Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1dua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N SER 3.A O no hydrogen 3.007 N/A LYS 8.A N ALA 4.A O no hydrogen 3.309 N/A LYS 9.A N GLU 5.A O no hydrogen 2.999 N/A LYS 9.A NZ GLU 5.A O no hydrogen 3.512 N/A LYS 9.A NZ GLU 6.A OE1 no hydrogen 3.227 N/A HIS 10.A N GLU 6.A O no hydrogen 2.635 N/A HIS 10.A ND1 TYR 187.A OH no hydrogen 2.478 N/A GLU 11.A N ILE 7.A O no hydrogen 3.015 N/A GLU 12.A N LYS 8.A O no hydrogen 2.970 N/A LYS 13.A N LYS 9.A O no hydrogen 2.962 N/A LYS 13.A NZ GLU 176.A OE1 no hydrogen 2.980 N/A LYS 13.A NZ GLU 176.A OE2 no hydrogen 3.336 N/A TRP 14.A N HIS 10.A O no hydrogen 2.801 N/A ASN 15.A N GLU 11.A O no hydrogen 3.076 N/A LYS 16.A N LYS 13.A O no hydrogen 2.652 N/A TYR 17.A N TRP 14.A O no hydrogen 2.924 N/A TYR 18.A N TRP 14.A O no hydrogen 3.076 N/A TYR 18.A OH GLY 188.A O no hydrogen 2.539 N/A GLY 19.A N ASN 15.A O no hydrogen 2.577 N/A ASN 24.A N ASN 21.A O no hydrogen 2.809 N/A LEU 25.A N ALA 22.A O no hydrogen 3.054 N/A LYS 27.A NZ GLU 28.A OE1 no hydrogen 3.076 N/A LEU 29.A N PRO 26.A O no hydrogen 2.959 N/A PHE 30.A N PRO 26.A O no hydrogen 3.257 N/A SER 31.A N ARG 172.A O no hydrogen 3.084 N/A SER 31.A OG LYS 27.A O no hydrogen 3.475 N/A VAL 33.A N MET 170.A O no hydrogen 2.723 N/A ASP 37.A N ASP 34.A OD1 no hydrogen 2.753 N/A ARG 38.A N ASP 34.A O no hydrogen 2.940 N/A ARG 38.A NH1 VAL 33.A O no hydrogen 3.070 N/A LYS 40.A N ASP 37.A O no hydrogen 3.089 N/A LYS 40.A NZ ASP 37.A OD1 no hydrogen 2.800 N/A TYR 41.A OH GLY 204.A O no hydrogen 2.561 N/A ASN 44.A N LYS 40.A O no hydrogen 2.920 N/A THR 45.A N PRO 42.A O no hydrogen 2.966 N/A THR 45.A OG1 PRO 42.A O no hydrogen 2.603 N/A ILE 46.A N TYR 43.A O no hydrogen 3.080 N/A GLY 47.A N GLY 59.A O no hydrogen 2.984 N/A ASN 48.A N ARG 87.A O no hydrogen 2.894 N/A ASN 48.A ND2 SER 56.A OG no hydrogen 2.699 N/A ASN 48.A ND2 ALA 57.A O no hydrogen 2.855 N/A VAL 49.A N ALA 57.A O no hydrogen 2.821 N/A PHE 50.A N SER 85.A O no hydrogen 2.797 N/A VAL 51.A N THR 55.A O no hydrogen 2.977 N/A LYS 52.A N LYS 83.A O no hydrogen 3.034 N/A GLN 54.A N VAL 51.A O no hydrogen 2.941 N/A THR 55.A N VAL 51.A O no hydrogen 3.204 N/A ALA 57.A N VAL 49.A O no hydrogen 2.929 N/A THR 58.A N SER 195.A O no hydrogen 3.028 N/A THR 58.A OG1 GLY 193.A O no hydrogen 3.014 N/A GLY 59.A N GLY 47.A O no hydrogen 3.095 N/A VAL 60.A N LEU 68.A O no hydrogen 2.905 N/A LEU 61.A N THR 45.A O no hydrogen 2.945 N/A ILE 62.A N THR 66.A O no hydrogen 2.927 N/A GLY 63.A N THR 66.A O no hydrogen 3.158 N/A ASN 65.A N GLU 242.A O no hydrogen 3.103 N/A ASN 65.A N GLU 242.A OXT no hydrogen 2.634 N/A THR 66.A OG1 ASN 241.A OD1 no hydrogen 3.398 N/A THR 66.A OG1 GLU 242.A OXT no hydrogen 2.430 N/A VAL 67.A N ILE 124.A O no hydrogen 2.730 N/A LEU 68.A N VAL 60.A O no hydrogen 2.831 N/A THR 69.A N ALA 122.A O no hydrogen 3.146 N/A THR 69.A OG1 THR 58.A O no hydrogen 2.762 N/A ASN 70.A N THR 69.A OG1 no hydrogen 2.720 N/A ASN 70.A ND2 ASP 120.A O no hydrogen 2.793 N/A ASN 70.A ND2 HIS 210.A O no hydrogen 3.218 N/A ARG 71.A NE GLU 113.A OE1 no hydrogen 3.318 N/A ARG 71.A NH2 GLU 113.A OE1 no hydrogen 3.505 N/A HIS 72.A N ASP 120.A OD1 no hydrogen 2.823 N/A HIS 72.A ND1 ASP 120.A OD2 no hydrogen 2.729 N/A ILE 73.A N ASN 70.A O no hydrogen 3.192 N/A ALA 74.A N ASN 70.A O no hydrogen 3.061 N/A LYS 75.A N ARG 71.A O no hydrogen 2.969 N/A PHE 76.A N ILE 73.A O no hydrogen 3.065 N/A ALA 77.A N ALA 74.A O no hydrogen 3.028 N/A ASN 78.A N LYS 75.A O no hydrogen 3.152 N/A ASP 80.A N ALA 77.A O no hydrogen 3.012 N/A SER 82.A N ASP 80.A OD1 no hydrogen 3.256 N/A SER 82.A OG ASP 80.A OD1 no hydrogen 2.976 N/A SER 82.A OG ASP 80.A OD2 no hydrogen 3.022 N/A LYS 83.A N ASP 80.A O no hydrogen 3.151 N/A VAL 84.A N PRO 81.A O no hydrogen 2.984 N/A SER 85.A N PHE 50.A O no hydrogen 2.766 N/A SER 85.A OG GLU 104.A OE1 no hydrogen 3.029 N/A SER 85.A OG TYR 105.A O no hydrogen 3.513 N/A PHE 86.A N TYR 105.A O no hydrogen 2.979 N/A ARG 87.A N ASN 48.A O no hydrogen 2.827 N/A ARG 87.A NH1 ASN 48.A OD1 no hydrogen 2.911 N/A SER 89.A N ILE 46.A O no hydrogen 3.011 N/A ASN 91.A N GLU 99.A O no hydrogen 2.999 N/A THR 92.A N ASN 168.A O no hydrogen 2.980 N/A THR 92.A OG1 THR 98.A OG1 no hydrogen 2.902 N/A ASP 93.A N ASN 97.A O no hydrogen 2.962 N/A ASN 95.A N ASP 93.A OD1 no hydrogen 2.737 N/A GLY 96.A N ASP 93.A O no hydrogen 3.148 N/A ASN 97.A N ASP 93.A OD1 no hydrogen 2.979 N/A THR 98.A OG1 THR 92.A OG1 no hydrogen 2.902 N/A GLU 99.A N ASN 91.A O no hydrogen 2.768 N/A GLY 103.A N THR 100.A O no hydrogen 2.915 N/A TYR 105.A N PHE 86.A O no hydrogen 2.838 N/A LYS 108.A N ARG 125.A O no hydrogen 2.819 N/A LYS 108.A NZ LEU 126.A O no hydrogen 2.748 N/A GLU 109.A N ARG 125.A O no hydrogen 3.399 N/A LEU 111.A N LEU 123.A O no hydrogen 2.966 N/A GLY 116.A N GLU 113.A O no hydrogen 2.959 N/A VAL 119.A N GLY 116.A O no hydrogen 3.237 N/A LEU 121.A N VAL 119.A O no hydrogen 2.864 N/A ALA 122.A N THR 69.A O no hydrogen 2.813 N/A LEU 123.A N LEU 111.A O no hydrogen 3.057 N/A ILE 124.A N VAL 67.A O no hydrogen 2.779 N/A ARG 125.A N GLU 109.A O no hydrogen 2.904 N/A ARG 125.A NH1 GLU 109.A OE1 no hydrogen 2.852 N/A ARG 125.A NH2 LYS 240.A O no hydrogen 3.057 N/A LEU 126.A N ASN 65.A O no hydrogen 2.731 N/A LYS 127.A N GLU 106.A O no hydrogen 2.892 N/A ASP 129.A N VAL 133.A O no hydrogen 2.699 N/A ASN 131.A N ASP 129.A OD1 no hydrogen 2.722 N/A GLY 132.A N ASP 129.A O no hydrogen 2.806 N/A VAL 133.A N ASP 129.A OD1 no hydrogen 2.836 N/A SER 134.A OG ASN 65.A OD1 no hydrogen 2.818 N/A GLY 136.A N LYS 64.A O no hydrogen 2.969 N/A ASP 137.A N SER 134.A O no hydrogen 3.081 N/A LYS 138.A N LEU 135.A O no hydrogen 2.974 N/A LYS 138.A NZ TYR 105.A OH no hydrogen 2.551 N/A LYS 138.A NZ ASP 129.A OD2 no hydrogen 2.740 N/A ILE 139.A N LEU 135.A O no hydrogen 3.008 N/A ALA 142.A N LEU 61.A O no hydrogen 2.903 N/A LYS 143.A N TYR 41.A OH no hydrogen 2.982 N/A LYS 143.A NZ ASN 203.A O no hydrogen 3.098 N/A LYS 143.A NZ ASN 203.A OD1 no hydrogen 3.262 N/A GLY 145.A N LEU 206.A O no hydrogen 2.862 N/A SER 147.A N ILE 229.A O no hydrogen 3.010 N/A LEU 150.A N SER 147.A O no hydrogen 3.141 N/A LYS 151.A N ASP 154.A OD2 no hydrogen 2.974 N/A LYS 151.A NZ ASP 149.A O no hydrogen 3.256 N/A GLY 153.A N LEU 177.A O no hydrogen 2.935 N/A ASP 154.A N LYS 151.A O no hydrogen 2.894 N/A LEU 156.A N ILE 175.A O no hydrogen 2.958 N/A GLU 157.A N PHE 200.A O no hydrogen 3.199 N/A LEU 158.A N SER 173.A O no hydrogen 2.906 N/A ILE 159.A N GLY 198.A O no hydrogen 2.790 N/A GLY 160.A N HIS 171.A O no hydrogen 3.153 N/A TYR 161.A N THR 58.A OG1 no hydrogen 3.000 N/A TYR 161.A OH ILE 90.A O no hydrogen 2.794 N/A PHE 163.A N TYR 161.A O no hydrogen 2.792 N/A HIS 165.A N PRO 162.A O no hydrogen 2.777 N/A LYS 166.A N PRO 162.A O no hydrogen 3.138 N/A LYS 166.A NZ ASP 94.A OD1 no hydrogen 2.666 N/A ASN 168.A ND2 THR 92.A OG1 no hydrogen 3.045 N/A GLN 169.A NE2 THR 92.A O no hydrogen 2.956 N/A GLN 169.A NE2 ASP 94.A OD1 no hydrogen 3.251 N/A HIS 171.A N GLY 160.A O no hydrogen 3.009 N/A HIS 171.A ND1 GLN 169.A O no hydrogen 2.791 N/A ARG 172.A N SER 31.A O no hydrogen 2.798 N/A ARG 172.A NE GLU 157.A OE1 no hydrogen 2.520 N/A ARG 172.A NH1 LYS 27.A O no hydrogen 3.242 N/A ARG 172.A NH1 SER 31.A OG no hydrogen 2.756 N/A ARG 172.A NH2 GLU 28.A O no hydrogen 3.088 N/A ARG 172.A NH2 GLU 157.A OE2 no hydrogen 2.929 N/A SER 173.A N LEU 158.A O no hydrogen 2.786 N/A SER 173.A OG PHE 189.A O no hydrogen 2.825 N/A GLU 174.A N LEU 29.A O no hydrogen 3.008 N/A ILE 175.A N LEU 156.A O no hydrogen 2.876 N/A GLU 176.A N TYR 187.A O no hydrogen 2.881 N/A LEU 177.A N ASP 154.A O no hydrogen 2.684 N/A THR 178.A N ARG 185.A O no hydrogen 2.996 N/A ARG 185.A NE ARG 182.A O no hydrogen 2.758 N/A ARG 185.A NH1 SER 215.A O no hydrogen 3.268 N/A ARG 185.A NH1 HIS 216.A ND1 no hydrogen 3.361 N/A ARG 185.A NH2 ARG 182.A O no hydrogen 3.498 N/A TYR 186.A N ASN 224.A O no hydrogen 3.134 N/A TYR 186.A OH HIS 210.A ND1 no hydrogen 2.613 N/A TYR 187.A N GLU 176.A O no hydrogen 2.896 N/A TYR 187.A OH HIS 10.A ND1 no hydrogen 2.478 N/A THR 190.A N TYR 18.A OH no hydrogen 2.860 N/A THR 190.A OG1 ASN 224.A OD1 no hydrogen 2.794 N/A VAL 191.A N ASN 194.A OD1 no hydrogen 3.006 N/A GLY 193.A N ASP 164.A OD1 no hydrogen 3.201 N/A ASN 194.A N VAL 191.A O no hydrogen 2.952 N/A ASN 194.A ND2 SER 197.A OG no hydrogen 3.208 N/A SER 195.A N PRO 192.A O no hydrogen 3.068 N/A SER 195.A OG HIS 72.A NE2 no hydrogen 3.331 N/A SER 195.A OG PRO 192.A O no hydrogen 2.511 N/A SER 195.A OG SER 211.A O no hydrogen 3.373 N/A GLY 196.A N HIS 210.A O no hydrogen 2.869 N/A SER 197.A N ASN 194.A O no hydrogen 2.776 N/A SER 197.A OG ASN 194.A O no hydrogen 2.528 N/A GLY 198.A N ILE 159.A O no hydrogen 3.014 N/A ILE 199.A N GLY 208.A O no hydrogen 3.023 N/A PHE 200.A N GLU 157.A O no hydrogen 2.821 N/A ASN 201.A N GLU 205.A O no hydrogen 2.991 N/A ASN 201.A ND2 GLU 205.A OE1 no hydrogen 2.888 N/A GLY 204.A N ASN 201.A O no hydrogen 2.692 N/A GLU 205.A N ASN 201.A OD1 no hydrogen 2.958 N/A LEU 206.A N LYS 143.A O no hydrogen 2.827 N/A VAL 207.A N ILE 199.A O no hydrogen 2.756 N/A ILE 209.A N VAL 227.A O no hydrogen 2.906 N/A HIS 210.A N SER 197.A O no hydrogen 2.795 N/A HIS 210.A ND1 TYR 186.A OH no hydrogen 2.613 N/A SER 211.A N TYR 225.A O no hydrogen 2.939 N/A SER 211.A OG ASP 120.A OD2 no hydrogen 2.397 N/A SER 212.A N TYR 225.A O no hydrogen 3.104 N/A LYS 213.A NZ TYR 18.A OH no hydrogen 3.223 N/A LYS 213.A NZ THR 190.A O no hydrogen 2.675 N/A LYS 213.A NZ THR 190.A OG1 no hydrogen 3.033 N/A VAL 214.A N ILE 223.A O no hydrogen 2.953 N/A HIS 216.A N HIS 221.A O no hydrogen 2.854 N/A ASP 218.A N HIS 216.A O no hydrogen 2.793 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.939 N/A HIS 221.A ND1 ASP 218.A OD1 no hydrogen 2.538 N/A ILE 223.A N VAL 214.A O no hydrogen 3.114 N/A ASN 224.A N TYR 186.A O no hydrogen 3.176 N/A ASN 224.A ND2 TYR 186.A O no hydrogen 3.105 N/A ASN 224.A ND2 GLY 188.A O no hydrogen 2.826 N/A TYR 225.A N SER 212.A O no hydrogen 2.583 N/A GLY 226.A N LEU 184.A O no hydrogen 2.849 N/A VAL 227.A N ILE 209.A O no hydrogen 2.853 N/A ILE 229.A N VAL 207.A O no hydrogen 2.906 N/A TYR 232.A OH PHE 115.A O no hydrogen 3.128 N/A LYS 234.A N GLY 230.A O no hydrogen 2.838 N/A ARG 235.A N ASN 231.A O no hydrogen 3.176 N/A ILE 236.A N TYR 232.A O no hydrogen 3.232 N/A ILE 237.A N VAL 233.A O no hydrogen 3.031 N/A ASN 238.A N LYS 234.A O no hydrogen 2.941 N/A GLU 239.A N ARG 235.A O no hydrogen 3.047 N/A LYS 240.A N ILE 236.A O no hydrogen 2.906 N/A ASN 241.A N ILE 237.A O no hydrogen 2.683 N/A ASN 241.A ND2 ILE 62.A O no hydrogen 2.861 N/A GLU 242.A N THR 66.A OG1 no hydrogen 3.092 N/A