Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qcd_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N TYR 253.A OH no hydrogen 2.950 N/A GLY 7.A N GLN 27.A OE1 no hydrogen 2.592 N/A ALA 8.A N SER 5.A OG no hydrogen 3.038 N/A ARG 9.A N SER 5.A O no hydrogen 3.047 N/A ARG 9.A NE PRO 189.A O no hydrogen 2.751 N/A ARG 9.A NH1 ASP 224.A OD1 no hydrogen 2.975 N/A ARG 9.A NH2 PRO 189.A O no hydrogen 3.058 N/A ARG 9.A NH2 ASP 224.A OD2 no hydrogen 3.124 N/A ALA 10.A N PHE 6.A O no hydrogen 2.822 N/A GLU 11.A N ALA 8.A O no hydrogen 3.170 N/A LEU 12.A N ARG 9.A O no hydrogen 3.018 N/A VAL 18.A N HIS 16.A ND1 no hydrogen 3.215 N/A SER 20.A N HIS 16.A O no hydrogen 2.906 N/A SER 20.A OG ALA 10.A O no hydrogen 2.686 N/A LYS 21.A N PRO 17.A O no hydrogen 2.808 N/A LEU 22.A N VAL 18.A O no hydrogen 2.892 N/A LEU 23.A N ALA 19.A O no hydrogen 2.825 N/A ARG 24.A N SER 20.A O no hydrogen 3.006 N/A LEU 25.A N LYS 21.A O no hydrogen 3.272 N/A MET 26.A N LEU 22.A O no hydrogen 2.982 N/A GLN 27.A N LEU 23.A O no hydrogen 3.059 N/A LYS 28.A N ARG 24.A O no hydrogen 2.771 N/A LYS 28.A NZ GLU 85.A OE1 no hydrogen 2.730 N/A LYS 29.A N LEU 25.A O no hydrogen 2.793 N/A LYS 29.A NZ GLY 53.A O no hydrogen 2.958 N/A LYS 29.A NZ ILE 56.A O no hydrogen 2.737 N/A LYS 29.A NZ HIS 84.A O no hydrogen 2.717 N/A LYS 29.A NZ GLU 85.A O no hydrogen 2.621 N/A GLU 30.A N GLN 27.A O no hydrogen 3.409 N/A THR 31.A N MET 26.A O no hydrogen 3.232 N/A THR 31.A OG1 SER 55.A O no hydrogen 2.613 N/A ASN 32.A ND2 ASP 224.A O no hydrogen 2.886 N/A ASN 32.A ND2 ALA 249.A O no hydrogen 3.141 N/A LEU 33.A N THR 31.A OG1 no hydrogen 3.154 N/A CYS 34.A N ILE 226.A O no hydrogen 2.728 N/A CYS 34.A SG LEU 35.A O no hydrogen 3.922 N/A CYS 34.A SG MET 58.A O no hydrogen 3.789 N/A LEU 35.A N MET 58.A O no hydrogen 2.992 N/A SER 36.A N VAL 228.A O no hydrogen 2.798 N/A SER 36.A OG ASP 38.A OD1 no hydrogen 3.394 N/A SER 36.A OG ASP 38.A OD2 no hydrogen 2.705 N/A ALA 37.A N LYS 60.A O no hydrogen 2.939 N/A ASP 38.A N SER 36.A O no hydrogen 2.941 N/A VAL 39.A N ALA 37.A O no hydrogen 2.946 N/A ALA 42.A N ASP 68.A OD1 no hydrogen 2.880 N/A ARG 43.A NE GLN 47.A OE1 no hydrogen 3.325 N/A LEU 45.A N LEU 41.A O no hydrogen 3.011 N/A LEU 46.A N ALA 42.A O no hydrogen 2.833 N/A GLN 47.A N ARG 43.A O no hydrogen 2.939 N/A LEU 48.A N GLU 44.A O no hydrogen 2.922 N/A ALA 49.A N LEU 45.A O no hydrogen 2.899 N/A ASP 50.A N LEU 46.A O no hydrogen 2.996 N/A ALA 51.A N GLN 47.A O no hydrogen 3.015 N/A LEU 52.A N LEU 48.A O no hydrogen 2.876 N/A SER 55.A N LEU 52.A O no hydrogen 2.858 N/A SER 55.A OG GLU 243.A OE2 no hydrogen 2.575 N/A ILE 56.A N GLY 53.A O no hydrogen 3.253 N/A CYS 57.A N LEU 33.A O no hydrogen 2.943 N/A CYS 57.A SG LEU 33.A O no hydrogen 3.563 N/A LEU 59.A N LEU 87.A O no hydrogen 2.811 N/A LYS 60.A N LEU 35.A O no hydrogen 2.752 N/A LYS 60.A NZ SER 36.A OG no hydrogen 3.091 N/A LYS 60.A NZ ASP 91.A OD2 no hydrogen 2.745 N/A THR 61.A N PHE 89.A O no hydrogen 2.812 N/A THR 61.A OG1 PHE 89.A O no hydrogen 3.475 N/A THR 61.A OG1 GLU 90.A OE1 no hydrogen 2.689 N/A VAL 63.A N GLU 90.A OE1 no hydrogen 2.947 N/A ILE 65.A N HIS 62.A O no hydrogen 3.031 N/A LEU 66.A N VAL 63.A O no hydrogen 3.204 N/A ASN 67.A N SER 40.A O no hydrogen 2.695 N/A PHE 69.A N LEU 66.A O no hydrogen 3.434 N/A VAL 73.A N THR 70.A OG1 no hydrogen 3.273 N/A MET 74.A N THR 70.A O no hydrogen 3.406 N/A LYS 75.A N LEU 71.A O no hydrogen 2.879 N/A LYS 75.A NZ ASP 72.A O no hydrogen 3.009 N/A GLU 76.A N ASP 72.A O no hydrogen 3.010 N/A LEU 77.A N VAL 73.A O no hydrogen 2.966 N/A ILE 78.A N MET 74.A O no hydrogen 2.927 N/A THR 79.A N LYS 75.A O no hydrogen 3.093 N/A THR 79.A OG1 LYS 75.A O no hydrogen 3.228 N/A LEU 80.A N GLU 76.A O no hydrogen 3.065 N/A ALA 81.A N LEU 77.A O no hydrogen 2.851 N/A LYS 82.A N ILE 78.A O no hydrogen 2.861 N/A CYS 83.A N THR 79.A O no hydrogen 2.915 N/A HIS 84.A N LEU 80.A O no hydrogen 2.862 N/A HIS 84.A NE2 ASP 50.A OD1 no hydrogen 2.737 N/A PHE 86.A N ALA 81.A O no hydrogen 3.044 N/A LEU 87.A N CYS 57.A O no hydrogen 3.107 N/A ILE 88.A N ASP 117.A OD2 no hydrogen 2.924 N/A PHE 89.A N LEU 59.A O no hydrogen 2.918 N/A GLU 90.A N LEU 118.A O no hydrogen 2.918 N/A ASP 91.A N THR 61.A O no hydrogen 2.950 N/A ARG 92.A N GLU 90.A O no hydrogen 2.800 N/A ARG 92.A NH1 ARG 92.A O no hydrogen 2.881 N/A LYS 93.A N ASN 120.A OD1 no hydrogen 2.883 N/A LYS 93.A NZ ASP 91.A OD1 no hydrogen 2.624 N/A PHE 94.A N ASN 120.A O no hydrogen 3.202 N/A ILE 97.A N ASP 96.A OD1 no hydrogen 2.875 N/A THR 100.A N ILE 97.A O no hydrogen 3.005 N/A VAL 101.A N ILE 97.A O no hydrogen 3.021 N/A LYS 102.A N GLY 98.A O no hydrogen 3.230 N/A LYS 103.A NZ ASN 99.A OD1 no hydrogen 3.507 N/A GLN 104.A N THR 100.A O no hydrogen 3.174 N/A TYR 105.A N VAL 101.A O no hydrogen 2.969 N/A GLU 106.A N LYS 102.A O no hydrogen 3.078 N/A GLY 107.A N LYS 103.A O no hydrogen 2.804 N/A LYS 111.A N GLY 107.A O no hydrogen 3.077 N/A LYS 111.A NZ GLU 106.A O no hydrogen 3.153 N/A ALA 113.A N TYR 105.A O no hydrogen 2.805 N/A SER 114.A N LYS 111.A O no hydrogen 3.062 N/A SER 114.A OG LYS 111.A O no hydrogen 2.740 N/A TRP 115.A N ILE 112.A O no hydrogen 3.141 N/A TRP 115.A NE1 PHE 110.A O no hydrogen 2.845 N/A ALA 116.A N ILE 112.A O no hydrogen 3.004 N/A LEU 118.A N ILE 88.A O no hydrogen 3.062 N/A VAL 119.A N GLY 143.A O no hydrogen 3.270 N/A ASN 120.A ND2 ASP 91.A OD1 no hydrogen 2.775 N/A ALA 121.A N LEU 145.A O no hydrogen 2.916 N/A HIS 122.A N PHE 94.A O no hydrogen 2.854 N/A GLY 126.A N VAL 123.A O no hydrogen 2.942 N/A VAL 129.A N GLY 126.A O no hydrogen 3.284 N/A LYS 131.A N SER 127.A O no hydrogen 2.920 N/A LYS 131.A NZ HIS 172.A NE2 no hydrogen 3.266 N/A GLY 132.A N GLY 128.A O no hydrogen 2.848 N/A LEU 133.A N VAL 129.A O no hydrogen 3.372 N/A GLN 134.A N VAL 130.A O no hydrogen 2.900 N/A GLU 135.A N LYS 131.A O no hydrogen 3.306 N/A VAL 136.A N LEU 133.A O no hydrogen 3.218 N/A GLY 137.A N LEU 133.A O no hydrogen 2.802 N/A LEU 138.A N GLN 134.A O no hydrogen 2.906 N/A HIS 141.A N LEU 138.A O no hydrogen 2.915 N/A ARG 142.A N GLY 137.A O no hydrogen 3.064 N/A ARG 142.A NE ALA 113.A O no hydrogen 2.916 N/A ARG 142.A NH2 ALA 113.A O no hydrogen 2.821 N/A GLY 143.A N ASP 117.A O no hydrogen 2.970 N/A CYS 144.A N PHE 175.A O no hydrogen 2.964 N/A CYS 144.A SG VAL 119.A O no hydrogen 3.945 N/A CYS 144.A SG LEU 145.A O no hydrogen 3.801 N/A LEU 145.A N VAL 119.A O no hydrogen 2.858 N/A LEU 146.A N GLY 178.A O no hydrogen 2.993 N/A ILE 147.A N ALA 121.A O no hydrogen 2.922 N/A ALA 148.A N ILE 180.A O no hydrogen 2.862 N/A GLU 149.A N ILE 180.A O no hydrogen 3.241 N/A SER 151.A OG GLN 209.A OE1 no hydrogen 2.601 N/A THR 153.A N GLY 208.A O no hydrogen 2.866 N/A SER 155.A N SER 152.A O no hydrogen 3.219 N/A ALA 157.A N SER 155.A OG no hydrogen 3.243 N/A THR 158.A N LEU 156.A O no hydrogen 2.914 N/A TYR 161.A N THR 158.A O no hydrogen 2.909 N/A THR 162.A OG1 ALA 148.A O no hydrogen 2.849 N/A ARG 163.A N GLY 159.A O no hydrogen 3.155 N/A ARG 163.A NE ASP 160.A OD1 no hydrogen 3.178 N/A ARG 163.A NH2 ASP 160.A OD1 no hydrogen 2.884 N/A ALA 164.A N ASP 160.A O no hydrogen 2.881 N/A ALA 165.A N TYR 161.A O no hydrogen 3.043 N/A VAL 166.A N THR 162.A O no hydrogen 3.086 N/A ARG 167.A N ARG 163.A O no hydrogen 3.066 N/A MET 168.A N ALA 164.A O no hydrogen 2.918 N/A ALA 169.A N ALA 165.A O no hydrogen 2.993 N/A GLU 170.A N VAL 166.A O no hydrogen 3.007 N/A GLU 171.A N ARG 167.A O no hydrogen 2.930 N/A HIS 172.A N ALA 169.A O no hydrogen 3.060 N/A HIS 172.A ND1 MET 168.A O no hydrogen 2.939 N/A PHE 175.A N HIS 172.A O no hydrogen 2.996 N/A VAL 176.A N HIS 172.A O no hydrogen 2.849 N/A VAL 177.A N CYS 144.A O no hydrogen 2.864 N/A PHE 179.A N LEU 192.A O no hydrogen 2.769 N/A ILE 180.A N LEU 146.A O no hydrogen 2.877 N/A SER 181.A N LEU 194.A O no hydrogen 3.043 N/A SER 181.A OG SER 183.A O no hydrogen 2.663 N/A GLY 182.A N GLU 149.A OE1 no hydrogen 2.880 N/A SER 183.A OG GLU 149.A OE1 no hydrogen 3.520 N/A ARG 184.A N ARG 221.A O no hydrogen 3.137 N/A ARG 184.A NE GLY 222.A O no hydrogen 3.124 N/A ARG 184.A NH1 GLU 3.A OE1 no hydrogen 3.020 N/A ARG 184.A NH1 GLU 3.A OE2 no hydrogen 3.502 N/A ARG 184.A NH2 GLU 3.A OE2 no hydrogen 3.133 N/A ARG 184.A NH2 GLY 222.A O no hydrogen 3.277 N/A VAL 185.A N HIS 193.A NE2 no hydrogen 2.931 N/A SER 186.A N HIS 193.A NE2 no hydrogen 3.366 N/A LYS 188.A N SER 186.A OG no hydrogen 3.042 N/A LYS 188.A NZ GLU 170.A OE2 no hydrogen 3.130 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.946 N/A PHE 191.A N LYS 188.A O no hydrogen 3.086 N/A LEU 192.A N VAL 177.A O no hydrogen 2.864 N/A HIS 193.A N ASP 224.A OD2 no hydrogen 2.868 N/A LEU 194.A N PHE 179.A O no hydrogen 2.967 N/A THR 195.A N ILE 225.A O no hydrogen 2.827 N/A THR 195.A OG1 SER 181.A O no hydrogen 2.603 N/A THR 195.A OG1 SER 223.A OG no hydrogen 2.633 N/A GLN 199.A N ASN 212.A O no hydrogen 3.140 N/A LEU 200.A N TYR 245.A OH no hydrogen 3.017 N/A GLY 203.A N TYR 211.A O no hydrogen 3.336 N/A ASP 205.A N GLN 209.A O no hydrogen 3.104 N/A LEU 207.A N ASP 205.A OD1 no hydrogen 2.780 N/A GLN 209.A N ASP 205.A OD1 no hydrogen 2.913 N/A GLN 210.A N GLN 209.A OE1 no hydrogen 3.085 N/A GLN 210.A NE2 SER 151.A O no hydrogen 2.957 N/A TYR 211.A N GLY 203.A O no hydrogen 2.757 N/A ASN 212.A N GLY 197.A O no hydrogen 2.957 N/A GLU 216.A N SER 213.A OG no hydrogen 3.087 N/A VAL 217.A N SER 213.A O no hydrogen 3.075 N/A ILE 218.A N PRO 214.A O no hydrogen 2.799 N/A LYS 220.A N GLN 215.A O no hydrogen 3.035 N/A ARG 221.A N GLU 216.A O no hydrogen 2.715 N/A ARG 221.A NE GLU 216.A OE2 no hydrogen 3.088 N/A SER 223.A N VAL 217.A O no hydrogen 2.971 N/A SER 223.A OG HIS 193.A O no hydrogen 3.011 N/A SER 223.A OG THR 195.A OG1 no hydrogen 2.633 N/A ASP 224.A N HIS 193.A O no hydrogen 2.913 N/A ILE 225.A N HIS 193.A O no hydrogen 3.013 N/A ILE 226.A N ASN 32.A O no hydrogen 3.113 N/A ILE 227.A N THR 195.A O no hydrogen 2.869 N/A VAL 228.A N CYS 34.A O no hydrogen 3.043 N/A ARG 230.A NH1 ASP 205.A OD2 no hydrogen 2.948 N/A ARG 230.A NH2 ASP 205.A OD2 no hydrogen 3.014 N/A ILE 232.A N GLY 229.A O no hydrogen 2.877 N/A ILE 233.A N GLY 229.A O no hydrogen 2.829 N/A SER 234.A N ARG 230.A O no hydrogen 3.099 N/A SER 234.A OG ARG 230.A O no hydrogen 3.350 N/A ALA 235.A N ILE 232.A O no hydrogen 2.964 N/A ARG 238.A NH1 GLU 44.A OE2 no hydrogen 3.054 N/A ARG 238.A NH1 ILE 233.A O no hydrogen 2.879 N/A ARG 238.A NH2 GLU 44.A OE2 no hydrogen 2.824 N/A LEU 239.A N ASP 237.A OD1 no hydrogen 2.981 N/A GLU 240.A N ASP 237.A OD1 no hydrogen 3.241 N/A ALA 241.A N ASP 237.A O no hydrogen 3.193 N/A ALA 242.A N ARG 238.A O no hydrogen 2.972 N/A GLU 243.A N LEU 239.A O no hydrogen 2.912 N/A MET 244.A N GLU 240.A O no hydrogen 2.921 N/A TYR 245.A N ALA 241.A O no hydrogen 2.976 N/A ARG 246.A N ALA 242.A O no hydrogen 2.827 N/A ARG 246.A NE GLU 243.A OE1 no hydrogen 3.407 N/A ARG 246.A NE GLU 243.A OE2 no hydrogen 2.912 N/A ARG 246.A NH1 GLU 30.A O no hydrogen 2.833 N/A ARG 246.A NH2 GLU 243.A OE1 no hydrogen 2.907 N/A LYS 247.A N GLU 243.A O no hydrogen 3.040 N/A ALA 248.A N MET 244.A O no hydrogen 3.153 N/A ALA 249.A N TYR 245.A O no hydrogen 2.919 N/A TRP 250.A N ARG 246.A O no hydrogen 2.836 N/A GLU 251.A N LYS 247.A O no hydrogen 2.776 N/A ALA 252.A N ALA 248.A O no hydrogen 3.081 N/A TYR 253.A N ALA 249.A O no hydrogen 3.083 N/A LEU 254.A N TRP 250.A O no hydrogen 2.957 N/A SER 255.A N GLU 251.A O no hydrogen 2.974 N/A SER 255.A OG.A GLU 251.A O no hydrogen 3.277 N/A SER 255.A OG.B ALA 252.A O no hydrogen 2.543 N/A ARG 256.A N ALA 252.A O no hydrogen 3.425 N/A ARG 256.A NH1 ILE 218.A O no hydrogen 3.125 N/A ARG 256.A NH1 SER 223.A O no hydrogen 2.945 N/A ARG 256.A NH2 ASP 224.A OD1 no hydrogen 3.403 N/A LEU 257.A N TYR 253.A O no hydrogen 3.182 N/A LEU 257.A N LEU 254.A O no hydrogen 3.182 N/A GLY 258.A N LEU 254.A O no hydrogen 3.380 N/A