Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cdx_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N ASN 8.A O no hydrogen 2.915 N/A ASP 5.A N ASN 8.A OD1 no hydrogen 2.949 N/A ASN 8.A ND2 ASP 1.A O no hydrogen 3.601 N/A ASN 8.A ND2 ASP 5.A OD2 no hydrogen 3.329 N/A GLN 12.A N GLY 9.A O no hydrogen 2.891 N/A TRP 13.A N PRO 10.A O no hydrogen 3.410 N/A TRP 13.A NE1 GLY 3.A O no hydrogen 2.973 N/A LYS 15.A N GLN 12.A O no hydrogen 3.066 N/A LYS 15.A NZ GLN 12.A OE1 no hydrogen 2.995 N/A LEU 16.A N TRP 13.A O no hydrogen 3.200 N/A TYR 17.A N TRP 13.A O no hydrogen 2.759 N/A ALA 20.A N TYR 17.A O no hydrogen 2.923 N/A ASN 21.A N PRO 18.A O no hydrogen 3.141 N/A GLY 22.A N ILE 19.A O no hydrogen 2.834 N/A ASN 24.A N GLU 202.A OE1 no hydrogen 2.910 N/A ASN 24.A ND2 GLU 202.A OE2 no hydrogen 3.355 N/A GLN 25.A NE2 LEU 200.A O no hydrogen 3.185 N/A GLN 25.A NE2 GLU 202.A OE1 no hydrogen 3.020 N/A SER 26.A N SER 194.A OG no hydrogen 2.879 N/A SER 26.A OG TYR 191.A OH no hydrogen 2.765 N/A SER 26.A OG SER 194.A O no hydrogen 3.480 N/A ILE 30.A N THR 105.A O no hydrogen 2.869 N/A LYS 31.A NZ ASP 29.A OD2 no hydrogen 2.733 N/A THR 32.A N ASP 107.A OD1 no hydrogen 2.829 N/A THR 32.A OG1 ASP 107.A OD1 no hydrogen 3.270 N/A THR 32.A OG1 ASP 107.A OD2 no hydrogen 2.620 N/A GLU 34.A N LYS 31.A O no hydrogen 2.985 N/A THR 35.A OG1 THR 32.A O no hydrogen 2.986 N/A LYS 36.A N VAL 253.A O no hydrogen 3.015 N/A HIS 37.A ND1 PHE 257.A OXT no hydrogen 3.115 N/A ASP 38.A N ALA 255.A O no hydrogen 3.101 N/A SER 40.A N ASP 38.A OD1 no hydrogen 2.800 N/A SER 40.A OG ASP 38.A OD1 no hydrogen 2.576 N/A SER 40.A OG ASP 38.A OD2 no hydrogen 3.226 N/A LEU 41.A N ASP 38.A O no hydrogen 3.204 N/A LYS 42.A N GLY 79.A O no hydrogen 3.114 N/A SER 45.A N LYS 77.A O no hydrogen 2.833 N/A SER 47.A N VAL 75.A O no hydrogen 2.923 N/A TYR 48.A OH HIS 119.A NE2 no hydrogen 2.666 N/A ASN 49.A N SER 74.A OG no hydrogen 2.899 N/A ALA 51.A N ASN 49.A OD1 no hydrogen 2.926 N/A THR 52.A N ASN 49.A O no hydrogen 2.976 N/A THR 52.A OG1 ASN 49.A O no hydrogen 2.732 N/A THR 52.A OG1 SER 74.A OG no hydrogen 2.846 N/A ALA 53.A N PRO 50.A O no hydrogen 3.225 N/A LYS 54.A N ASN 66.A O no hydrogen 2.876 N/A GLU 55.A N ASN 66.A O no hydrogen 3.277 N/A ILE 56.A N ALA 171.A O no hydrogen 2.872 N/A ILE 57.A N HIS 64.A O no hydrogen 2.901 N/A ASN 58.A N LYS 169.A O no hydrogen 2.911 N/A ASN 58.A ND2 ILE 164.A O no hydrogen 3.045 N/A ASN 58.A ND2 LEU 227.A O no hydrogen 2.967 N/A VAL 59.A N SER 62.A O no hydrogen 2.958 N/A GLY 60.A N ASN 58.A OD1 no hydrogen 2.771 N/A SER 62.A OG PHE 63.A O no hydrogen 3.516 N/A SER 62.A OG PHE 92.A O no hydrogen 3.375 N/A HIS 64.A N ILE 57.A O no hydrogen 2.919 N/A VAL 65.A N PHE 90.A O no hydrogen 3.004 N/A ASN 66.A N GLU 55.A O no hydrogen 2.803 N/A PHE 67.A N PHE 88.A O no hydrogen 2.927 N/A GLU 68.A N THR 52.A O no hydrogen 2.752 N/A ARG 73.A N ASP 71.A OD1 no hydrogen 3.115 N/A ARG 73.A NE ASP 71.A OD1 no hydrogen 2.849 N/A ARG 73.A NH2 GLU 68.A OE1 no hydrogen 2.856 N/A SER 74.A OG THR 52.A OG1 no hydrogen 2.846 N/A VAL 75.A N SER 47.A O no hydrogen 2.934 N/A LEU 76.A N TYR 85.A O no hydrogen 2.779 N/A LYS 77.A N SER 45.A O no hydrogen 2.841 N/A GLY 79.A N PRO 43.A O no hydrogen 2.987 N/A PHE 81.A N GLY 78.A O no hydrogen 2.908 N/A TYR 85.A N LEU 76.A O no hydrogen 2.923 N/A TYR 85.A OH ASP 136.A O no hydrogen 3.057 N/A ARG 86.A N TRP 120.A O no hydrogen 2.784 N/A ARG 86.A NE ASN 72.A OD1 no hydrogen 2.955 N/A ARG 86.A NH1 ASP 69.A O no hydrogen 2.874 N/A ARG 86.A NH2 ASN 72.A OD1 no hydrogen 3.032 N/A LEU 87.A N SER 74.A O no hydrogen 2.968 N/A PHE 88.A N ALA 118.A O no hydrogen 2.890 N/A GLN 89.A N ALA 118.A O no hydrogen 3.440 N/A GLN 89.A NE2 ASN 66.A OD1 no hydrogen 2.841 N/A PHE 90.A N VAL 65.A O no hydrogen 2.946 N/A HIS 91.A N HIS 116.A O no hydrogen 2.997 N/A HIS 91.A ND1 GLN 89.A OE1 no hydrogen 2.883 N/A HIS 93.A N GLU 114.A O no hydrogen 2.855 N/A HIS 93.A ND1 ASN 241.A O no hydrogen 2.746 N/A HIS 93.A NE2 HIS 91.A NE2 no hydrogen 3.217 N/A TRP 94.A N ASN 241.A OD1 no hydrogen 2.812 N/A TRP 94.A NE1 MET 238.A O no hydrogen 2.894 N/A SER 96.A N HIS 100.A NE2.A no hydrogen 2.989 N/A SER 96.A OG HIS 100.A NE2.A no hydrogen 3.052 N/A ASN 98.A ND2 SER 217.A OG.A no hydrogen 3.046 N/A ASN 98.A ND2 SER 217.A OG.B no hydrogen 2.752 N/A GLU 99.A N THR 97.A OG1 no hydrogen 3.411 N/A HIS 100.A N THR 97.A O no hydrogen 3.481 N/A HIS 100.A ND1.A GLU 99.A OE1 no hydrogen 2.863 N/A HIS 100.A NE2.A SER 96.A OG no hydrogen 3.052 N/A GLY 101.A N HIS 100.A ND1.B no hydrogen 3.048 N/A SER 102.A N TYR 111.A O no hydrogen 2.981 N/A SER 102.A OG HIS 104.A O no hydrogen 2.738 N/A GLU 103.A N GLU 114.A OE2 no hydrogen 2.766 N/A HIS 104.A N GLU 114.A OE2 no hydrogen 2.765 N/A HIS 104.A ND1 GLU 114.A OE1 no hydrogen 2.719 N/A HIS 104.A NE2 TYR 191.A OH no hydrogen 2.613 N/A THR 105.A N VAL 28.A O no hydrogen 3.384 N/A THR 105.A OG1 ASP 29.A OD1 no hydrogen 2.660 N/A VAL 106.A N VAL 109.A O no hydrogen 3.216 N/A ASP 107.A N ILE 30.A O no hydrogen 2.816 N/A GLY 108.A N ASP 29.A OD1 no hydrogen 2.821 N/A VAL 109.A N VAL 106.A O no hydrogen 2.970 N/A LYS 110.A NZ GLU 99.A OE2 no hydrogen 3.334 N/A TYR 111.A N SER 102.A OG no hydrogen 3.051 N/A SER 112.A N MET 145.A O no hydrogen 2.949 N/A SER 112.A OG ASN 98.A O no hydrogen 2.680 N/A ALA 113.A N MET 145.A O no hydrogen 3.332 N/A GLU 114.A N HIS 93.A O no hydrogen 2.918 N/A LEU 115.A N VAL 143.A O no hydrogen 2.916 N/A HIS 116.A N HIS 91.A O no hydrogen 2.864 N/A HIS 116.A NE2 GLU 114.A OE1 no hydrogen 2.695 N/A VAL 117.A N ILE 141.A O no hydrogen 2.883 N/A ALA 118.A N GLN 89.A O no hydrogen 2.813 N/A HIS 119.A N ALA 139.A O no hydrogen 2.885 N/A HIS 119.A ND1 ALA 139.A O no hydrogen 2.947 N/A HIS 119.A NE2 TYR 48.A OH no hydrogen 2.666 N/A TRP 120.A N ARG 86.A O no hydrogen 2.923 N/A TRP 120.A NE1 ASP 69.A OD2 no hydrogen 2.835 N/A ASN 121.A N GLY 137.A O no hydrogen 2.800 N/A ASN 121.A ND2 ASP 83.A OD2 no hydrogen 2.948 N/A ASN 121.A ND2 ASP 136.A O no hydrogen 3.139 N/A SER 122.A OG ASN 72.A OD1 no hydrogen 3.200 N/A ALA 123.A N ASN 121.A OD1 no hydrogen 3.029 N/A LYS 124.A N ASN 121.A OD1 no hydrogen 3.090 N/A LYS 124.A NZ TYR 125.A OH no hydrogen 3.539 N/A LYS 124.A NZ ASP 136.A OD2 no hydrogen 2.563 N/A TYR 125.A N ASN 121.A O no hydrogen 3.020 N/A TYR 125.A OH ASP 136.A OD1 no hydrogen 2.516 N/A SER 126.A N GLU 130.A OE1 no hydrogen 2.801 N/A GLU 130.A N SER 127.A OG no hydrogen 3.017 N/A ALA 131.A N SER 127.A O no hydrogen 2.967 N/A ALA 132.A N LEU 128.A O no hydrogen 2.882 N/A LYS 134.A N ALA 131.A O no hydrogen 3.019 N/A LYS 134.A NZ GLU 130.A O no hydrogen 2.896 N/A GLY 137.A N LYS 134.A O no hydrogen 2.834 N/A LEU 138.A N SER 203.A O no hydrogen 2.950 N/A ALA 139.A N HIS 119.A O no hydrogen 2.959 N/A VAL 140.A N THR 205.A O no hydrogen 3.166 N/A ILE 141.A N VAL 117.A O no hydrogen 2.907 N/A GLY 142.A N ILE 207.A O no hydrogen 2.792 N/A VAL 143.A N LEU 115.A O no hydrogen 2.884 N/A MET 145.A N ALA 113.A O no hydrogen 2.902 N/A LYS 146.A N ILE 213.A O no hydrogen 2.819 N/A GLY 148.A N VAL 215.A O no hydrogen 2.857 N/A ASN 151.A N GLN 219.A OE1 no hydrogen 2.880 N/A ASN 151.A ND2 SER 214.A O no hydrogen 2.941 N/A LYS 153.A N ASN 151.A OD1 no hydrogen 2.949 N/A LEU 154.A N ASN 151.A O no hydrogen 3.208 N/A GLN 155.A N PRO 152.A O no hydrogen 2.992 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 2.767 N/A GLN 155.A NE2 ASP 159.A OD2 no hydrogen 3.554 N/A LYS 156.A NZ THR 174.A O no hydrogen 2.875 N/A LEU 158.A N LEU 154.A O no hydrogen 2.985 N/A ASP 159.A N GLN 155.A O no hydrogen 2.907 N/A ALA 160.A N LYS 156.A O no hydrogen 3.200 N/A ALA 160.A N VAL 157.A O no hydrogen 3.066 N/A LEU 161.A N LEU 158.A O no hydrogen 3.284 N/A GLN 162.A NE2 ASP 159.A O no hydrogen 2.920 N/A ALA 163.A N ALA 160.A O no hydrogen 3.183 N/A ILE 164.A N LEU 161.A O no hydrogen 2.933 N/A LYS 165.A NZ SER 225.A O no hydrogen 3.110 N/A LYS 167.A N ASN 229.A O no hydrogen 2.882 N/A GLY 168.A N ASN 58.A O no hydrogen 2.880 N/A LYS 169.A N THR 166.A O no hydrogen 3.099 N/A LYS 169.A NZ ALA 163.A O no hydrogen 3.375 N/A ARG 170.A NE GLY 168.A O no hydrogen 3.292 N/A ARG 170.A NH2 GLY 168.A O no hydrogen 3.356 N/A ALA 171.A N ILE 56.A O no hydrogen 2.905 N/A PHE 173.A N LYS 54.A O no hydrogen 3.044 N/A PHE 176.A N PRO 50.A O no hydrogen 3.110 N/A SER 179.A N ASP 177.A OD1 no hydrogen 2.919 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.794 N/A SER 179.A OG ASP 177.A OD2 no hydrogen 3.140 N/A THR 180.A N ASP 177.A O no hydrogen 3.118 N/A THR 180.A OG1 ASP 177.A O no hydrogen 2.755 N/A LEU 181.A N PRO 178.A O no hydrogen 2.999 N/A LEU 182.A N SER 179.A O no hydrogen 3.185 N/A SER 185.A N GLU 211.A OE1 no hydrogen 3.101 N/A ASP 187.A N SER 185.A OG no hydrogen 3.118 N/A PHE 188.A N SER 256.A OG no hydrogen 2.957 N/A TRP 189.A N ILE 208.A O no hydrogen 2.861 N/A THR 190.A N ARG 254.A O no hydrogen 2.855 N/A THR 190.A OG1 TRP 206.A O no hydrogen 2.769 N/A TYR 191.A N TRP 206.A O no hydrogen 3.340 N/A TYR 191.A OH SER 26.A OG no hydrogen 2.765 N/A TYR 191.A OH HIS 104.A NE2 no hydrogen 2.613 N/A GLY 193.A N VAL 204.A O no hydrogen 2.775 N/A SER 194.A N SER 26.A OG no hydrogen 2.945 N/A SER 194.A OG LEU 195.A O no hydrogen 2.725 N/A LEU 195.A N TYR 201.A O no hydrogen 2.891 N/A THR 196.A OG1 GLU 103.A OE1 no hydrogen 3.491 N/A THR 196.A OG1 GLU 103.A OE2 no hydrogen 2.659 N/A LEU 200.A N HIS 197.A O no hydrogen 2.887 N/A SER 203.A OG ALA 132.A O no hydrogen 2.743 N/A SER 203.A OG TYR 201.A O no hydrogen 3.518 N/A VAL 204.A N GLY 193.A O no hydrogen 3.194 N/A THR 205.A N LEU 138.A O no hydrogen 2.944 N/A TRP 206.A N TYR 191.A O no hydrogen 3.065 N/A TRP 206.A NE1 SER 194.A O no hydrogen 2.999 N/A ILE 207.A N VAL 140.A O no hydrogen 2.913 N/A ILE 208.A N TRP 189.A O no hydrogen 2.774 N/A CYS 209.A N GLY 142.A O no hydrogen 2.978 N/A CYS 209.A SG GLY 142.A O no hydrogen 4.005 N/A LYS 210.A N ASP 187.A O no hydrogen 2.977 N/A LYS 210.A NZ ASP 187.A OD2 no hydrogen 2.800 N/A ILE 213.A N LEU 144.A O no hydrogen 3.002 N/A SER 214.A OG.A GLU 149.A O no hydrogen 2.796 N/A SER 214.A OG.B GLU 149.A O no hydrogen 2.757 N/A VAL 215.A N LYS 146.A O no hydrogen 3.216 N/A SER 216.A N GLN 219.A OE1 no hydrogen 3.052 N/A GLN 219.A N SER 216.A OG no hydrogen 3.084 N/A GLN 219.A NE2 ASN 151.A O no hydrogen 2.943 N/A LEU 220.A N SER 216.A O no hydrogen 3.092 N/A ALA 221.A N SER 217.A O no hydrogen 3.068 N/A GLN 222.A N GLU 218.A O no hydrogen 3.193 N/A GLN 222.A NE2 LEU 158.A O no hydrogen 3.700 N/A PHE 223.A N GLN 219.A O no hydrogen 3.414 N/A ARG 224.A N LEU 220.A O no hydrogen 3.110 N/A ARG 224.A NE GLY 95.A O no hydrogen 2.692 N/A ARG 224.A NH1 ASN 98.A OD1 no hydrogen 3.214 N/A SER 225.A N GLN 222.A O no hydrogen 3.239 N/A SER 225.A OG GLN 222.A O no hydrogen 2.863 N/A LEU 226.A N PHE 223.A O no hydrogen 3.096 N/A LEU 227.A N LYS 165.A O no hydrogen 2.833 N/A SER 228.A N VAL 236.A O no hydrogen 2.874 N/A SER 228.A OG VAL 236.A O no hydrogen 2.936 N/A ASP 233.A N VAL 230.A O no hydrogen 3.097 N/A MET 238.A N LEU 226.A O no hydrogen 2.774 N/A ASN 241.A N TRP 94.A O no hydrogen 3.024 N/A ASN 241.A ND2 HIS 61.A O no hydrogen 3.069 N/A ARG 243.A N GLU 103.A OE1 no hydrogen 2.827 N/A ARG 243.A NH1 GLN 25.A OE1 no hydrogen 2.802 N/A ARG 243.A NH1 SER 26.A O no hydrogen 2.833 N/A ARG 243.A NH2 ALA 20.A O no hydrogen 3.182 N/A ARG 243.A NH2 GLN 25.A OE1 no hydrogen 3.291 N/A GLN 246.A N PRO 27.A O no hydrogen 2.842 N/A GLN 246.A NE2 PRO 244.A O no hydrogen 2.849 N/A ARG 251.A N LEU 248.A O no hydrogen 3.057 N/A ARG 251.A NE LEU 248.A O no hydrogen 2.820 N/A ARG 251.A NH1 GLN 25.A O no hydrogen 3.106 N/A ARG 251.A NH1 PRO 192.A O no hydrogen 2.864 N/A ARG 251.A NH2 GLN 25.A O no hydrogen 2.834 N/A ARG 251.A NH2 PRO 247.A O no hydrogen 2.932 N/A ARG 254.A N THR 190.A O no hydrogen 2.955 N/A ARG 254.A NH1 ASP 38.A OD2 no hydrogen 2.895 N/A ALA 255.A N LYS 36.A O no hydrogen 2.968 N/A SER 256.A N PHE 188.A O no hydrogen 2.885 N/A SER 256.A OG PHE 188.A O no hydrogen 3.221 N/A