Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dfa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLU 243.A O no hydrogen 2.831 N/A ASP 4.A N ASP 218.A O no hydrogen 3.263 N/A LEU 5.A N SER 29.A OG no hydrogen 2.954 N/A ASN 6.A N LEU 220.A O no hydrogen 2.913 N/A ASN 6.A ND2 GLU 163.A OE2 no hydrogen 3.156 N/A ASN 6.A ND2 THR 219.A OG1 no hydrogen 2.843 N/A ALA 7.A N SER 30.A O no hydrogen 3.308 N/A ALA 9.A N ASN 32.A O no hydrogen 2.966 N/A GLY 10.A N ASP 21.A OD2 no hydrogen 2.807 N/A SER 12.A OG TYR 18.A O no hydrogen 3.234 N/A TYR 13.A N PHE 16.A O no hydrogen 2.916 N/A GLY 14.A N SER 41.A OG no hydrogen 2.842 N/A PHE 16.A N TYR 13.A O no hydrogen 2.806 N/A TYR 18.A N SER 12.A OG no hydrogen 2.737 N/A GLU 23.A N HIS 20.A O no hydrogen 2.918 N/A ILE 24.A N HIS 20.A O no hydrogen 2.898 N/A PHE 25.A N ASP 21.A O no hydrogen 2.910 N/A LEU 27.A N ILE 24.A O no hydrogen 2.873 N/A VAL 28.A N ILE 24.A O no hydrogen 3.257 N/A SER 29.A N LEU 5.A O no hydrogen 2.876 N/A SER 29.A OG ASP 4.A OD2 no hydrogen 2.671 N/A SER 29.A OG LEU 5.A O no hydrogen 3.338 N/A SER 30.A N LEU 5.A O no hydrogen 3.060 N/A SER 30.A OG.A ASP 4.A OD2 no hydrogen 2.620 N/A SER 30.A OG.B ASP 4.A OD1 no hydrogen 2.583 N/A SER 30.A OG.B ASP 4.A OD2 no hydrogen 3.016 N/A SER 30.A OG.B LEU 5.A O no hydrogen 3.561 N/A ALA 31.A N ALA 58.A O no hydrogen 2.802 N/A ASN 32.A N ALA 7.A O no hydrogen 2.977 N/A ASN 32.A ND2 ASN 6.A OD1 no hydrogen 2.915 N/A ASN 32.A ND2 ASP 8.A OD1 no hydrogen 2.877 N/A LEU 33.A N GLY 60.A O no hydrogen 2.909 N/A ALA 34.A N ALA 9.A O no hydrogen 3.290 N/A CYS 35.A SG LEU 33.A O no hydrogen 3.448 N/A CYS 35.A SG GLN 90.A O no hydrogen 3.606 N/A GLY 36.A N GLY 39.A O no hydrogen 2.744 N/A HIS 38.A NE2 GLU 11.A OE2 no hydrogen 3.123 N/A GLY 40.A N GLU 11.A O no hydrogen 3.345 N/A SER 41.A N SER 12.A O no hydrogen 3.345 N/A ARG 44.A NE GLY 14.A O no hydrogen 2.823 N/A ARG 44.A NH1 GLU 47.A OE1 no hydrogen 3.150 N/A ARG 44.A NH2 GLY 14.A O no hydrogen 2.898 N/A ILE 45.A N SER 41.A O no hydrogen 2.889 N/A LEU 46.A N PRO 42.A O no hydrogen 3.022 N/A GLU 47.A N GLY 43.A O no hydrogen 2.991 N/A ALA 48.A N ARG 44.A O no hydrogen 2.950 N/A VAL 49.A N ILE 45.A O no hydrogen 2.868 N/A ARG 50.A N LEU 46.A O no hydrogen 3.002 N/A ARG 50.A NE GLU 101.A OE2 no hydrogen 3.334 N/A LEU 51.A N GLU 47.A O no hydrogen 2.978 N/A ALA 52.A N ALA 48.A O no hydrogen 2.907 N/A LYS 53.A N VAL 49.A O no hydrogen 2.965 N/A LYS 53.A NZ GLU 101.A O no hydrogen 2.877 N/A LYS 53.A NZ GLU 101.A OE1 no hydrogen 3.359 N/A ALA 54.A N ARG 50.A O no hydrogen 2.935 N/A HIS 55.A N LEU 51.A O no hydrogen 3.006 N/A HIS 55.A ND1 LEU 51.A O no hydrogen 3.058 N/A GLY 56.A N LYS 53.A O no hydrogen 3.160 N/A VAL 57.A N ALA 52.A O no hydrogen 2.823 N/A ALA 58.A N SER 29.A O no hydrogen 2.960 N/A GLY 60.A N ALA 31.A O no hydrogen 2.867 N/A ALA 61.A N HIS 107.A O no hydrogen 2.853 N/A HIS 62.A N LEU 33.A O no hydrogen 2.852 N/A HIS 62.A ND1 LYS 109.A O no hydrogen 2.774 N/A GLY 64.A N GLN 90.A OE1 no hydrogen 2.955 N/A ASP 67.A N PHE 65.A O no hydrogen 2.841 N/A GLY 70.A N ASP 67.A OD1 no hydrogen 3.085 N/A PHE 71.A N LEU 68.A O no hydrogen 2.846 N/A GLY 72.A N ASP 67.A O no hydrogen 2.879 N/A ARG 73.A N GLY 70.A O no hydrogen 3.031 N/A ARG 74.A NE ASP 67.A OD2 no hydrogen 2.811 N/A ARG 74.A NH2 ASP 67.A OD1 no hydrogen 2.790 N/A ARG 74.A NH2 ASP 67.A OD2 no hydrogen 3.322 N/A LEU 78.A N MET 76.A O no hydrogen 2.762 N/A SER 79.A N GLU 82.A OE1 no hydrogen 2.853 N/A SER 79.A OG GLU 81.A OE1 no hydrogen 3.406 N/A GLU 82.A N SER 79.A OG no hydrogen 3.139 N/A VAL 83.A N SER 79.A O no hydrogen 2.975 N/A TYR 84.A N PRO 80.A O no hydrogen 2.938 N/A ALA 85.A N GLU 81.A O no hydrogen 3.104 N/A ASP 86.A N GLU 82.A O no hydrogen 2.922 N/A VAL 87.A N VAL 83.A O no hydrogen 2.911 N/A LEU 88.A N TYR 84.A O no hydrogen 3.035 N/A TYR 89.A N ALA 85.A O no hydrogen 2.970 N/A GLN 90.A N ASP 86.A O no hydrogen 3.085 N/A GLN 90.A NE2 GLY 64.A O no hydrogen 2.911 N/A GLN 90.A NE2 ASP 86.A O no hydrogen 3.154 N/A ILE 91.A N VAL 87.A O no hydrogen 2.920 N/A GLY 92.A N LEU 88.A O no hydrogen 2.914 N/A ALA 93.A N TYR 89.A O no hydrogen 3.020 N/A LEU 94.A N GLN 90.A O no hydrogen 3.122 N/A SER 95.A N ILE 91.A O no hydrogen 2.971 N/A SER 95.A OG.A GLY 92.A O no hydrogen 2.607 N/A SER 95.A OG.B ILE 91.A O no hydrogen 2.990 N/A ALA 96.A N GLY 92.A O no hydrogen 3.244 N/A ALA 96.A N ALA 93.A O no hydrogen 3.278 N/A PHE 97.A N LEU 94.A O no hydrogen 3.012 N/A LEU 98.A N LEU 94.A O no hydrogen 3.220 N/A LYS 99.A N SER 95.A O no hydrogen 2.894 N/A ALA 100.A N ALA 96.A O no hydrogen 3.024 N/A GLU 101.A N PHE 97.A O no hydrogen 3.100 N/A GLY 102.A N LYS 99.A O no hydrogen 3.103 N/A LEU 103.A N LEU 98.A O no hydrogen 2.739 N/A HIS 106.A N VAL 59.A O no hydrogen 2.749 N/A HIS 106.A ND1 HIS 107.A ND1 no hydrogen 2.782 N/A HIS 106.A NE2 PHE 247.A OXT no hydrogen 2.628 N/A HIS 107.A ND1 HIS 106.A ND1 no hydrogen 2.782 N/A HIS 107.A NE2 ASN 32.A OD1 no hydrogen 2.815 N/A VAL 108.A N PRO 140.A O no hydrogen 3.184 N/A LYS 109.A N ALA 61.A O no hydrogen 2.816 N/A LYS 109.A NZ ASN 6.A OD1 no hydrogen 3.147 N/A LYS 109.A NZ GLU 163.A OE2 no hydrogen 2.852 N/A HIS 111.A N PRO 63.A O no hydrogen 2.720 N/A HIS 111.A ND1 HIS 62.A NE2 no hydrogen 3.234 N/A HIS 111.A NE2 PHE 71.A O no hydrogen 2.838 N/A ALA 113.A N GLY 72.A O no hydrogen 3.004 N/A LEU 114.A N HIS 111.A O no hydrogen 3.104 N/A TYR 115.A N HIS 111.A O no hydrogen 3.344 N/A LEU 116.A N GLY 112.A O no hydrogen 3.067 N/A LYS 117.A N ALA 113.A O no hydrogen 2.782 N/A LYS 117.A NZ GLU 75.A OE2 no hydrogen 2.741 N/A ALA 118.A N LEU 114.A O no hydrogen 2.888 N/A CYS 119.A N TYR 115.A O no hydrogen 2.987 N/A CYS 119.A SG TYR 115.A O no hydrogen 3.389 N/A ARG 120.A N LYS 117.A O no hydrogen 3.292 N/A ARG 120.A NH2 GLU 75.A OE1 no hydrogen 3.526 N/A ARG 122.A NH1 GLU 151.A OE1 no hydrogen 3.140 N/A ARG 122.A NH1 GLU 152.A OE2 no hydrogen 2.742 N/A ARG 122.A NH2 GLU 151.A OE1 no hydrogen 2.746 N/A THR 124.A N ASP 121.A OD2 no hydrogen 3.080 N/A THR 124.A OG1 ASP 121.A OD2 no hydrogen 2.623 N/A ALA 125.A N ASP 121.A O no hydrogen 2.952 N/A ARG 126.A N ARG 122.A O no hydrogen 2.838 N/A ALA 127.A N GLU 123.A O no hydrogen 3.004 N/A ILE 128.A N THR 124.A O no hydrogen 3.051 N/A ALA 129.A N ALA 125.A O no hydrogen 3.041 N/A LEU 130.A N ARG 126.A O no hydrogen 2.852 N/A ALA 131.A N ALA 127.A O no hydrogen 3.043 N/A VAL 132.A N ILE 128.A O no hydrogen 3.013 N/A LYS 133.A N ALA 129.A O no hydrogen 2.894 N/A LYS 133.A NZ ALA 156.A O no hydrogen 2.742 N/A ALA 134.A N LEU 130.A O no hydrogen 2.776 N/A PHE 135.A N ALA 131.A O no hydrogen 3.125 N/A PHE 135.A N VAL 132.A O no hydrogen 3.255 N/A ASP 136.A N VAL 132.A O no hydrogen 3.016 N/A GLY 138.A N ASP 136.A OD1 no hydrogen 2.805 N/A LEU 139.A N ASP 136.A O no hydrogen 2.897 N/A LEU 141.A N ARG 159.A O no hydrogen 3.002 N/A VAL 142.A N VAL 108.A O no hydrogen 2.972 N/A VAL 143.A N VAL 161.A O no hydrogen 2.904 N/A GLY 146.A N GLU 150.A OE1 no hydrogen 2.840 N/A THR 147.A OG1 LEU 144.A O no hydrogen 2.712 N/A TYR 149.A OH VAL 142.A O no hydrogen 3.158 N/A GLU 150.A N THR 147.A OG1 no hydrogen 3.210 N/A GLU 151.A N THR 147.A O no hydrogen 3.166 N/A GLU 152.A N VAL 148.A O no hydrogen 2.901 N/A ALA 153.A N TYR 149.A O no hydrogen 3.123 N/A ARG 154.A N GLU 150.A O no hydrogen 3.035 N/A ARG 154.A NE GLU 150.A OE2 no hydrogen 2.793 N/A ARG 154.A NH2 GLU 150.A OE2 no hydrogen 3.111 N/A LYS 155.A N GLU 151.A O no hydrogen 2.864 N/A LYS 155.A NZ GLU 152.A OE2 no hydrogen 3.273 N/A ALA 156.A N GLU 152.A O no hydrogen 2.877 N/A GLY 157.A N ARG 154.A O no hydrogen 2.917 N/A LEU 158.A N ALA 153.A O no hydrogen 3.193 N/A ARG 159.A NH2 PHE 247.A O no hydrogen 2.931 N/A VAL 161.A N LEU 141.A O no hydrogen 2.885 N/A LEU 162.A N ASP 218.A OD2 no hydrogen 2.812 N/A GLU 163.A N VAL 143.A O no hydrogen 3.081 N/A ALA 164.A N THR 219.A O no hydrogen 2.953 N/A PHE 165.A N TYR 170.A OH no hydrogen 2.905 N/A ARG 168.A N PHE 165.A O no hydrogen 3.071 N/A ARG 168.A NH2 ALA 177.A O no hydrogen 2.957 N/A ALA 169.A N SER 184.A O no hydrogen 2.735 N/A LEU 171.A N GLN 175.A O no hydrogen 2.997 N/A ARG 172.A N ASP 209.A OD1 no hydrogen 2.744 N/A ARG 172.A N ASP 209.A OD2 no hydrogen 3.401 N/A ARG 172.A NH1 GLY 210.A O no hydrogen 2.842 N/A GLY 174.A N LEU 171.A O no hydrogen 2.772 N/A GLN 175.A N SER 173.A OG no hydrogen 3.400 N/A ALA 177.A N ALA 169.A O no hydrogen 2.854 N/A MET 181.A N PRO 178.A O no hydrogen 3.041 N/A SER 184.A N MET 181.A O no hydrogen 2.665 N/A SER 184.A OG ALA 177.A O no hydrogen 3.079 N/A SER 184.A OG PRO 178.A O no hydrogen 2.609 N/A ILE 186.A N GLU 167.A O no hydrogen 2.671 N/A GLU 190.A N ASP 188.A OD1 no hydrogen 3.288 N/A GLU 191.A N ASP 188.A OD2 no hydrogen 3.038 N/A ALA 192.A N ASP 188.A O no hydrogen 2.905 N/A ALA 193.A N PRO 189.A O no hydrogen 2.772 N/A ARG 194.A N GLU 190.A O no hydrogen 2.860 N/A ARG 195.A N GLU 191.A O no hydrogen 2.652 N/A ARG 195.A NE PRO 166.A O no hydrogen 3.163 N/A ARG 195.A NH2 ARG 168.A O no hydrogen 2.996 N/A ALA 196.A N ALA 192.A O no hydrogen 2.751 N/A LEU 197.A N ALA 193.A O no hydrogen 2.958 N/A ARG 198.A N ARG 194.A O no hydrogen 3.143 N/A ARG 198.A NE GLU 202.A OE1 no hydrogen 2.644 N/A ARG 198.A NH1 GLU 212.A OE1 no hydrogen 3.309 N/A ARG 198.A NH2 GLU 202.A OE1 no hydrogen 3.262 N/A ARG 198.A NH2 GLU 212.A OE1 no hydrogen 2.544 N/A ARG 198.A NH2 GLU 212.A OE2 no hydrogen 3.418 N/A MET 199.A N ARG 195.A O no hydrogen 2.864 N/A VAL 200.A N ALA 196.A O no hydrogen 3.029 N/A LEU 201.A N LEU 197.A O no hydrogen 2.663 N/A GLU 202.A N ARG 198.A O no hydrogen 2.725 N/A VAL 205.A N VAL 213.A O no hydrogen 2.932 N/A ALA 207.A N GLY 211.A O no hydrogen 2.746 N/A LEU 208.A N TYR 170.A O no hydrogen 2.691 N/A GLY 210.A N ALA 207.A O no hydrogen 3.233 N/A VAL 213.A N VAL 205.A O no hydrogen 2.898 N/A VAL 215.A N GLY 203.A O no hydrogen 2.847 N/A ASP 218.A N LEU 162.A O no hydrogen 2.859 N/A THR 219.A N LEU 162.A O no hydrogen 3.128 N/A THR 219.A OG1 ASP 4.A O no hydrogen 3.273 N/A THR 219.A OG1 ASP 4.A OD1 no hydrogen 2.639 N/A LEU 220.A N ASP 4.A O no hydrogen 2.751 N/A CYS 221.A N ALA 164.A O no hydrogen 2.950 N/A ILE 222.A N ASN 6.A O no hydrogen 2.871 N/A HIS 223.A N GLU 167.A OE2 no hydrogen 2.711 N/A VAL 229.A N ASN 225.A O no hydrogen 3.223 N/A ALA 230.A N ALA 226.A O no hydrogen 2.773 N/A ARG 231.A N PRO 227.A O no hydrogen 2.785 N/A ALA 232.A N GLU 228.A O no hydrogen 2.862 N/A VAL 233.A N VAL 229.A O no hydrogen 2.825 N/A ARG 234.A N ALA 230.A O no hydrogen 2.943 N/A ARG 234.A NH1 LEU 27.A O no hydrogen 2.784 N/A GLU 235.A N ARG 231.A O no hydrogen 3.009 N/A ALA 236.A N ALA 232.A O no hydrogen 3.047 N/A LEU 237.A N VAL 233.A O no hydrogen 3.095 N/A GLU 238.A N ARG 234.A O no hydrogen 2.894 N/A GLN 239.A N GLU 235.A O no hydrogen 2.743 N/A GLN 239.A NE2 GLU 235.A O no hydrogen 3.471 N/A ALA 240.A N LEU 237.A O no hydrogen 3.223 N/A GLY 241.A N GLU 238.A O no hydrogen 2.948 N/A VAL 242.A N LEU 237.A O no hydrogen 2.770 N/A GLU 243.A N MET 1.A O no hydrogen 2.791 N/A ARG 245.A N VAL 3.A O no hydrogen 2.971 N/A