Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u47_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N ASN 11.A O no hydrogen 2.965 N/A GLY 8.A N ASN 11.A OD1 no hydrogen 2.869 N/A ASN 11.A ND2 HIS 4.A O no hydrogen 3.151 N/A HIS 15.A N GLY 12.A O no hydrogen 2.775 N/A TRP 16.A N PRO 13.A O no hydrogen 3.335 N/A TRP 16.A NE1 GLY 6.A O no hydrogen 3.147 N/A TRP 16.A NE1 ASN 11.A O no hydrogen 3.120 N/A LYS 18.A N HIS 15.A O no hydrogen 3.131 N/A LYS 18.A NZ HIS 15.A ND1 no hydrogen 2.916 N/A ASP 19.A N TRP 16.A O no hydrogen 3.157 N/A PHE 20.A N TRP 16.A O no hydrogen 2.862 N/A ALA 23.A N PHE 20.A O no hydrogen 2.861 N/A LYS 24.A N PRO 21.A O no hydrogen 3.139 N/A GLY 25.A N ILE 22.A O no hydrogen 2.797 N/A ARG 27.A N GLU 205.A OE2 no hydrogen 2.978 N/A ARG 27.A NE GLY 196.A O no hydrogen 2.978 N/A ARG 27.A NH2 PRO 138.A O no hydrogen 3.227 N/A ARG 27.A NH2 GLY 196.A O no hydrogen 3.105 N/A ARG 27.A NH2 VAL 207.A O no hydrogen 3.021 N/A GLN 28.A NE2 LEU 203.A O no hydrogen 3.117 N/A GLN 28.A NE2 GLU 205.A OE2 no hydrogen 3.027 N/A SER 29.A N SER 197.A OG no hydrogen 2.852 N/A SER 29.A OG TYR 194.A OH no hydrogen 2.772 N/A ILE 33.A N THR 108.A O no hydrogen 2.781 N/A THR 35.A N ASP 110.A OD1 no hydrogen 2.800 N/A THR 35.A OG1 ASP 110.A OD1 no hydrogen 3.364 N/A THR 35.A OG1 ASP 110.A OD2 no hydrogen 2.685 N/A THR 37.A N ASP 34.A O no hydrogen 3.069 N/A THR 37.A OG1 ASP 34.A OD1 no hydrogen 2.862 N/A ALA 38.A N ASP 34.A O no hydrogen 3.048 N/A LYS 39.A N ILE 256.A O no hydrogen 3.300 N/A ASP 41.A N ALA 258.A O no hydrogen 2.939 N/A SER 43.A N ASP 41.A OD1 no hydrogen 2.976 N/A SER 43.A OG ASP 41.A OD1 no hydrogen 2.531 N/A SER 43.A OG ASP 41.A OD2 no hydrogen 3.344 N/A LEU 44.A N ASP 41.A O no hydrogen 2.979 N/A LYS 45.A N GLY 82.A O no hydrogen 3.444 N/A SER 48.A N LYS 80.A O no hydrogen 2.860 N/A SER 50.A N VAL 78.A O no hydrogen 2.972 N/A TYR 51.A OH HIS 122.A NE2 no hydrogen 2.739 N/A ALA 54.A N TYR 51.A O no hydrogen 2.965 N/A SER 56.A OG PHE 176.A O no hydrogen 2.752 N/A LEU 57.A N GLU 69.A O no hydrogen 2.831 N/A ARG 58.A NE GLU 69.A OE2 no hydrogen 2.801 N/A ARG 58.A NH1 GLU 69.A OE1 no hydrogen 2.844 N/A ARG 58.A NH1 GLU 69.A OE2 no hydrogen 3.343 N/A ILE 59.A N ALA 174.A O no hydrogen 2.953 N/A LEU 60.A N ASN 67.A O no hydrogen 2.922 N/A ASN 61.A N LYS 172.A O no hydrogen 2.950 N/A ASN 61.A ND2 ILE 167.A O no hydrogen 3.079 N/A ASN 61.A ND2 ASN 230.A O no hydrogen 3.197 N/A ASN 62.A N ALA 65.A O no hydrogen 3.129 N/A GLY 63.A N ASN 61.A OD1 no hydrogen 2.885 N/A HIS 64.A N ASN 62.A OD1 no hydrogen 2.950 N/A ALA 65.A N ASN 62.A OD1 no hydrogen 2.945 N/A ASN 67.A N LEU 60.A O no hydrogen 2.829 N/A VAL 68.A N PHE 93.A O no hydrogen 2.877 N/A GLU 69.A N ARG 58.A O no hydrogen 2.760 N/A PHE 70.A N ILE 91.A O no hydrogen 2.948 N/A ASP 71.A N THR 55.A O no hydrogen 2.900 N/A SER 73.A N ASP 71.A OD1 no hydrogen 3.033 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.773 N/A LYS 76.A NZ ASP 71.A OD2 no hydrogen 3.043 N/A VAL 78.A N SER 50.A O no hydrogen 3.070 N/A LEU 79.A N TYR 88.A O no hydrogen 2.804 N/A LYS 80.A N SER 48.A O no hydrogen 2.938 N/A GLY 82.A N PRO 46.A O no hydrogen 3.080 N/A LEU 84.A N GLY 81.A O no hydrogen 2.864 N/A TYR 88.A N LEU 79.A O no hydrogen 3.063 N/A TYR 88.A OH ASP 139.A O no hydrogen 3.012 N/A ARG 89.A N TRP 123.A O no hydrogen 2.811 N/A ARG 89.A NE ASP 75.A OD2 no hydrogen 2.976 N/A ARG 89.A NH1 ASP 72.A O no hydrogen 3.022 N/A ARG 89.A NH2 ASP 75.A OD2 no hydrogen 2.925 N/A LEU 90.A N ALA 77.A O no hydrogen 2.867 N/A ILE 91.A N VAL 121.A O no hydrogen 2.922 N/A PHE 93.A N VAL 68.A O no hydrogen 3.002 N/A HIS 94.A N HIS 119.A O no hydrogen 3.045 N/A HIS 94.A ND1 GLN 92.A OE1 no hydrogen 2.840 N/A HIS 96.A N GLU 117.A O no hydrogen 2.890 N/A HIS 96.A ND1 ASN 244.A O no hydrogen 2.762 N/A TRP 97.A N ASN 244.A OD1 no hydrogen 2.842 N/A TRP 97.A NE1 MET 241.A O no hydrogen 2.829 N/A SER 99.A N ASP 243.A OD1 no hydrogen 3.022 N/A SER 99.A OG ASP 243.A OD1 no hydrogen 3.510 N/A SER 99.A OG ASP 243.A OD2 no hydrogen 2.663 N/A GLN 103.A N LEU 100.A O no hydrogen 3.330 N/A GLN 103.A NE2 ASP 243.A OD1 no hydrogen 2.803 N/A GLN 103.A NE2 ASP 243.A OD2 no hydrogen 3.385 N/A SER 105.A N TYR 114.A O no hydrogen 2.975 N/A SER 105.A OG HIS 107.A O no hydrogen 2.848 N/A GLU 106.A N GLU 117.A OE1 no hydrogen 2.839 N/A HIS 107.A N GLU 117.A OE1 no hydrogen 2.797 N/A HIS 107.A ND1 GLU 117.A OE2 no hydrogen 2.793 N/A HIS 107.A NE2 TYR 194.A OH no hydrogen 2.656 N/A THR 108.A N VAL 31.A O no hydrogen 3.452 N/A THR 108.A OG1 ASP 32.A OD1 no hydrogen 2.691 N/A VAL 109.A N LYS 112.A O no hydrogen 3.068 N/A ASP 110.A N ILE 33.A O no hydrogen 2.851 N/A LYS 111.A N ASP 32.A OD1 no hydrogen 2.700 N/A LYS 112.A N VAL 109.A O no hydrogen 2.876 N/A TYR 114.A N SER 105.A OG no hydrogen 2.895 N/A ALA 115.A N LEU 148.A O no hydrogen 3.103 N/A ALA 116.A N LEU 148.A O no hydrogen 3.383 N/A GLU 117.A N HIS 96.A O no hydrogen 2.872 N/A LEU 118.A N ILE 146.A O no hydrogen 2.773 N/A HIS 119.A N HIS 94.A O no hydrogen 2.831 N/A HIS 119.A NE2 GLU 117.A OE2 no hydrogen 2.628 N/A LEU 120.A N LEU 144.A O no hydrogen 2.899 N/A VAL 121.A N GLN 92.A O no hydrogen 2.852 N/A HIS 122.A N ALA 142.A O no hydrogen 3.008 N/A HIS 122.A ND1 ALA 142.A O no hydrogen 2.976 N/A HIS 122.A NE2 TYR 51.A OH no hydrogen 2.739 N/A TRP 123.A N ARG 89.A O no hydrogen 2.967 N/A TRP 123.A NE1 ASP 72.A OD2 no hydrogen 2.818 N/A ASN 124.A N GLY 140.A O no hydrogen 2.814 N/A ASN 124.A ND2 ASP 139.A O no hydrogen 3.107 N/A THR 125.A N THR 87.A O no hydrogen 2.988 N/A THR 125.A OG1 THR 87.A O no hydrogen 3.224 N/A LYS 127.A N ASN 124.A OD1 no hydrogen 3.098 N/A TYR 128.A N ASN 124.A O no hydrogen 3.030 N/A TYR 128.A OH ASP 139.A OD1 no hydrogen 2.620 N/A GLY 129.A N THR 125.A O no hydrogen 3.137 N/A ASP 130.A N TYR 128.A O no hydrogen 2.895 N/A LYS 133.A N ASP 130.A OD1 no hydrogen 2.805 N/A ALA 134.A N ASP 130.A O no hydrogen 2.984 N/A VAL 135.A N PHE 131.A O no hydrogen 3.053 N/A GLN 136.A N LYS 133.A O no hydrogen 3.152 N/A GLN 136.A NE2 GLY 132.A O no hydrogen 3.147 N/A GLN 137.A N ALA 134.A O no hydrogen 2.975 N/A GLY 140.A N GLN 137.A O no hydrogen 3.107 N/A LEU 141.A N CYS 206.A O no hydrogen 2.858 N/A ALA 142.A N HIS 122.A O no hydrogen 2.812 N/A LEU 143.A N THR 208.A O no hydrogen 3.104 N/A LEU 144.A N LEU 120.A O no hydrogen 2.968 N/A GLY 145.A N ILE 210.A O no hydrogen 2.820 N/A ILE 146.A N LEU 118.A O no hydrogen 2.883 N/A LEU 148.A N ALA 116.A O no hydrogen 2.905 N/A LYS 149.A N ILE 216.A O no hydrogen 2.998 N/A GLY 151.A N VAL 218.A O no hydrogen 2.712 N/A LYS 154.A N GLN 222.A OE1 no hydrogen 2.986 N/A LYS 154.A NZ LEU 185.A O no hydrogen 3.562 N/A LEU 157.A N LYS 154.A O no hydrogen 2.922 N/A GLN 158.A N PRO 155.A O no hydrogen 3.112 N/A GLN 158.A NE2 ASP 162.A OD1 no hydrogen 3.116 N/A GLN 158.A NE2 ASP 162.A OD2 no hydrogen 3.189 N/A VAL 161.A N LEU 157.A O no hydrogen 3.122 N/A ASP 162.A N GLN 158.A O no hydrogen 2.914 N/A VAL 163.A N VAL 160.A O no hydrogen 3.221 N/A LEU 164.A N VAL 161.A O no hydrogen 3.370 N/A SER 166.A N VAL 163.A O no hydrogen 2.989 N/A SER 166.A OG VAL 163.A O no hydrogen 2.673 N/A ILE 167.A N LEU 164.A O no hydrogen 3.033 N/A LYS 168.A NZ GLU 238.A OE2 no hydrogen 3.444 N/A LYS 170.A N ASN 232.A O no hydrogen 2.915 N/A GLY 171.A N ASN 61.A O no hydrogen 2.771 N/A LYS 172.A N THR 169.A O no hydrogen 3.084 N/A ALA 174.A N ILE 59.A O no hydrogen 2.945 N/A PHE 176.A N LEU 57.A O no hydrogen 2.923 N/A THR 177.A OG1 ASN 178.A OD1 no hydrogen 3.240 N/A PHE 179.A N SER 56.A OG no hydrogen 2.769 N/A ARG 182.A N ASP 180.A OD1 no hydrogen 2.990 N/A ARG 182.A NE ASP 180.A OD1 no hydrogen 3.062 N/A ARG 182.A NE ASP 180.A OD2 no hydrogen 3.087 N/A ARG 182.A NH2 ASP 180.A OD2 no hydrogen 2.792 N/A GLY 183.A N ASP 180.A O no hydrogen 3.174 N/A LEU 184.A N PRO 181.A O no hydrogen 2.897 N/A LEU 185.A N ARG 182.A O no hydrogen 3.329 N/A SER 188.A N GLU 214.A OE1 no hydrogen 2.872 N/A ASP 190.A N SER 188.A OG no hydrogen 3.192 N/A TYR 191.A N SER 259.A OG no hydrogen 2.936 N/A TYR 191.A OH LYS 45.A O no hydrogen 3.007 N/A TRP 192.A N VAL 211.A O no hydrogen 2.874 N/A THR 193.A N LYS 257.A O no hydrogen 2.806 N/A THR 193.A OG1 TRP 209.A O no hydrogen 2.703 N/A TYR 194.A N TRP 209.A O no hydrogen 3.241 N/A TYR 194.A OH SER 29.A OG no hydrogen 2.772 N/A TYR 194.A OH HIS 107.A NE2 no hydrogen 2.656 N/A GLY 196.A N VAL 207.A O no hydrogen 2.830 N/A SER 197.A N SER 29.A OG no hydrogen 2.927 N/A SER 197.A OG LEU 198.A O no hydrogen 2.815 N/A LEU 198.A N LEU 204.A O no hydrogen 2.928 N/A THR 199.A OG1 GLU 106.A OE1 no hydrogen 2.633 N/A THR 199.A OG1 GLU 106.A OE2 no hydrogen 3.458 N/A LEU 203.A N THR 200.A O no hydrogen 2.829 N/A CYS 206.A SG LEU 204.A O no hydrogen 3.722 N/A VAL 207.A N GLY 196.A O no hydrogen 3.280 N/A THR 208.A N LEU 141.A O no hydrogen 2.903 N/A TRP 209.A N TYR 194.A O no hydrogen 2.923 N/A TRP 209.A NE1 SER 197.A O no hydrogen 3.001 N/A ILE 210.A N LEU 143.A O no hydrogen 2.933 N/A VAL 211.A N TRP 192.A O no hydrogen 2.889 N/A LEU 212.A N GLY 145.A O no hydrogen 2.914 N/A LYS 213.A N ASP 190.A O no hydrogen 2.992 N/A LYS 213.A NZ ASP 190.A OD2 no hydrogen 3.280 N/A ILE 216.A N PHE 147.A O no hydrogen 2.825 N/A SER 217.A OG.B SER 152.A O no hydrogen 2.840 N/A VAL 218.A N LYS 149.A O no hydrogen 2.866 N/A SER 219.A N GLN 222.A OE1 no hydrogen 3.080 N/A SER 219.A OG GLU 221.A OE1 no hydrogen 3.480 N/A SER 220.A OG.A GLU 221.A OE1 no hydrogen 3.273 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.812 N/A GLN 222.A N SER 219.A OG no hydrogen 3.203 N/A GLN 222.A NE2 LYS 154.A O no hydrogen 2.972 N/A GLN 222.A NE2 GLN 158.A OE1 no hydrogen 2.900 N/A VAL 223.A N SER 219.A O no hydrogen 3.099 N/A LEU 224.A N SER 220.A O no hydrogen 2.884 N/A LYS 225.A N GLU 221.A O no hydrogen 3.308 N/A LYS 225.A N GLN 222.A O no hydrogen 3.150 N/A PHE 226.A N GLN 222.A O no hydrogen 3.459 N/A ARG 227.A N VAL 223.A O no hydrogen 3.237 N/A ARG 227.A NE GLY 98.A O no hydrogen 2.809 N/A ARG 227.A NH2 ASP 101.A OD1 no hydrogen 2.817 N/A LYS 228.A N LYS 225.A O no hydrogen 3.232 N/A LEU 229.A N PHE 226.A O no hydrogen 3.158 N/A ASN 230.A N LYS 168.A O no hydrogen 2.868 N/A ASN 230.A ND2 GLU 238.A OE2 no hydrogen 2.994 N/A PHE 231.A N GLU 239.A O no hydrogen 2.967 N/A ASN 232.A ND2 ASN 230.A OD1 no hydrogen 3.330 N/A ASN 232.A ND2 GLY 233.A O no hydrogen 3.030 N/A GLY 233.A N GLU 236.A OE1 no hydrogen 2.958 N/A GLU 236.A N GLY 233.A O no hydrogen 3.168 N/A GLU 239.A N ASN 232.A OD1 no hydrogen 2.756 N/A MET 241.A N LEU 229.A O no hydrogen 2.758 N/A ASN 244.A N TRP 97.A O no hydrogen 3.338 N/A ASN 244.A ND2 HIS 64.A O no hydrogen 2.867 N/A TRP 245.A NE1 ASP 243.A OD1 no hydrogen 3.018 N/A ARG 246.A N GLU 106.A OE2 no hydrogen 2.771 N/A ARG 246.A NH1 GLN 28.A OE1 no hydrogen 2.823 N/A ARG 246.A NH1 SER 29.A O no hydrogen 2.858 N/A ARG 246.A NH2 ALA 23.A O no hydrogen 3.224 N/A ARG 246.A NH2 GLN 28.A OE1 no hydrogen 3.407 N/A GLN 249.A N PRO 30.A O no hydrogen 2.796 N/A GLN 249.A NE2 PRO 247.A O no hydrogen 2.879 N/A LYS 252.A NZ GLY 25.A O no hydrogen 2.833 N/A LYS 252.A NZ GLU 26.A OE1 no hydrogen 3.400 N/A ARG 254.A NE LEU 251.A O no hydrogen 2.813 N/A ARG 254.A NH1 GLN 28.A O no hydrogen 3.025 N/A ARG 254.A NH1 PRO 195.A O no hydrogen 2.933 N/A ARG 254.A NH2 GLN 28.A O no hydrogen 2.843 N/A ARG 254.A NH2 PRO 250.A O no hydrogen 2.852 N/A ARG 254.A NH2 LEU 251.A O no hydrogen 3.531 N/A LYS 257.A N THR 193.A O no hydrogen 2.945 N/A ALA 258.A N LYS 39.A O no hydrogen 2.867 N/A SER 259.A N TYR 191.A O no hydrogen 2.882 N/A SER 259.A OG TYR 191.A O no hydrogen 3.364 N/A