Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p6l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLU 6.A OE1 no hydrogen 2.895 N/A GLU 6.A N THR 3.A OG1 no hydrogen 3.049 N/A LYS 7.A N THR 3.A O no hydrogen 2.837 N/A ASN 8.A N LYS 4.A O no hydrogen 3.094 N/A ASN 8.A ND2 LYS 4.A O no hydrogen 2.832 N/A GLY 9.A N GLU 6.A O no hydrogen 2.970 N/A TRP 10.A N ALA 5.A O no hydrogen 2.871 N/A TRP 10.A NE1 PHE 224.A O no hydrogen 2.824 N/A ARG 11.A N GLY 226.A O no hydrogen 2.901 N/A ARG 11.A NH1 GLU 103.A OE1 no hydrogen 3.465 N/A ARG 11.A NH1 GLU 103.A OE2 no hydrogen 2.811 N/A ARG 11.A NH2 GLU 103.A OE1 no hydrogen 2.843 N/A GLY 13.A N PHE 228.A O no hydrogen 2.926 N/A GLN 14.A NE2 GLU 39.A OE2 no hydrogen 2.963 N/A GLN 14.A NE2 GLY 82.A O no hydrogen 2.835 N/A SER 15.A N GLU 39.A O no hydrogen 2.854 N/A SER 15.A OG HIS 44.A ND1 no hydrogen 2.792 N/A TYR 16.A N GLN 14.A OE1 no hydrogen 2.815 N/A SER 17.A N GLN 14.A O no hydrogen 2.989 N/A SER 17.A OG GLN 14.A O no hydrogen 2.959 N/A SER 17.A OG ILE 230.A O no hydrogen 3.086 N/A PHE 18.A N SER 15.A O no hydrogen 2.871 N/A HIS 19.A N TYR 16.A O no hydrogen 3.024 N/A HIS 19.A ND1 TYR 16.A O no hydrogen 2.875 N/A PHE 21.A N PHE 18.A O no hydrogen 3.008 N/A LEU 23.A N LYS 45.A O no hydrogen 2.710 N/A THR 24.A N LEU 46.A O no hydrogen 3.086 N/A THR 24.A OG1 LEU 46.A O no hydrogen 3.529 N/A ALA 26.A N PRO 22.A O no hydrogen 3.038 N/A LEU 27.A N LEU 23.A O no hydrogen 2.825 N/A ASP 28.A N THR 24.A O no hydrogen 3.249 N/A LYS 29.A N GLU 25.A O no hydrogen 2.944 N/A THR 30.A N ALA 26.A O no hydrogen 2.926 N/A THR 30.A OG1 ALA 26.A O no hydrogen 2.831 N/A GLN 31.A N LEU 27.A O no hydrogen 2.759 N/A GLU 32.A N ASP 28.A O no hydrogen 2.766 N/A LEU 33.A N LYS 29.A O no hydrogen 2.812 N/A GLY 34.A N GLN 31.A O no hydrogen 2.839 N/A LEU 35.A N THR 30.A O no hydrogen 3.160 N/A LYS 36.A NZ GLU 6.A OE2 no hydrogen 2.898 N/A ILE 38.A N LYS 77.A O no hydrogen 3.035 N/A ILE 40.A N GLY 80.A O no hydrogen 2.945 N/A TYR 41.A N SER 15.A OG no hydrogen 2.889 N/A GLY 43.A N PHE 55.A O no hydrogen 2.873 N/A HIS 44.A N TYR 41.A O no hydrogen 3.129 N/A HIS 44.A ND1 SER 15.A OG no hydrogen 2.792 N/A HIS 44.A NE2 PHE 21.A O no hydrogen 2.817 N/A LEU 46.A N LYS 53.A O no hydrogen 2.882 N/A GLY 47.A N GLY 51.A O no hydrogen 2.925 N/A LYS 49.A NZ GLU 66.A OE1 no hydrogen 3.375 N/A LYS 49.A NZ GLU 66.A OE2 no hydrogen 2.925 N/A TRP 50.A N GLY 47.A O no hydrogen 3.042 N/A TRP 50.A NE1 GLU 66.A OE1 no hydrogen 2.735 N/A GLY 51.A N GLY 48.A O no hydrogen 3.386 N/A LYS 53.A N TRP 50.A O no hydrogen 3.118 N/A LYS 53.A NZ ASP 60.A OD1 no hydrogen 2.725 N/A PHE 55.A N HIS 44.A O no hydrogen 2.898 N/A ASN 58.A N ASP 56.A OD1 no hydrogen 3.033 N/A LEU 59.A N ASP 56.A O no hydrogen 2.896 N/A GLN 62.A NE2 GLU 66.A OE2 no hydrogen 2.860 N/A THR 63.A N ASP 60.A OD2 no hydrogen 3.066 N/A THR 63.A OG1 ASP 60.A OD1 no hydrogen 2.666 N/A THR 63.A OG1 ASP 60.A OD2 no hydrogen 3.024 N/A GLN 64.A N ASP 60.A O no hydrogen 3.007 N/A GLN 64.A NE2 LEU 59.A O no hydrogen 2.892 N/A LYS 65.A N ALA 61.A O no hydrogen 3.168 N/A GLU 66.A N GLN 62.A O no hydrogen 2.907 N/A ILE 67.A N THR 63.A O no hydrogen 2.810 N/A LYS 68.A N GLN 64.A O no hydrogen 3.054 N/A LYS 68.A NZ ALA 100.A O no hydrogen 2.550 N/A GLU 69.A N LYS 65.A O no hydrogen 2.862 N/A LEU 70.A N GLU 66.A O no hydrogen 2.930 N/A ALA 71.A N ILE 67.A O no hydrogen 2.966 N/A ALA 72.A N LYS 68.A O no hydrogen 2.954 N/A SER 73.A N GLU 69.A O no hydrogen 2.765 N/A SER 73.A OG LEU 70.A O no hydrogen 2.668 N/A LYS 74.A N LEU 70.A O no hydrogen 3.203 N/A LYS 74.A N ALA 71.A O no hydrogen 3.012 N/A LYS 74.A NZ ASP 28.A OD1 no hydrogen 2.623 N/A GLY 75.A N ALA 72.A O no hydrogen 3.090 N/A ILE 76.A N ALA 71.A O no hydrogen 2.870 N/A LYS 77.A N LYS 36.A O no hydrogen 2.875 N/A LYS 77.A NZ GLU 103.A OE2 no hydrogen 2.758 N/A VAL 79.A N ILE 38.A O no hydrogen 2.858 N/A THR 81.A N PHE 104.A O no hydrogen 3.376 N/A THR 81.A OG1 ILE 40.A O no hydrogen 2.759 N/A GLY 82.A N ILE 40.A O no hydrogen 3.061 N/A TYR 84.A N THR 106.A O no hydrogen 2.823 N/A SER 89.A OG ASP 113.A OD1 no hydrogen 2.732 N/A SER 89.A OG ASP 113.A OD2 no hydrogen 2.754 N/A ASP 91.A N LYS 88.A O no hydrogen 3.131 N/A TRP 92.A N SER 89.A O no hydrogen 3.027 N/A LYS 96.A N GLU 93.A O no hydrogen 3.023 N/A PHE 97.A N LYS 94.A O no hydrogen 2.987 N/A LYS 99.A N PHE 95.A O no hydrogen 2.987 N/A LYS 99.A NZ.A TYR 124.A O no hydrogen 3.078 N/A ALA 100.A N LYS 96.A O no hydrogen 2.984 N/A LEU 102.A N ALA 98.A O no hydrogen 2.916 N/A GLU 103.A N VAL 79.A O no hydrogen 2.826 N/A PHE 104.A N VAL 79.A O no hydrogen 3.286 N/A ILE 105.A N LYS 127.A O no hydrogen 2.939 N/A THR 106.A N THR 81.A O no hydrogen 2.927 N/A THR 106.A OG1 GLU 39.A OE2 no hydrogen 2.776 N/A THR 106.A OG1 THR 81.A O no hydrogen 3.534 N/A CYS 107.A N SER 129.A O no hydrogen 2.955 N/A CYS 107.A SG ILE 105.A O no hydrogen 3.846 N/A GLU 108.A N TYR 84.A O no hydrogen 3.063 N/A ASP 113.A N ALA 110.A O no hydrogen 2.869 N/A TRP 114.A NE1 TYR 139.A OH no hydrogen 3.031 N/A VAL 117.A N ASP 113.A O no hydrogen 2.999 N/A GLU 118.A N TRP 114.A O no hydrogen 2.870 N/A LYS 119.A N ASP 115.A O no hydrogen 3.039 N/A LEU 120.A N LEU 116.A O no hydrogen 3.050 N/A SER 121.A N VAL 117.A O no hydrogen 2.951 N/A SER 121.A OG ILE 126.A O no hydrogen 2.741 N/A SER 121.A OG SER 155.A OG.A no hydrogen 2.620 N/A LYS 122.A N GLU 118.A O no hydrogen 3.013 N/A GLN 123.A N LYS 119.A O no hydrogen 2.906 N/A TYR 124.A N LEU 120.A O no hydrogen 2.753 N/A TYR 124.A OH GLU 93.A OE2 no hydrogen 3.337 N/A ILE 126.A N SER 121.A O no hydrogen 3.377 N/A LYS 127.A N GLU 103.A O no hydrogen 2.985 N/A ILE 128.A N SER 155.A O no hydrogen 2.868 N/A SER 129.A N ILE 105.A O no hydrogen 3.064 N/A SER 129.A OG SER 185.A OG no hydrogen 2.706 N/A VAL 130.A N GLY 157.A O no hydrogen 2.773 N/A HIS 131.A N CYS 107.A O no hydrogen 2.851 N/A HIS 131.A ND1 GLU 108.A OE2 no hydrogen 3.077 N/A HIS 131.A NE2 ASP 161.A OD2 no hydrogen 3.116 N/A ASN 132.A ND2 ASP 161.A O no hydrogen 2.917 N/A HIS 133.A ND1 GLU 108.A OE2 no hydrogen 2.615 N/A GLN 135.A N GLU 168.A OE2 no hydrogen 2.788 N/A GLN 135.A NE2 GLU 168.A OE1 no hydrogen 2.834 N/A SER 137.A OG HIS 133.A O no hydrogen 2.716 N/A SER 137.A OG PRO 134.A O no hydrogen 3.346 N/A TYR 139.A OH PRO 109.A O no hydrogen 2.536 N/A LYS 141.A NZ GLU 143.A OE2 no hydrogen 2.889 N/A ASN 144.A N LYS 141.A O no hydrogen 3.121 N/A ASN 144.A ND2 ASP 138.A O no hydrogen 3.387 N/A LEU 146.A N PRO 142.A O no hydrogen 2.861 N/A LYS 147.A N GLU 143.A O no hydrogen 2.943 N/A ALA 148.A N ASN 144.A O no hydrogen 3.313 N/A ILE 149.A N LEU 145.A O no hydrogen 2.944 N/A SER 150.A N LEU 146.A O no hydrogen 2.925 N/A ARG 152.A N ILE 149.A O no hydrogen 2.955 N/A ARG 152.A NE ALA 148.A O no hydrogen 3.069 N/A ARG 152.A NH1 ASP 115.A OD1 no hydrogen 2.840 N/A ARG 152.A NH1 GLU 118.A OE1 no hydrogen 2.993 N/A ARG 152.A NH2 ASP 115.A OD1 no hydrogen 3.527 N/A SER 153.A N GLU 118.A OE2 no hydrogen 2.813 N/A SER 153.A OG SER 155.A OG.A no hydrogen 2.662 N/A SER 155.A N SER 153.A OG no hydrogen 3.179 N/A SER 155.A OG.A SER 121.A OG no hydrogen 2.620 N/A SER 155.A OG.A SER 153.A OG no hydrogen 2.662 N/A LEU 156.A N SER 153.A O no hydrogen 3.058 N/A GLY 157.A N ILE 128.A O no hydrogen 2.812 N/A SER 158.A N ARG 182.A O no hydrogen 2.625 N/A SER 158.A OG SER 160.A OG no hydrogen 2.741 N/A CYS 159.A N VAL 130.A O no hydrogen 2.882 N/A SER 160.A N SER 185.A O no hydrogen 2.892 N/A SER 160.A OG SER 158.A OG no hydrogen 2.741 N/A ASP 161.A N ASN 132.A OD1 no hydrogen 2.897 N/A HIS 164.A N ASP 161.A OD1 no hydrogen 2.888 N/A TRP 165.A N ASP 161.A O no hydrogen 3.293 N/A ARG 166.A N VAL 162.A O no hydrogen 3.390 N/A ARG 166.A NH1 GLN 172.A OE1 no hydrogen 2.930 N/A ARG 166.A NH1 ILE 210.A O no hydrogen 3.431 N/A ARG 167.A N GLY 163.A O no hydrogen 2.896 N/A ARG 167.A NE GLN 201.A O no hydrogen 3.351 N/A ARG 167.A NH2 GLN 201.A O no hydrogen 3.006 N/A ARG 167.A NH2 ASP 203.A OD1 no hydrogen 2.827 N/A GLU 168.A N HIS 164.A O no hydrogen 3.244 N/A GLU 168.A N TRP 165.A O no hydrogen 3.168 N/A GLY 169.A N ARG 166.A O no hydrogen 2.847 N/A LEU 170.A N TRP 165.A O no hydrogen 3.075 N/A GLN 172.A N GLN 172.A OE1 no hydrogen 2.804 N/A GLN 172.A NE2 LEU 211.A O no hydrogen 2.722 N/A ASP 174.A N ASN 171.A OD1 no hydrogen 3.146 N/A CYS 175.A N ASN 171.A O no hydrogen 2.959 N/A CYS 175.A SG ASN 171.A O no hydrogen 3.402 N/A LEU 176.A N GLN 172.A O no hydrogen 3.176 N/A LYS 177.A N ILE 173.A O no hydrogen 3.062 N/A GLN 178.A N ASP 174.A O no hydrogen 2.947 N/A GLN 178.A NE2 ASP 174.A O no hydrogen 3.654 N/A GLN 178.A NE2 ASP 174.A OD2 no hydrogen 2.661 N/A LEU 179.A N CYS 175.A O no hydrogen 3.151 N/A LEU 179.A N LEU 176.A O no hydrogen 3.071 N/A LYS 180.A N LYS 177.A O no hydrogen 3.110 N/A LYS 180.A NZ LYS 177.A O no hydrogen 2.815 N/A ARG 182.A N LEU 179.A O no hydrogen 2.833 N/A ARG 182.A NH1 ARG 152.A O no hydrogen 3.565 N/A ARG 182.A NH1 SER 153.A O no hydrogen 2.778 N/A ARG 182.A NH1 LEU 156.A O no hydrogen 2.801 N/A ARG 182.A NH2 ARG 152.A O no hydrogen 2.781 N/A ILE 184.A N SER 158.A O no hydrogen 2.973 N/A SER 185.A N SER 158.A O no hydrogen 3.308 N/A SER 185.A OG SER 129.A OG no hydrogen 2.706 N/A LEU 186.A N VAL 227.A O no hydrogen 2.973 N/A HIS 187.A N SER 160.A O no hydrogen 2.925 N/A HIS 187.A NE2 GLU 39.A OE2 no hydrogen 3.061 N/A PHE 188.A N SER 229.A O no hydrogen 2.961 N/A LYS 189.A NZ ASP 161.A OD1 no hydrogen 3.263 N/A LYS 189.A NZ ASP 161.A OD2 no hydrogen 2.641 N/A LYS 189.A NZ GLU 233.A OE1 no hydrogen 3.490 N/A ILE 191.A N ASP 190.A OD1 no hydrogen 2.864 N/A ALA 192.A N HIS 202.A O no hydrogen 2.918 N/A LYS 194.A NZ LYS 195.A O no hydrogen 2.695 N/A LYS 194.A NZ GLU 198.A O no hydrogen 2.933 N/A GLU 198.A N LYS 195.A O no hydrogen 3.108 N/A GLN 201.A NE2 ALA 192.A O no hydrogen 2.727 N/A HIS 202.A ND1 ASP 203.A O no hydrogen 2.846 N/A VAL 204.A N ASP 190.A O no hydrogen 2.893 N/A GLY 207.A N ASP 190.A OD2 no hydrogen 3.168 N/A THR 208.A N ILE 205.A O no hydrogen 2.970 N/A THR 208.A OG1 ILE 205.A O no hydrogen 2.600 N/A GLY 209.A N ASP 190.A OD2 no hydrogen 2.827 N/A ILE 210.A N ILE 191.A O no hydrogen 2.946 N/A LEU 211.A N ASP 190.A OD1 no hydrogen 2.918 N/A LYS 214.A NZ GLU 256.A OE1 no hydrogen 3.007 N/A GLY 215.A N ASP 212.A OD1 no hydrogen 3.147 N/A LYS 217.A N LYS 214.A O no hydrogen 2.860 N/A GLU 218.A N GLY 215.A O no hydrogen 2.984 N/A LYS 220.A N.A LEU 216.A O no hydrogen 2.817 N/A LYS 220.A N.B LEU 216.A O no hydrogen 2.819 N/A LYS 220.A NZ.A ILE 257.A O no hydrogen 2.646 N/A LYS 220.A NZ.B ILE 257.A O no hydrogen 2.972 N/A SER 221.A N LYS 217.A O no hydrogen 3.005 N/A SER 221.A OG.A GLU 218.A O no hydrogen 2.760 N/A SER 221.A OG.A GLU 218.A OE1 no hydrogen 3.011 N/A GLN 222.A N GLU 218.A O no hydrogen 3.032 N/A GLN 222.A NE2 LEU 176.A O no hydrogen 2.584 N/A GLN 222.A NE2 GLU 218.A OE2 no hydrogen 2.935 N/A ASN 223.A N LYS 220.A O.A no hydrogen 2.839 N/A ASN 223.A N LYS 220.A O.B no hydrogen 2.845 N/A PHE 224.A N LEU 219.A O no hydrogen 3.056 N/A GLY 226.A N GLY 9.A O no hydrogen 2.872 N/A PHE 228.A N ARG 11.A O no hydrogen 2.903 N/A SER 229.A N LEU 186.A O no hydrogen 2.916 N/A SER 229.A OG GLU 39.A OE1 no hydrogen 2.828 N/A ILE 230.A N GLY 13.A O no hydrogen 2.834 N/A TYR 232.A N SER 17.A OG no hydrogen 3.042 N/A TYR 232.A OH ASP 242.A OD2 no hydrogen 2.830 N/A GLU 233.A N ASP 203.A OD2 no hydrogen 2.827 N/A ASN 235.A ND2.A ASP 242.A OD2 no hydrogen 2.665 N/A ASN 238.A N ASN 235.A O no hydrogen 2.955 N/A ILE 243.A N SER 239.A O no hydrogen 2.939 N/A LYS 244.A N VAL 240.A O no hydrogen 2.835 N/A LYS 244.A NZ.A GLN 248.A OE1 no hydrogen 3.051 N/A GLU 245.A N PRO 241.A O no hydrogen 3.288 N/A CYS 246.A N ASP 242.A O no hydrogen 3.038 N/A CYS 246.A SG ASP 242.A O no hydrogen 3.603 N/A ILE 247.A N ILE 243.A O no hydrogen 2.927 N/A GLN 248.A N LYS 244.A O no hydrogen 3.000 N/A TYR 249.A N GLU 245.A O no hydrogen 3.178 N/A PHE 250.A N CYS 246.A O no hydrogen 3.054 N/A ASN 251.A N ILE 247.A O no hydrogen 3.067 N/A LYS 252.A N GLN 248.A O no hydrogen 3.016 N/A LYS 252.A NZ GLU 256.A OE2 no hydrogen 3.001 N/A THR 253.A N TYR 249.A O no hydrogen 2.857 N/A THR 253.A OG1 TYR 249.A O no hydrogen 2.715 N/A ALA 254.A N PHE 250.A O no hydrogen 2.857 N/A ASN 255.A N ASN 251.A O no hydrogen 2.921 N/A GLU 256.A N LYS 252.A O no hydrogen 3.178 N/A ILE 257.A N THR 253.A O no hydrogen 3.218 N/A