Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dun_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ILE 257.A O no hydrogen 2.994 N/A MET 2.A N ILE 257.A O no hydrogen 3.436 N/A TYR 4.A N GLY 255.A O no hydrogen 2.855 N/A TYR 5.A N VAL 22.A O no hydrogen 2.960 N/A TYR 5.A OH GLU 3.A OE2 no hydrogen 2.793 N/A ILE 6.A N MET 253.A O no hydrogen 2.922 N/A VAL 7.A N ALA 20.A O no hydrogen 2.959 N/A ASP 8.A N VAL 250.A O no hydrogen 2.858 N/A SER 9.A N.A ASN 18.A O no hydrogen 3.000 N/A SER 9.A N.B ASN 18.A O no hydrogen 3.003 N/A SER 9.A OG.A HIS 72.A O no hydrogen 2.882 N/A SER 9.A OG.B ASN 18.A O no hydrogen 2.847 N/A SER 9.A OG.B HIS 72.A O no hydrogen 3.382 N/A ALA 11.A N GLU 248.A O no hydrogen 3.178 N/A PHE 15.A N ASP 8.A OD2 no hydrogen 2.909 N/A GLY 17.A N GLY 230.A O no hydrogen 2.785 N/A ASN 18.A N SER 9.A O.A no hydrogen 2.872 N/A ASN 18.A N SER 9.A O.B no hydrogen 2.871 N/A ASN 18.A ND2 ASP 198.A OD1 no hydrogen 3.225 N/A ASN 18.A ND2 VAL 200.A O no hydrogen 2.862 N/A ALA 20.A N VAL 7.A O no hydrogen 2.908 N/A GLY 21.A N GLU 45.A O no hydrogen 3.010 N/A VAL 22.A N TYR 5.A O no hydrogen 2.745 N/A CYS 23.A N.A ALA 47.A O no hydrogen 2.763 N/A CYS 23.A N.B ALA 47.A O no hydrogen 2.745 N/A VAL 24.A N GLU 3.A O no hydrogen 2.960 N/A LEU 25.A N VAL 49.A O no hydrogen 2.812 N/A ARG 28.A NH1 GLU 57.A OE1 no hydrogen 2.826 N/A ARG 28.A NH1 GLU 57.A OE2 no hydrogen 3.270 N/A ARG 28.A NH2 GLU 57.A OE2 no hydrogen 2.590 N/A MET 34.A N PRO 30.A O no hydrogen 3.051 N/A GLN 35.A N LEU 31.A O no hydrogen 2.957 N/A GLN 35.A NE2 GLN 35.A O no hydrogen 3.057 N/A GLN 35.A NE2 THR 62.A O no hydrogen 2.942 N/A LYS 36.A N GLU 32.A O.A no hydrogen 3.085 N/A LYS 36.A N GLU 32.A O.B no hydrogen 3.120 N/A LYS 36.A NZ GLU 39.A OE1.A no hydrogen 3.320 N/A ILE 37.A N LEU 33.A O no hydrogen 2.956 N/A ALA 38.A N MET 34.A O no hydrogen 2.937 N/A GLU 39.A N.A GLN 35.A O no hydrogen 2.923 N/A GLU 39.A N.B GLN 35.A O no hydrogen 2.925 N/A GLU 40.A N LYS 36.A O no hydrogen 2.899 N/A ASN 41.A N ILE 37.A O no hydrogen 2.942 N/A ASN 41.A ND2 THR 46.A OG1 no hydrogen 3.057 N/A ASN 42.A N ALA 38.A O no hydrogen 3.082 N/A THR 46.A N PHE 61.A O no hydrogen 2.837 N/A ALA 47.A N GLY 21.A O no hydrogen 2.812 N/A PHE 48.A N ARG 59.A O no hydrogen 2.818 N/A VAL 49.A N CYS 23.A O.A no hydrogen 2.912 N/A VAL 49.A N CYS 23.A O.B no hydrogen 2.841 N/A VAL 50.A N GLU 57.A O no hydrogen 2.868 N/A LYS 51.A N LEU 25.A O no hydrogen 3.072 N/A GLY 52.A N ASN 55.A O no hydrogen 3.061 N/A ASN 55.A N GLY 52.A O no hydrogen 3.342 N/A GLU 57.A N VAL 50.A O no hydrogen 3.080 N/A LEU 58.A N PHE 95.A O no hydrogen 2.872 N/A ARG 59.A N PHE 48.A O no hydrogen 3.035 N/A ARG 59.A NH1 GLU 66.A OE2 no hydrogen 2.979 N/A PHE 61.A N THR 46.A O no hydrogen 2.952 N/A THR 62.A N ALA 65.A O no hydrogen 2.853 N/A THR 62.A OG1 ALA 65.A O no hydrogen 3.282 N/A LYS 64.A N THR 62.A OG1 no hydrogen 3.164 N/A ALA 65.A N THR 62.A OG1 no hydrogen 3.056 N/A ILE 67.A N TRP 60.A O no hydrogen 3.010 N/A THR 74.A N CYS 70.A O no hydrogen 2.981 N/A THR 74.A OG1 CYS 70.A O no hydrogen 2.677 N/A LEU 75.A N GLY 71.A O no hydrogen 3.071 N/A ALA 76.A N HIS 72.A O no hydrogen 3.304 N/A ALA 77.A N ALA 73.A O no hydrogen 2.952 N/A ALA 78.A N THR 74.A O no hydrogen 2.966 N/A TYR 79.A N LEU 75.A O no hydrogen 2.921 N/A VAL 80.A N ALA 76.A O no hydrogen 3.030 N/A ILE 81.A N.A ALA 77.A O no hydrogen 2.972 N/A ILE 81.A N.B ALA 77.A O no hydrogen 2.994 N/A SER 82.A N ALA 78.A O no hydrogen 3.016 N/A SER 82.A OG VAL 89.A O no hydrogen 2.672 N/A ASN 83.A N TYR 79.A O no hydrogen 2.932 N/A ASN 83.A ND2 TYR 79.A O no hydrogen 2.934 N/A PHE 84.A N VAL 80.A O no hydrogen 2.881 N/A ILE 85.A N ILE 81.A O.A no hydrogen 2.942 N/A ILE 85.A N ILE 81.A O.B no hydrogen 2.923 N/A ASP 86.A N ILE 81.A O.A no hydrogen 2.818 N/A ASP 86.A N ILE 81.A O.B no hydrogen 2.823 N/A ASN 88.A N SER 82.A O no hydrogen 2.756 N/A VAL 89.A N ASP 86.A O no hydrogen 3.053 N/A LYS 90.A NZ ASN 88.A O no hydrogen 3.350 N/A ILE 92.A N VAL 103.A O no hydrogen 2.857 N/A PHE 94.A N LEU 101.A O no hydrogen 2.785 N/A PHE 95.A N TYR 56.A O no hydrogen 2.839 N/A THR 96.A N GLY 99.A O no hydrogen 3.092 N/A THR 96.A OG1 GLY 99.A O no hydrogen 2.816 N/A GLN 97.A NE2 GLU 66.A OE2 no hydrogen 3.183 N/A SER 98.A N THR 96.A OG1 no hydrogen 3.030 N/A SER 98.A OG ASP 68.A O no hydrogen 2.644 N/A GLY 99.A N THR 96.A O no hydrogen 3.067 N/A LEU 101.A N PHE 94.A O no hydrogen 2.783 N/A VAL 103.A N ILE 92.A O no hydrogen 2.801 N/A THR 104.A N GLU 111.A O no hydrogen 3.007 N/A ARG 105.A N LYS 90.A O no hydrogen 2.771 N/A ARG 105.A NE GLY 107.A O no hydrogen 2.870 N/A ARG 105.A NH1 SER 82.A OG no hydrogen 2.996 N/A ARG 105.A NH2 ASN 108.A OD1 no hydrogen 2.747 N/A ASN 106.A N LEU 109.A O no hydrogen 2.752 N/A ASN 106.A ND2 GLU 111.A OE2 no hydrogen 2.939 N/A LEU 109.A N ASN 106.A O no hydrogen 2.899 N/A TYR 110.A N GLY 247.A O no hydrogen 2.830 N/A GLU 111.A N THR 104.A O no hydrogen 2.662 N/A MET 112.A N ILE 245.A O no hydrogen 2.823 N/A PHE 114.A N.A VAL 243.A O no hydrogen 2.931 N/A PHE 114.A N.B VAL 243.A O no hydrogen 2.936 N/A GLU 116.A N ASN 241.A O no hydrogen 2.977 N/A ILE 117.A N CYS 206.A O no hydrogen 2.851 N/A ILE 120.A N SER 141.A O no hydrogen 3.109 N/A ILE 122.A N VAL 139.A O no hydrogen 2.956 N/A SER 125.A N GLN 128.A OE1 no hydrogen 3.216 N/A SER 125.A OG GLN 128.A OE1 no hydrogen 3.293 N/A GLN 128.A N SER 125.A OG no hydrogen 3.243 N/A ALA 129.A N SER 125.A O no hydrogen 2.931 N/A ASN 130.A N PRO 126.A O no hydrogen 3.295 N/A ASN 130.A N GLN 127.A O no hydrogen 3.274 N/A LEU 131.A N GLN 128.A O no hydrogen 2.966 N/A CYS 134.A SG ILE 132.A O no hydrogen 3.827 N/A SER 137.A N.A LEU 148.A O no hydrogen 2.729 N/A SER 137.A N.B LEU 148.A O no hydrogen 2.723 N/A SER 137.A OG.A ASN 150.A OD1 no hydrogen 2.541 N/A SER 137.A OG.B ASP 138.A OD2 no hydrogen 3.532 N/A TYR 140.A N ILE 146.A O no hydrogen 2.856 N/A SER 141.A N ILE 120.A O no hydrogen 2.724 N/A SER 142.A N.A ASP 144.A O no hydrogen 3.084 N/A SER 142.A N.B ASP 144.A O no hydrogen 3.073 N/A SER 142.A OG.B ASP 144.A O no hydrogen 3.010 N/A SER 142.A OG.B ASN 207.A OD1 no hydrogen 2.638 N/A ARG 143.A NE ASP 144.A OD1 no hydrogen 3.436 N/A ARG 143.A NE ASP 144.A OD2 no hydrogen 3.187 N/A ARG 143.A NH1 ASP 144.A OD2 no hydrogen 2.842 N/A ARG 143.A NH1 SER 203.A OG no hydrogen 2.798 N/A ARG 143.A NH2 SER 203.A OG no hydrogen 3.142 N/A ASP 144.A N SER 142.A OG.B no hydrogen 3.316 N/A LEU 145.A N GLY 173.A O no hydrogen 2.998 N/A ILE 146.A N TYR 140.A O no hydrogen 2.900 N/A LEU 147.A N ILE 175.A O no hydrogen 2.751 N/A LEU 148.A N ASP 138.A O no hydrogen 2.973 N/A LEU 149.A N THR 177.A O no hydrogen 2.805 N/A ASN 150.A N GLU 154.A OE1 no hydrogen 3.087 N/A GLN 153.A NE2 ASN 157.A OD1 no hydrogen 2.994 N/A GLU 154.A N SER 151.A OG no hydrogen 3.026 N/A VAL 155.A N SER 151.A O no hydrogen 3.301 N/A ILE 156.A N GLU 152.A O no hydrogen 2.910 N/A ASN 157.A N GLN 153.A O no hydrogen 2.838 N/A TYR 158.A N GLU 154.A O no hydrogen 3.142 N/A TYR 158.A OH ILE 132.A O no hydrogen 2.622 N/A LYS 159.A NZ ASN 157.A O no hydrogen 2.947 N/A LYS 159.A NZ TYR 158.A O no hydrogen 3.558 N/A GLN 164.A N ASN 161.A OD1 no hydrogen 3.231 N/A LEU 165.A N ASN 161.A O no hydrogen 3.051 N/A ARG 166.A N TYR 162.A O no hydrogen 2.861 N/A ARG 166.A NH1 PRO 192.A O no hydrogen 2.869 N/A ARG 166.A NH1 ASP 195.A OD1 no hydrogen 2.784 N/A LYS 167.A N GLN 164.A O no hydrogen 3.089 N/A LYS 167.A NZ GLN 164.A OE1 no hydrogen 3.119 N/A LEU 168.A N LEU 165.A O no hydrogen 3.037 N/A TRP 171.A N LEU 168.A O no hydrogen 3.453 N/A TRP 171.A NE1 SER 141.A OG no hydrogen 2.887 N/A LEU 172.A N ARG 143.A O no hydrogen 2.975 N/A GLY 173.A N ASP 144.A OD1 no hydrogen 2.923 N/A ILE 174.A N PHE 190.A O no hydrogen 3.028 N/A ILE 175.A N LEU 145.A O no hydrogen 2.750 N/A ILE 176.A N ARG 188.A O no hydrogen 3.066 N/A THR 177.A N LEU 147.A O no hydrogen 2.882 N/A THR 177.A OG1 VAL 186.A O no hydrogen 2.813 N/A ALA 178.A N VAL 186.A O no hydrogen 3.150 N/A GLY 180.A N ASP 184.A O no hydrogen 3.185 N/A SER 181.A N GLU 152.A OE2 no hydrogen 2.890 N/A SER 181.A OG GLU 152.A OE1 no hydrogen 2.767 N/A SER 181.A OG GLU 152.A OE2 no hydrogen 3.177 N/A THR 183.A OG1 PHE 185.A O no hydrogen 3.096 N/A ASP 184.A N VAL 222.A O.A no hydrogen 2.901 N/A ASP 184.A N VAL 222.A O.B no hydrogen 2.839 N/A VAL 186.A N ALA 178.A O no hydrogen 2.872 N/A SER 187.A N ALA 224.A O no hydrogen 3.046 N/A ARG 188.A N ILE 176.A O no hydrogen 3.104 N/A ARG 188.A NE GLU 197.A OE2 no hydrogen 2.843 N/A ARG 188.A NH1 VAL 155.A O no hydrogen 2.760 N/A ARG 188.A NH1 TYR 158.A O no hydrogen 2.796 N/A ARG 188.A NH2 TYR 158.A O no hydrogen 3.497 N/A ARG 188.A NH2 GLU 197.A OE1 no hydrogen 2.961 N/A TYR 189.A OH ASP 144.A OD1 no hydrogen 2.672 N/A PHE 190.A N ILE 174.A O no hydrogen 2.870 N/A CYS 191.A N SER 196.A O no hydrogen 2.873 N/A LEU 194.A N CYS 191.A O no hydrogen 3.174 N/A ASP 195.A N PRO 192.A O no hydrogen 3.235 N/A SER 196.A N CYS 191.A O no hydrogen 3.252 N/A ASP 198.A N TYR 189.A O no hydrogen 2.859 N/A THR 201.A N GLN 225.A OE1 no hydrogen 2.850 N/A THR 201.A OG1 ASP 198.A OD2 no hydrogen 2.638 N/A SER 204.A OG THR 201.A O no hydrogen 3.081 N/A SER 204.A OG HIS 205.A ND1 no hydrogen 3.312 N/A HIS 205.A N GLY 202.A O no hydrogen 2.998 N/A HIS 205.A ND1 THR 201.A O no hydrogen 2.829 N/A CYS 206.A N SER 203.A O no hydrogen 3.019 N/A CYS 206.A SG PRO 115.A O no hydrogen 3.451 N/A ASN 207.A N SER 204.A O no hydrogen 3.060 N/A ASN 207.A ND2 ILE 117.A O no hydrogen 2.925 N/A ASN 207.A ND2 SER 142.A OG.A no hydrogen 2.945 N/A LEU 208.A N SER 204.A O no hydrogen 3.001 N/A ILE 209.A N HIS 205.A O no hydrogen 3.012 N/A TYR 211.A N ASN 207.A O no hydrogen 3.217 N/A TRP 212.A N LEU 208.A O no hydrogen 2.877 N/A TRP 212.A NE1 THR 177.A OG1 no hydrogen 2.949 N/A SER 213.A N ILE 209.A O no hydrogen 2.768 N/A SER 213.A OG LYS 218.A O no hydrogen 2.785 N/A GLU 214.A N.A PRO 210.A O no hydrogen 3.179 N/A GLU 214.A N.B PRO 210.A O no hydrogen 3.176 N/A LYS 215.A N TYR 211.A O no hydrogen 3.273 N/A LEU 216.A N TRP 212.A O no hydrogen 2.828 N/A LYS 218.A N SER 213.A O no hydrogen 3.232 N/A LYS 218.A NZ ASP 184.A OD1 no hydrogen 2.637 N/A MET 221.A N CYS 235.A O no hydrogen 2.882 N/A VAL 222.A N.A ASP 184.A OD2 no hydrogen 2.796 N/A VAL 222.A N.B ASP 184.A OD2 no hydrogen 2.785 N/A ALA 223.A N ILE 233.A O no hydrogen 2.924 N/A ALA 224.A N PHE 185.A O no hydrogen 3.135 N/A GLN 225.A N GLY 231.A O no hydrogen 2.854 N/A GLN 225.A NE2 ASP 198.A O no hydrogen 2.937 N/A GLN 225.A NE2 THR 201.A OG1 no hydrogen 2.985 N/A LEU 226.A N SER 187.A O no hydrogen 2.881 N/A SER 227.A OG PRO 199.A O no hydrogen 2.659 N/A ARG 229.A NE GLY 17.A O no hydrogen 2.777 N/A ARG 229.A NH2 LYS 16.A O no hydrogen 2.929 N/A GLY 230.A N SER 227.A OG no hydrogen 2.904 N/A GLY 231.A N GLN 225.A O no hydrogen 2.935 N/A ILE 232.A N PHE 10.A O no hydrogen 3.497 N/A ILE 233.A N ALA 223.A O no hydrogen 2.884 N/A GLN 234.A N SER 246.A O no hydrogen 2.912 N/A CYS 235.A N MET 221.A O no hydrogen 2.911 N/A CYS 235.A SG ILE 233.A O no hydrogen 3.662 N/A GLU 236.A N.A LYS 244.A O no hydrogen 3.039 N/A GLU 236.A N.B LYS 244.A O no hydrogen 3.021 N/A VAL 237.A N HIS 219.A O no hydrogen 2.792 N/A LEU 238.A N THR 242.A O no hydrogen 2.944 N/A THR 242.A OG1 ASP 240.A OD1 no hydrogen 2.727 N/A VAL 243.A N PHE 114.A O.A no hydrogen 2.875 N/A VAL 243.A N PHE 114.A O.B no hydrogen 2.894 N/A LYS 244.A N GLU 236.A O.A no hydrogen 2.748 N/A LYS 244.A N GLU 236.A O.B no hydrogen 2.834 N/A LYS 244.A NZ GLU 111.A OE1 no hydrogen 3.399 N/A LYS 244.A NZ GLU 111.A OE2 no hydrogen 3.280 N/A ILE 245.A N MET 112.A O no hydrogen 2.871 N/A SER 246.A N GLN 234.A O no hydrogen 2.870 N/A GLY 247.A N TYR 110.A O no hydrogen 3.113 N/A VAL 250.A N ASP 8.A O no hydrogen 2.979 N/A PHE 252.A N ILE 6.A O no hydrogen 2.823 N/A MET 253.A N ILE 6.A O no hydrogen 3.406 N/A GLY 255.A N TYR 4.A O no hydrogen 2.759 N/A ILE 257.A N MET 2.A O no hydrogen 2.917 N/A LYS 258.A NZ.B LYS 258.A O.B no hydrogen 3.405 N/A