Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1dub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLU 38.A OE2 no hydrogen 2.795 N/A TYR 5.A N GLU 38.A OE1 no hydrogen 2.711 N/A ILE 7.A N GLN 21.A O no hydrogen 2.783 N/A GLU 9.A N LEU 19.A O no hydrogen 2.823 N/A LYS 10.A NZ ASP 49.A OD2 no hydrogen 3.518 N/A LYS 11.A N VAL 17.A O no hydrogen 2.546 N/A LYS 13.A N GLU 197.A OE2 no hydrogen 3.159 N/A LYS 13.A NZ ASN 14.A OD1 no hydrogen 2.903 N/A SER 15.A N GLY 12.A O no hydrogen 2.725 N/A SER 16.A OG LYS 13.A O no hydrogen 2.794 N/A VAL 17.A N LYS 11.A O no hydrogen 3.066 N/A GLY 18.A N ALA 54.A O no hydrogen 2.967 N/A LEU 19.A N GLU 9.A O no hydrogen 2.535 N/A ILE 20.A N VAL 56.A O no hydrogen 2.784 N/A GLN 21.A N ILE 7.A O no hydrogen 2.764 N/A LEU 22.A N THR 58.A O no hydrogen 2.778 N/A ASN 23.A N TYR 5.A O no hydrogen 2.601 N/A ARG 24.A N ASN 29.A OD1 no hydrogen 2.832 N/A ARG 24.A NH1 ALA 30.A O no hydrogen 2.869 N/A ARG 24.A NH1 ASP 69.A OD2 no hydrogen 3.176 N/A ARG 24.A NH2 ASP 69.A OD2 no hydrogen 3.149 N/A ALA 27.A N ARG 24.A O no hydrogen 3.056 N/A LEU 28.A N PRO 25.A O no hydrogen 2.983 N/A ASN 29.A N ARG 24.A O no hydrogen 2.896 N/A ASN 29.A ND2 LEU 22.A O no hydrogen 3.576 N/A ASN 29.A ND2 ALA 63.A O no hydrogen 2.836 N/A ASN 29.A ND2 PHE 64.A O no hydrogen 3.139 N/A ALA 30.A N ALA 27.A O no hydrogen 2.800 N/A LEU 31.A N GLY 67.A O no hydrogen 2.736 N/A CYS 32.A N ALA 30.A O no hydrogen 2.898 N/A ASN 33.A N GLU 72.A OE1 no hydrogen 3.114 N/A ILE 36.A N CYS 32.A O no hydrogen 2.973 N/A GLU 37.A N ASN 33.A O no hydrogen 2.888 N/A GLU 38.A N GLY 34.A O no hydrogen 3.094 N/A LEU 39.A N LEU 35.A O no hydrogen 2.845 N/A ASN 40.A N ILE 36.A O no hydrogen 2.891 N/A ASN 40.A ND2 HIS 89.A O no hydrogen 2.873 N/A GLN 41.A N GLU 37.A O no hydrogen 3.104 N/A ALA 42.A N GLU 38.A O no hydrogen 2.796 N/A LEU 43.A N LEU 39.A O no hydrogen 2.902 N/A GLU 44.A N ASN 40.A O no hydrogen 3.049 N/A THR 45.A N GLN 41.A O no hydrogen 2.981 N/A THR 45.A OG1 GLN 41.A O no hydrogen 3.180 N/A PHE 46.A N ALA 42.A O no hydrogen 3.018 N/A GLU 47.A N LEU 43.A O no hydrogen 2.831 N/A GLU 48.A N GLU 44.A O no hydrogen 2.921 N/A ASP 49.A N PHE 46.A O no hydrogen 3.122 N/A VAL 52.A N ASP 49.A O no hydrogen 2.829 N/A GLY 53.A N SER 16.A O no hydrogen 2.923 N/A ILE 55.A N PRO 99.A O no hydrogen 2.928 N/A VAL 56.A N GLY 18.A O no hydrogen 2.975 N/A LEU 57.A N ILE 101.A O no hydrogen 2.794 N/A THR 58.A N ILE 20.A O no hydrogen 2.869 N/A THR 58.A OG1 ALA 103.A O no hydrogen 2.772 N/A GLY 60.A N ALA 63.A O no hydrogen 2.960 N/A PHE 64.A N TYR 107.A O no hydrogen 2.702 N/A ALA 65.A N TYR 107.A O no hydrogen 3.090 N/A ALA 66.A N LEU 28.A O no hydrogen 2.953 N/A GLU 72.A N ASP 69.A O no hydrogen 3.086 N/A GLU 72.A N ASP 69.A OD1 no hydrogen 3.358 N/A MET 73.A N ASP 69.A O no hydrogen 3.169 N/A MET 73.A N ILE 70.A O no hydrogen 3.056 N/A GLN 74.A N ILE 70.A O no hydrogen 2.854 N/A ARG 76.A N MET 73.A O no hydrogen 2.891 N/A ARG 76.A NE GLU 72.A O no hydrogen 3.509 N/A ARG 76.A NH1 ASP 80.A OD2 no hydrogen 2.806 N/A THR 77.A N ASP 80.A OD2 no hydrogen 3.065 N/A GLN 79.A N GLN 79.A OE1 no hydrogen 2.901 N/A ASP 80.A N THR 77.A O no hydrogen 2.970 N/A ASP 80.A N THR 77.A OG1 no hydrogen 3.011 N/A CYS 81.A N THR 77.A O no hydrogen 3.048 N/A CYS 81.A SG THR 77.A O no hydrogen 3.407 N/A TYR 82.A N PHE 78.A O no hydrogen 2.977 N/A SER 83.A N GLN 79.A O no hydrogen 3.126 N/A SER 83.A OG GLN 79.A O no hydrogen 2.969 N/A GLY 84.A N ASP 80.A O no hydrogen 2.747 N/A LYS 85.A N TYR 82.A O no hydrogen 3.090 N/A PHE 86.A N CYS 81.A O no hydrogen 3.080 N/A SER 88.A N LYS 85.A O no hydrogen 3.076 N/A SER 88.A OG LYS 85.A O no hydrogen 2.876 N/A TRP 90.A N LEU 87.A O no hydrogen 3.191 N/A THR 94.A N ASP 91.A O no hydrogen 3.344 N/A THR 94.A OG1 ASP 91.A O no hydrogen 2.682 N/A ARG 95.A N HIS 92.A O no hydrogen 2.773 N/A ILE 96.A N ILE 93.A O no hydrogen 3.249 N/A LYS 97.A N GLU 47.A OE2 no hydrogen 2.922 N/A LYS 97.A NZ GLU 212.A OE2 no hydrogen 3.146 N/A LYS 98.A N GLU 47.A OE1 no hydrogen 3.318 N/A LYS 98.A NZ PHE 46.A O no hydrogen 2.952 N/A LYS 98.A NZ GLU 47.A O no hydrogen 2.969 N/A LYS 98.A NZ VAL 52.A O no hydrogen 2.651 N/A VAL 100.A N ASP 120.A OD2 no hydrogen 2.838 N/A ILE 101.A N ILE 55.A O no hydrogen 2.822 N/A ALA 102.A N ILE 121.A O no hydrogen 2.850 N/A ALA 103.A N LEU 57.A O no hydrogen 2.721 N/A VAL 104.A N TYR 123.A O no hydrogen 2.776 N/A ASN 105.A ND2 VAL 185.A O no hydrogen 3.153 N/A TYR 107.A N LYS 62.A O no hydrogen 3.047 N/A ALA 108.A N GLN 129.A O no hydrogen 2.854 N/A LEU 109.A N ALA 65.A O no hydrogen 3.079 N/A GLY 110.A N GLY 131.A O no hydrogen 2.921 N/A GLY 112.A N LEU 109.A O no hydrogen 2.731 N/A CYS 113.A N GLY 110.A O no hydrogen 2.857 N/A CYS 113.A SG GLN 132.A OE1 no hydrogen 3.170 N/A GLU 114.A N GLY 110.A O no hydrogen 3.051 N/A LEU 115.A N GLY 111.A O no hydrogen 2.933 N/A ALA 116.A N GLY 112.A O no hydrogen 3.156 N/A MET 117.A N CYS 113.A O no hydrogen 2.819 N/A MET 118.A N GLU 114.A O no hydrogen 2.926 N/A MET 118.A N LEU 115.A O no hydrogen 3.087 N/A CYS 119.A N ALA 116.A O no hydrogen 3.010 N/A CYS 119.A SG LEU 115.A O no hydrogen 3.482 N/A ASP 120.A N VAL 100.A O no hydrogen 2.946 N/A ILE 121.A N VAL 100.A O no hydrogen 3.425 N/A TYR 123.A N ALA 102.A O no hydrogen 2.819 N/A ALA 124.A N LYS 181.A O no hydrogen 2.932 N/A GLY 125.A N VAL 104.A O no hydrogen 2.788 N/A ALA 128.A N GLY 125.A O no hydrogen 3.033 N/A GLN 129.A N GLY 106.A O no hydrogen 2.834 N/A PHE 130.A N ILE 168.A O no hydrogen 2.900 N/A GLY 131.A N ALA 108.A O no hydrogen 3.321 N/A GLN 132.A NE2 GLU 134.A OE1 no hydrogen 3.024 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.881 N/A LEU 136.A N PRO 133.A O no hydrogen 2.928 N/A LEU 137.A N GLU 134.A O no hydrogen 2.923 N/A GLY 138.A N ILE 135.A O no hydrogen 3.063 N/A THR 139.A N GLU 134.A O no hydrogen 3.080 N/A ALA 143.A N GLU 114.A OE2 no hydrogen 2.858 N/A GLY 145.A N GLU 114.A OE2 no hydrogen 2.782 N/A GLN 147.A N GLY 144.A O no hydrogen 2.927 N/A GLN 147.A NE2 THR 146.A OG1 no hydrogen 3.253 N/A ARG 148.A N GLY 144.A O no hydrogen 2.776 N/A THR 150.A OG1 THR 146.A O no hydrogen 2.490 N/A ARG 151.A N GLN 147.A O no hydrogen 3.123 N/A ARG 151.A NH1 GLN 147.A O no hydrogen 3.190 N/A ARG 151.A NH1 GLN 147.A OE1 no hydrogen 2.798 N/A ALA 152.A N ARG 148.A O no hydrogen 3.051 N/A ALA 152.A N LEU 149.A O no hydrogen 2.948 N/A VAL 153.A N LEU 149.A O no hydrogen 2.736 N/A GLY 154.A N THR 150.A O no hydrogen 2.839 N/A ALA 158.A N GLY 154.A O no hydrogen 3.067 N/A MET 159.A N LYS 155.A O no hydrogen 2.781 N/A GLU 160.A N SER 156.A O no hydrogen 3.000 N/A MET 161.A N LEU 157.A O no hydrogen 2.836 N/A VAL 162.A N ALA 158.A O no hydrogen 2.829 N/A LEU 163.A N MET 159.A O no hydrogen 2.844 N/A THR 164.A N GLU 160.A O no hydrogen 3.061 N/A THR 164.A OG1 GLU 160.A O no hydrogen 2.642 N/A GLY 165.A N MET 161.A O no hydrogen 2.900 N/A ASP 166.A N THR 164.A OG1 no hydrogen 3.104 N/A ILE 168.A N PHE 130.A O no hydrogen 2.760 N/A SER 169.A N ASP 172.A OD2 no hydrogen 3.385 N/A ASP 172.A N SER 169.A OG no hydrogen 3.275 N/A ALA 173.A N SER 169.A O no hydrogen 2.987 N/A LYS 174.A N ALA 170.A O no hydrogen 2.868 N/A LYS 174.A NZ SER 180.A O no hydrogen 3.281 N/A GLN 175.A N GLN 171.A O no hydrogen 2.785 N/A ALA 176.A N ASP 172.A O no hydrogen 2.943 N/A GLY 177.A N LYS 174.A O no hydrogen 2.848 N/A LEU 178.A N ALA 173.A O no hydrogen 2.739 N/A VAL 179.A N ALA 173.A O no hydrogen 3.334 N/A SER 180.A N ILE 122.A O no hydrogen 3.093 N/A PHE 183.A N ALA 124.A O no hydrogen 2.812 N/A GLU 186.A N GLU 186.A OE2 no hydrogen 2.694 N/A THR 187.A N PRO 184.A O no hydrogen 3.116 N/A THR 187.A OG1 PRO 184.A O no hydrogen 3.504 N/A LEU 188.A N PRO 184.A O no hydrogen 2.894 N/A GLU 191.A N THR 187.A O no hydrogen 2.840 N/A ALA 192.A N LEU 188.A O no hydrogen 2.859 N/A ILE 193.A N VAL 189.A O no hydrogen 2.854 N/A GLN 194.A N GLU 190.A O no hydrogen 2.927 N/A CYS 195.A N GLU 191.A O no hydrogen 3.100 N/A CYS 195.A SG TYR 123.A OH no hydrogen 3.169 N/A ALA 196.A N ALA 192.A O no hydrogen 2.891 N/A GLU 197.A N ILE 193.A O no hydrogen 2.749 N/A LYS 198.A N GLN 194.A O no hydrogen 3.007 N/A ILE 199.A N CYS 195.A O no hydrogen 3.214 N/A ALA 200.A N ALA 196.A O no hydrogen 2.845 N/A ASN 201.A N GLU 197.A O no hydrogen 2.909 N/A ASN 201.A N LYS 198.A O no hydrogen 2.974 N/A ASN 202.A N ILE 199.A O no hydrogen 3.112 N/A SER 203.A OG ASP 241.A OD2 no hydrogen 2.624 N/A LYS 204.A N ASP 259.A OD1 no hydrogen 2.971 N/A VAL 207.A N SER 203.A O no hydrogen 2.883 N/A ALA 208.A N LYS 204.A O no hydrogen 2.889 N/A MET 209.A N ILE 205.A O no hydrogen 3.191 N/A ALA 210.A N ILE 206.A O no hydrogen 2.857 N/A LYS 211.A N VAL 207.A O no hydrogen 3.008 N/A LYS 211.A NZ ILE 96.A O no hydrogen 2.845 N/A LYS 211.A NZ LYS 98.A O no hydrogen 2.848 N/A LYS 211.A NZ ASP 120.A OD2 no hydrogen 2.779 N/A GLU 212.A N ALA 208.A O no hydrogen 3.060 N/A SER 213.A N MET 209.A O no hydrogen 2.954 N/A VAL 214.A N ALA 210.A O no hydrogen 2.934 N/A ASN 215.A N LYS 211.A O no hydrogen 2.981 N/A ALA 216.A N GLU 212.A O no hydrogen 3.258 N/A ALA 217.A N VAL 214.A O no hydrogen 2.984 N/A PHE 218.A N ASN 215.A O no hydrogen 3.074 N/A GLU 219.A N ALA 216.A O no hydrogen 2.977 N/A GLU 224.A N THR 221.A OG1 no hydrogen 3.358 N/A GLY 225.A N THR 221.A O no hydrogen 2.853 N/A ASN 226.A N LEU 222.A O no hydrogen 2.973 N/A LYS 227.A N THR 223.A O no hydrogen 3.138 N/A LYS 227.A NZ GLU 224.A OE2 no hydrogen 3.107 N/A LEU 228.A N GLU 224.A O no hydrogen 2.833 N/A GLU 229.A N GLY 225.A O no hydrogen 2.787 N/A LYS 230.A N ASN 226.A O no hydrogen 2.896 N/A LYS 231.A N LYS 227.A O no hydrogen 3.068 N/A LEU 232.A N LEU 228.A O no hydrogen 2.968 N/A PHE 233.A N GLU 229.A O no hydrogen 2.798 N/A TYR 234.A N LYS 230.A O no hydrogen 2.828 N/A SER 235.A N LYS 231.A O no hydrogen 3.129 N/A SER 235.A OG LYS 231.A O no hydrogen 3.094 N/A THR 236.A N LEU 232.A O no hydrogen 2.989 N/A THR 236.A N PHE 233.A O no hydrogen 3.129 N/A THR 236.A OG1 PHE 233.A O no hydrogen 2.683 N/A PHE 237.A N TYR 234.A O no hydrogen 3.081 N/A ALA 238.A N SER 235.A O no hydrogen 2.789 N/A THR 239.A N THR 236.A O no hydrogen 3.016 N/A THR 239.A OG1 THR 236.A O no hydrogen 2.778 N/A ASP 240.A N HIS 260.A OXT no hydrogen 3.014 N/A ASP 241.A N HIS 260.A O no hydrogen 2.744 N/A ARG 242.A N THR 239.A OG1 no hydrogen 3.335 N/A GLU 244.A N ASP 240.A O no hydrogen 2.813 N/A GLY 245.A N ASP 241.A O no hydrogen 2.670 N/A MET 246.A N ARG 242.A O no hydrogen 3.005 N/A SER 247.A N ARG 243.A O no hydrogen 2.877 N/A SER 247.A OG ARG 243.A O no hydrogen 2.864 N/A ALA 248.A N GLU 244.A O no hydrogen 3.039 N/A PHE 249.A N MET 246.A O no hydrogen 3.231 N/A VAL 250.A N MET 246.A O no hydrogen 3.232 N/A GLU 251.A N SER 247.A O no hydrogen 2.574 N/A LYS 252.A N PHE 249.A O no hydrogen 3.057 N/A ARG 253.A N ALA 248.A O no hydrogen 2.814 N/A ARG 253.A NE GLU 251.A OE1 no hydrogen 2.671 N/A ARG 253.A NH1 GLU 244.A OE2 no hydrogen 2.746 N/A ARG 253.A NH2 GLU 244.A OE1 no hydrogen 2.930 N/A ASN 256.A N GLU 244.A OE2 no hydrogen 2.721 N/A ASN 256.A ND2 LYS 254.A O no hydrogen 3.141 N/A LYS 258.A N ASP 241.A OD1 no hydrogen 2.716 N/A HIS 260.A ND1 LYS 258.A O no hydrogen 3.355 N/A