Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLU 37.A OE2 no hydrogen 2.751 N/A TYR 4.A N GLU 37.A OE1 no hydrogen 2.599 N/A ILE 5.A N GLU 37.A OE1 no hydrogen 3.289 N/A ILE 6.A N GLN 20.A O no hydrogen 2.719 N/A GLU 8.A N LEU 18.A O no hydrogen 3.083 N/A LYS 9.A NZ ASP 48.A OD1 no hydrogen 3.551 N/A LYS 9.A NZ ASP 48.A OD2 no hydrogen 2.810 N/A LYS 10.A N VAL 16.A O no hydrogen 2.790 N/A LYS 12.A N GLU 191.A OE2 no hydrogen 2.904 N/A SER 14.A N GLY 11.A O no hydrogen 2.804 N/A SER 15.A N LYS 12.A O no hydrogen 3.233 N/A SER 15.A OG LYS 12.A O no hydrogen 2.646 N/A VAL 16.A N LYS 10.A O no hydrogen 3.138 N/A GLY 17.A N ALA 53.A O no hydrogen 2.923 N/A LEU 18.A N GLU 8.A O no hydrogen 2.917 N/A ILE 19.A N VAL 55.A O no hydrogen 2.861 N/A GLN 20.A N ILE 6.A O no hydrogen 2.717 N/A LEU 21.A N THR 57.A O no hydrogen 2.742 N/A ASN 22.A N TYR 4.A O no hydrogen 2.443 N/A ARG 23.A N ASN 28.A OD1 no hydrogen 3.086 N/A ARG 23.A NH1 ALA 29.A O no hydrogen 2.532 N/A ARG 23.A NH1 ASP 68.A OD2 no hydrogen 3.197 N/A ARG 23.A NH2 ASP 68.A OD2 no hydrogen 2.984 N/A ALA 26.A N ARG 23.A O no hydrogen 3.098 N/A LEU 27.A N PRO 24.A O no hydrogen 3.048 N/A ASN 28.A N ARG 23.A O no hydrogen 2.841 N/A ASN 28.A ND2 ALA 62.A O no hydrogen 2.761 N/A ASN 28.A ND2 PHE 63.A O no hydrogen 2.822 N/A ALA 29.A N ALA 26.A O no hydrogen 2.878 N/A LEU 30.A N GLY 66.A O no hydrogen 2.740 N/A CYS 31.A N ALA 29.A O no hydrogen 2.740 N/A ASN 32.A N GLU 71.A OE1 no hydrogen 3.009 N/A ASN 32.A ND2 GLU 36.A OE2 no hydrogen 3.344 N/A ILE 35.A N CYS 31.A O no hydrogen 3.084 N/A GLU 36.A N ASN 32.A O no hydrogen 3.103 N/A GLU 37.A N GLY 33.A O no hydrogen 3.149 N/A LEU 38.A N LEU 34.A O no hydrogen 2.832 N/A ASN 39.A N ILE 35.A O no hydrogen 2.990 N/A ASN 39.A ND2 HIS 83.A O no hydrogen 2.985 N/A GLN 40.A N GLU 36.A O no hydrogen 3.141 N/A ALA 41.A N GLU 37.A O no hydrogen 2.796 N/A LEU 42.A N LEU 38.A O no hydrogen 2.939 N/A GLU 43.A N ASN 39.A O no hydrogen 2.924 N/A THR 44.A N GLN 40.A O no hydrogen 2.864 N/A THR 44.A OG1 GLN 40.A O no hydrogen 3.210 N/A PHE 45.A N ALA 41.A O no hydrogen 2.948 N/A GLU 46.A N LEU 42.A O no hydrogen 2.816 N/A GLU 47.A N GLU 43.A O no hydrogen 2.981 N/A ASP 48.A N PHE 45.A O no hydrogen 3.298 N/A ALA 50.A N ASP 48.A OD1 no hydrogen 2.800 N/A VAL 51.A N ASP 48.A O no hydrogen 2.829 N/A GLY 52.A N SER 15.A O no hydrogen 2.740 N/A ILE 54.A N PRO 93.A O no hydrogen 2.907 N/A VAL 55.A N GLY 17.A O no hydrogen 2.784 N/A LEU 56.A N ILE 95.A O no hydrogen 2.716 N/A THR 57.A N ILE 19.A O no hydrogen 2.970 N/A THR 57.A OG1 ALA 97.A O no hydrogen 2.764 N/A GLY 59.A N ALA 62.A O no hydrogen 2.920 N/A PHE 63.A N TYR 101.A O no hydrogen 2.711 N/A ALA 64.A N TYR 101.A O no hydrogen 2.934 N/A ALA 65.A N LEU 27.A O no hydrogen 2.910 N/A GLU 71.A N ASP 68.A O no hydrogen 2.979 N/A GLU 71.A N ASP 68.A OD1 no hydrogen 3.194 N/A MET 72.A N ILE 69.A O no hydrogen 3.005 N/A GLN 73.A N ILE 69.A O no hydrogen 2.764 N/A ARG 75.A N MET 72.A O no hydrogen 2.819 N/A ARG 75.A NE ASP 79.A OD2 no hydrogen 2.964 N/A ARG 75.A NH1 GLU 71.A O no hydrogen 3.440 N/A ARG 75.A NH2 ASP 79.A OD2 no hydrogen 3.408 N/A THR 76.A N ASP 79.A OD2 no hydrogen 3.102 N/A GLN 78.A N GLN 78.A OE1 no hydrogen 3.150 N/A ASP 79.A N THR 76.A OG1 no hydrogen 3.027 N/A CYS 80.A N THR 76.A O no hydrogen 3.110 N/A CYS 80.A SG THR 76.A O no hydrogen 3.557 N/A TYR 81.A N GLN 78.A O no hydrogen 3.130 N/A SER 82.A OG GLN 78.A O no hydrogen 3.039 N/A SER 82.A OG TYR 81.A O no hydrogen 2.846 N/A THR 88.A N ASP 85.A O no hydrogen 3.384 N/A THR 88.A OG1 ASP 85.A O no hydrogen 2.579 N/A ARG 89.A N HIS 86.A O no hydrogen 2.748 N/A LYS 91.A N GLU 46.A OE2 no hydrogen 2.905 N/A LYS 92.A N GLU 46.A OE1 no hydrogen 3.203 N/A LYS 92.A NZ PHE 45.A O no hydrogen 3.067 N/A LYS 92.A NZ GLU 46.A O no hydrogen 3.080 N/A LYS 92.A NZ VAL 51.A O no hydrogen 2.612 N/A VAL 94.A N ASP 114.A OD2 no hydrogen 2.779 N/A ILE 95.A N ILE 54.A O no hydrogen 2.733 N/A ALA 96.A N ILE 115.A O no hydrogen 2.773 N/A ALA 97.A N LEU 56.A O no hydrogen 2.755 N/A VAL 98.A N TYR 117.A O no hydrogen 2.740 N/A ASN 99.A ND2 VAL 179.A O no hydrogen 3.043 N/A TYR 101.A N LYS 61.A O no hydrogen 3.141 N/A ALA 102.A N GLN 123.A O no hydrogen 2.937 N/A LEU 103.A N ALA 64.A O no hydrogen 3.052 N/A GLY 104.A N GLY 125.A O no hydrogen 2.886 N/A GLY 106.A N LEU 103.A O no hydrogen 2.783 N/A CYS 107.A SG GLN 126.A OE1 no hydrogen 3.387 N/A GLU 108.A N GLY 104.A O no hydrogen 2.943 N/A LEU 109.A N GLY 105.A O no hydrogen 2.869 N/A ALA 110.A N GLY 106.A O no hydrogen 3.179 N/A MET 111.A N CYS 107.A O no hydrogen 2.975 N/A MET 112.A N GLU 108.A O no hydrogen 2.999 N/A MET 112.A N LEU 109.A O no hydrogen 3.082 N/A CYS 113.A N ALA 110.A O no hydrogen 2.969 N/A CYS 113.A SG LEU 109.A O no hydrogen 3.576 N/A ASP 114.A N VAL 94.A O no hydrogen 2.966 N/A ILE 115.A N VAL 94.A O no hydrogen 3.417 N/A TYR 117.A N ALA 96.A O no hydrogen 2.798 N/A ALA 118.A N LYS 175.A O no hydrogen 2.878 N/A GLY 119.A N VAL 98.A O no hydrogen 2.710 N/A GLU 120.A N PHE 177.A O no hydrogen 2.786 N/A ALA 122.A N GLY 119.A O no hydrogen 2.929 N/A GLN 123.A N GLY 100.A O no hydrogen 2.818 N/A PHE 124.A N ILE 162.A O no hydrogen 3.017 N/A GLN 126.A NE2 GLY 104.A O no hydrogen 3.686 N/A GLN 126.A NE2 GLU 128.A OE1 no hydrogen 3.025 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.665 N/A LEU 130.A N PRO 127.A O no hydrogen 2.856 N/A LEU 131.A N GLU 128.A O no hydrogen 2.901 N/A GLY 132.A N ILE 129.A O no hydrogen 3.048 N/A THR 133.A N GLU 128.A O no hydrogen 3.089 N/A ALA 137.A N GLU 108.A OE2 no hydrogen 2.571 N/A GLY 139.A N GLU 108.A OE2 no hydrogen 2.820 N/A GLN 141.A N GLY 138.A O no hydrogen 3.041 N/A GLN 141.A NE2 THR 140.A OG1 no hydrogen 3.126 N/A ARG 142.A N GLY 138.A O no hydrogen 2.808 N/A THR 144.A OG1 THR 140.A O no hydrogen 2.565 N/A ARG 145.A N GLN 141.A O no hydrogen 3.118 N/A ARG 145.A NH1 GLN 141.A O no hydrogen 3.243 N/A ARG 145.A NH1 GLN 141.A OE1 no hydrogen 2.821 N/A ALA 146.A N ARG 142.A O no hydrogen 3.137 N/A ALA 146.A N LEU 143.A O no hydrogen 3.143 N/A VAL 147.A N LEU 143.A O no hydrogen 2.761 N/A GLY 148.A N THR 144.A O no hydrogen 2.750 N/A ALA 152.A N GLY 148.A O no hydrogen 3.095 N/A MET 153.A N LYS 149.A O no hydrogen 2.802 N/A GLU 154.A N SER 150.A O no hydrogen 3.041 N/A MET 155.A N LEU 151.A O no hydrogen 2.920 N/A VAL 156.A N ALA 152.A O no hydrogen 2.918 N/A LEU 157.A N MET 153.A O no hydrogen 2.900 N/A THR 158.A N GLU 154.A O no hydrogen 3.172 N/A THR 158.A OG1 GLU 154.A O no hydrogen 2.647 N/A GLY 159.A N MET 155.A O no hydrogen 2.772 N/A ASP 160.A N THR 158.A OG1 no hydrogen 3.071 N/A ILE 162.A N PHE 124.A O no hydrogen 2.811 N/A SER 163.A N ASP 166.A OD2 no hydrogen 3.195 N/A ASP 166.A N SER 163.A OG no hydrogen 3.088 N/A ALA 167.A N SER 163.A O no hydrogen 2.868 N/A LYS 168.A N ALA 164.A O no hydrogen 2.875 N/A LYS 168.A NZ SER 174.A O no hydrogen 3.396 N/A GLN 169.A N GLN 165.A O no hydrogen 2.961 N/A ALA 170.A N ASP 166.A O no hydrogen 2.897 N/A GLY 171.A N LYS 168.A O no hydrogen 2.973 N/A LEU 172.A N ALA 167.A O no hydrogen 2.703 N/A VAL 173.A N ALA 167.A O no hydrogen 3.298 N/A SER 174.A N ILE 116.A O no hydrogen 3.124 N/A LYS 175.A NZ SER 174.A O no hydrogen 3.323 N/A PHE 177.A N ALA 118.A O no hydrogen 2.880 N/A THR 181.A N PRO 178.A O no hydrogen 3.126 N/A LEU 182.A N PRO 178.A O no hydrogen 2.972 N/A GLU 185.A N THR 181.A O no hydrogen 2.851 N/A ALA 186.A N LEU 182.A O no hydrogen 2.930 N/A ILE 187.A N VAL 183.A O no hydrogen 3.027 N/A GLN 188.A N GLU 184.A O no hydrogen 2.977 N/A CYS 189.A N GLU 185.A O no hydrogen 3.119 N/A CYS 189.A SG TYR 117.A OH no hydrogen 2.967 N/A ALA 190.A N ALA 186.A O no hydrogen 2.982 N/A GLU 191.A N ILE 187.A O no hydrogen 2.822 N/A LYS 192.A N GLN 188.A O no hydrogen 3.127 N/A ILE 193.A N CYS 189.A O no hydrogen 3.164 N/A ALA 194.A N ALA 190.A O no hydrogen 2.884 N/A ASN 195.A N GLU 191.A O no hydrogen 2.900 N/A ASN 195.A N LYS 192.A O no hydrogen 3.036 N/A ASN 196.A N ILE 193.A O no hydrogen 3.142 N/A SER 197.A OG ASP 235.A OD2 no hydrogen 2.650 N/A LYS 198.A N ASP 253.A OD1 no hydrogen 2.919 N/A LYS 198.A NZ ASP 253.A OD2 no hydrogen 2.850 N/A VAL 201.A N SER 197.A O no hydrogen 2.843 N/A ALA 202.A N LYS 198.A O no hydrogen 2.954 N/A MET 203.A N ILE 199.A O no hydrogen 3.184 N/A ALA 204.A N ILE 200.A O no hydrogen 2.928 N/A LYS 205.A N VAL 201.A O no hydrogen 2.979 N/A LYS 205.A NZ ILE 90.A O no hydrogen 3.161 N/A LYS 205.A NZ LYS 92.A O no hydrogen 2.950 N/A LYS 205.A NZ ASP 114.A OD1 no hydrogen 3.164 N/A LYS 205.A NZ ASP 114.A OD2 no hydrogen 2.543 N/A GLU 206.A N ALA 202.A O no hydrogen 3.087 N/A SER 207.A N MET 203.A O no hydrogen 2.947 N/A VAL 208.A N ALA 204.A O no hydrogen 2.932 N/A ASN 209.A N LYS 205.A O no hydrogen 3.029 N/A ALA 210.A N GLU 206.A O no hydrogen 3.102 N/A ALA 211.A N VAL 208.A O no hydrogen 3.037 N/A PHE 212.A N ASN 209.A O no hydrogen 3.105 N/A GLU 213.A N ALA 210.A O no hydrogen 2.983 N/A GLU 218.A N THR 215.A OG1 no hydrogen 3.356 N/A GLY 219.A N THR 215.A O no hydrogen 2.788 N/A ASN 220.A N LEU 216.A O no hydrogen 2.858 N/A LYS 221.A N THR 217.A O no hydrogen 3.102 N/A LYS 221.A NZ GLU 218.A OE2 no hydrogen 2.843 N/A LEU 222.A N GLU 218.A O no hydrogen 2.838 N/A GLU 223.A N GLY 219.A O no hydrogen 2.863 N/A LYS 224.A N ASN 220.A O no hydrogen 2.935 N/A LYS 225.A N LYS 221.A O no hydrogen 3.067 N/A LYS 225.A NZ LYS 221.A O no hydrogen 3.323 N/A LEU 226.A N LEU 222.A O no hydrogen 3.010 N/A PHE 227.A N GLU 223.A O no hydrogen 2.754 N/A TYR 228.A N LYS 224.A O no hydrogen 2.834 N/A SER 229.A N LYS 225.A O no hydrogen 3.073 N/A SER 229.A OG LYS 225.A O no hydrogen 3.172 N/A THR 230.A N LEU 226.A O no hydrogen 3.152 N/A THR 230.A N PHE 227.A O no hydrogen 3.249 N/A THR 230.A OG1 PHE 227.A O no hydrogen 2.654 N/A PHE 231.A N TYR 228.A O no hydrogen 3.053 N/A ALA 232.A N SER 229.A O no hydrogen 2.743 N/A THR 233.A N THR 230.A O no hydrogen 3.140 N/A THR 233.A OG1 THR 230.A O no hydrogen 2.735 N/A ASP 234.A N HIS 254.A OXT no hydrogen 3.104 N/A ASP 235.A N HIS 254.A O no hydrogen 2.701 N/A ARG 236.A N THR 233.A OG1 no hydrogen 3.222 N/A GLU 238.A N ASP 234.A O no hydrogen 2.702 N/A GLY 239.A N ASP 235.A O no hydrogen 2.753 N/A MET 240.A N ARG 236.A O no hydrogen 2.905 N/A SER 241.A N ARG 237.A O no hydrogen 2.917 N/A SER 241.A OG ARG 237.A O no hydrogen 2.588 N/A ALA 242.A N GLU 238.A O no hydrogen 2.850 N/A PHE 243.A N GLY 239.A O no hydrogen 3.180 N/A VAL 244.A N MET 240.A O no hydrogen 2.962 N/A GLU 245.A N SER 241.A O no hydrogen 2.664 N/A LYS 246.A N PHE 243.A O no hydrogen 3.104 N/A ARG 247.A N ALA 242.A O no hydrogen 2.806 N/A ARG 247.A NE GLU 245.A OE1 no hydrogen 2.540 N/A ARG 247.A NH1 GLU 238.A OE2 no hydrogen 2.625 N/A ARG 247.A NH1 LYS 248.A O no hydrogen 3.040 N/A ARG 247.A NH2 GLU 238.A OE1 no hydrogen 2.931 N/A ARG 247.A NH2 GLU 238.A OE2 no hydrogen 3.154 N/A ASN 250.A N GLU 238.A OE2 no hydrogen 2.860 N/A LYS 252.A N ASP 235.A OD1 no hydrogen 2.710 N/A HIS 254.A N ASP 235.A OD2 no hydrogen 2.519 N/A