157.A N PRO 153.A O no hydrogen 3.133 N/A ALA 158.A N LYS 154.A O no hydrogen 3.082 N/A VAL 159.A N PHE 155.A O no hydrogen 2.931 N/A LYS 160.A N GLU 156.A O no hydrogen 3.478 N/A PHE 161.A N PHE 157.A O no hydrogen 2.734 N/A ASN 162.A N ALA 158.A O no hydrogen 2.777 N/A ASN 162.A ND2 ALA 118.A O no hydrogen 3.021 N/A LEU 164.A N PHE 161.A O no hydrogen 2.992 N/A GLU 165.A N ASN 162.A O no hydrogen 2.971 N/A ASP 167.A N ASP 170.A OD2 no hydrogen 2.846 N/A ASP 170.A N ASP 167.A OD1 no hydrogen 2.751 N/A LEU 171.A N ASP 167.A O no hydrogen 2.896 N/A ALA 172.A N ASP 168.A O no hydrogen 2.927 N/A ILE 173.A N ASP 170.A O no hydrogen 3.235 N/A PHE 174.A N ASP 170.A O no hydrogen 3.060 N/A ILE 175.A N LEU 171.A O no hydrogen 2.847 N/A ALA 176.A N ALA 172.A O no hydrogen 3.230 N/A VAL 177.A N ILE 173.A O no hydrogen 2.914 N/A ILE 178.A N PHE 174.A O no hydrogen 3.206 N/A ILE 179.A N ILE 175.A O no hydrogen 3.060 N/A LEU 180.A N ALA 176.A O no hydrogen 3.100 N/A SER 181.A OG ILE 178.A O no hydrogen 2.651 N/A ARG 184.A NH1 GLU 111.A OE2 no hydrogen 2.907 N/A ARG 184.A NH2 GLU 111.A OE1 no hydrogen 2.946 N/A ARG 184.A NH2 ILE 178.A O no hydrogen 3.334 N/A LEU 188.A N ASP 100.A OD1 no hydrogen 2.762 N/A LEU 188.A N ASP 100.A OD2 no hydrogen 3.291 N/A ASN 189.A N ASP 100.A OD2 no hydrogen 2.888 N/A LYS 191.A NZ ASP 195.A OD1 no hydrogen 3.504 N/A GLU 194.A N VAL 190.A O no hydrogen 2.962 N/A ASP 195.A N LYS 191.A O no hydrogen 2.838 N/A ILE 196.A N PRO 192.A O no hydrogen 3.199 N/A GLN 197.A N ILE 193.A O no hydrogen 2.885 N/A GLN 197.A NE2 VAL 177.A O no hydrogen 2.964 N/A ASP 198.A N GLU 194.A O no hydrogen 2.832 N/A ASN 199.A N ASP 195.A O no hydrogen 3.377 N/A LEU 200.A N ILE 196.A O no hydrogen 3.005 N/A LEU 201.A N GLN 197.A O no hydrogen 2.710 N/A GLN 202.A N ASP 198.A O no hydrogen 3.158 N/A ALA 203.A N ASN 199.A O no hydrogen 3.006 N/A LEU 204.A N LEU 200.A O no hydrogen 2.877 N/A GLU 205.A N LEU 201.A O no hydrogen 2.903 N/A LEU 206.A N GLN 202.A O no hydrogen 3.036 N/A GLN 207.A N ALA 203.A O no hydrogen 2.937 N/A GLN 207.A NE2 ASP 170.A OD1 no hydrogen 3.017 N/A LEU 208.A N LEU 204.A O no hydrogen 2.951 N/A LYS 209.A N GLU 205.A O no hydrogen 2.990 N/A LEU 210.A N LEU 206.A O no hydrogen 3.023 N/A ASN 211.A N GLN 207.A O no hydrogen 2.796 N/A ASN 211.A ND2 ASP 167.A OD2 no hydrogen 2.701 N/A ASN 211.A ND2 ASP 170.A OD1 no hydrogen 2.933 N/A ASN 211.A ND2 ASP 170.A OD2 no hydrogen 3.299 N/A HIS 212.A N LEU 208.A O no hydrogen 2.872 N/A HIS 212.A NE2 ASP 170.A OD2 no hydrogen 2.620 N/A SER 215.A N HIS 212.A O no hydrogen 3.064 N/A GLN 217.A N GLN 217.A OE1 no hydrogen 2.579 N/A LEU 218.A N SER 215.A O no hydrogen 3.268 N/A LYS 221.A N GLN 217.A O no hydrogen 3.019 N/A LEU 222.A N LEU 218.A O no hydrogen 2.923 N/A LEU 223.A N PHE 219.A O no hydrogen 3.072 N/A GLN 224.A N ALA 220.A O no hydrogen 3.254 N/A LYS 225.A N LYS 221.A O no hydrogen 2.985 N/A MET 226.A N LEU 222.A O no hydrogen 3.053 N/A THR 227.A N LEU 223.A O no hydrogen 3.330 N/A THR 227.A OG1 LEU 223.A O no hydrogen 3.540 N/A ASP 228.A N GLN 224.A O no hydrogen 2.771 N/A LEU 229.A N LYS 225.A O no hydrogen 2.891 N/A ARG 230.A N THR 227.A O no hydrogen 3.259 N/A ARG 230.A NH1 ASP 183.A OD2 no hydrogen 2.710 N/A ARG 230.A NH2 ASP 183.A OD1 no hydrogen 2.632 N/A ARG 230.A NH2 ASP 183.A OD2 no hydrogen 3.178 N/A ILE 232.A N ASP 228.A O no hydrogen 2.906 N/A VAL 233.A N LEU 229.A O no hydrogen 2.853 N/A THR 234.A N ARG 230.A O no hydrogen 2.989 N/A THR 234.A OG1 ARG 230.A O no hydrogen 2.803 N/A GLU 235.A N GLN 231.A O no hydrogen 3.166 N/A HIS 236.A N ILE 232.A O no hydrogen 3.097 N/A HIS 236.A NE2 TYR 260.A OH no hydrogen 2.928 N/A VAL 237.A N VAL 233.A O no hydrogen 2.802 N/A GLN 238.A N THR 234.A O no hydrogen 3.021 N/A LEU 239.A N GLU 235.A O no hydrogen 2.922 N/A LEU 240.A N HIS 236.A O no hydrogen 3.008 N/A GLN 241.A N VAL 237.A O no hydrogen 2.760 N/A GLN 241.A NE2 VAL 237.A O no hydrogen 3.517 N/A VAL 242.A N GLN 238.A O no hydrogen 2.932 N/A ILE 243.A N LEU 239.A O no hydrogen 3.142 N/A LYS 244.A N LEU 240.A O no hydrogen 3.172 N/A THR 246.A N ILE 243.A O no hydrogen 3.209 N/A THR 246.A OG1 VAL 242.A O no hydrogen 2.862 N/A GLU 247.A N ILE 243.A O no hydrogen 2.920 N/A SER 251.A OG GLN 70.A OE1 no hydrogen 3.158 N/A SER 251.A OG SER 251.A O no hydrogen 2.662 N/A LEU 255.A N HIS 253.A ND1 no hydrogen 3.066 N/A GLN 257.A N HIS 253.A O no hydrogen 2.933 N/A GLU 258.A N PRO 254.A O no hydrogen 2.921 N/A ILE 259.A N LEU 255.A O no hydrogen 3.097 N/A TYR 260.A N LEU 256.A O no hydrogen 2.850 N/A TYR 260.A OH HIS 110.A NE2 no hydrogen 2.848 N/A TYR 260.A OH HIS 236.A NE2 no hydrogen 2.928 N/A LYS 261.A N GLN 257.A O no hydrogen 2.923 N/A LEU 263.A N TYR 260.A O no hydrogen 3.100 N/A