Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1due_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N SER 3.A O no hydrogen 3.152 N/A LYS 8.A N ALA 4.A O no hydrogen 3.300 N/A LYS 9.A N GLU 5.A O no hydrogen 2.953 N/A LYS 9.A NZ GLU 5.A O no hydrogen 2.908 N/A LYS 9.A NZ GLU 6.A OE1 no hydrogen 3.291 N/A HIS 10.A N GLU 6.A O no hydrogen 2.679 N/A HIS 10.A ND1 TYR 187.A OH no hydrogen 2.480 N/A HIS 10.A NE2 GLN 222.A O no hydrogen 2.664 N/A GLU 11.A N ILE 7.A O no hydrogen 2.979 N/A GLU 12.A N LYS 8.A O no hydrogen 3.231 N/A LYS 13.A N LYS 9.A O no hydrogen 3.092 N/A LYS 13.A NZ GLU 176.A OE1 no hydrogen 2.783 N/A TRP 14.A N HIS 10.A O no hydrogen 2.874 N/A ASN 15.A N GLU 11.A O no hydrogen 3.070 N/A LYS 16.A N LYS 13.A O no hydrogen 2.653 N/A TYR 17.A N TRP 14.A O no hydrogen 3.107 N/A TYR 18.A N TRP 14.A O no hydrogen 3.093 N/A TYR 18.A OH GLY 188.A O no hydrogen 2.736 N/A GLY 19.A N ASN 15.A O no hydrogen 2.515 N/A ASN 21.A ND2 ASN 24.A OD1 no hydrogen 3.283 N/A ASN 24.A N ASN 21.A O no hydrogen 2.807 N/A LEU 25.A N ALA 22.A O no hydrogen 3.261 N/A LEU 29.A N PRO 26.A O no hydrogen 2.860 N/A PHE 30.A N PRO 26.A O no hydrogen 3.155 N/A SER 31.A N ARG 172.A O no hydrogen 3.105 N/A SER 31.A OG LYS 27.A O no hydrogen 3.434 N/A VAL 33.A N MET 170.A O no hydrogen 2.832 N/A ASP 37.A N ASP 34.A OD1 no hydrogen 2.829 N/A ARG 38.A N ASP 34.A O no hydrogen 3.025 N/A ARG 38.A NH1 VAL 33.A O no hydrogen 2.970 N/A GLN 39.A N LYS 36.A O no hydrogen 3.387 N/A LYS 40.A N ASP 37.A O no hydrogen 3.111 N/A LYS 40.A NZ ASP 37.A OD1 no hydrogen 3.055 N/A TYR 41.A OH GLY 204.A O no hydrogen 2.602 N/A ASN 44.A N LYS 40.A O no hydrogen 2.947 N/A ASN 44.A ND2 GLN 39.A O no hydrogen 3.149 N/A THR 45.A N PRO 42.A O no hydrogen 2.967 N/A THR 45.A OG1 PRO 42.A O no hydrogen 2.608 N/A ILE 46.A N TYR 43.A O no hydrogen 3.068 N/A GLY 47.A N GLY 59.A O no hydrogen 3.064 N/A ASN 48.A N ARG 87.A O no hydrogen 2.868 N/A ASN 48.A ND2 SER 56.A OG no hydrogen 2.743 N/A VAL 49.A N ALA 57.A O no hydrogen 2.881 N/A PHE 50.A N SER 85.A O no hydrogen 2.718 N/A VAL 51.A N THR 55.A O no hydrogen 2.896 N/A LYS 52.A N LYS 83.A O no hydrogen 3.134 N/A GLN 54.A N VAL 51.A O no hydrogen 2.870 N/A THR 55.A N VAL 51.A O no hydrogen 3.159 N/A ALA 57.A N VAL 49.A O no hydrogen 2.879 N/A THR 58.A N ALA 195.A O no hydrogen 2.922 N/A THR 58.A OG1 GLY 193.A O no hydrogen 3.073 N/A GLY 59.A N GLY 47.A O no hydrogen 3.096 N/A VAL 60.A N LEU 68.A O no hydrogen 2.904 N/A LEU 61.A N THR 45.A O no hydrogen 2.966 N/A ILE 62.A N THR 66.A O no hydrogen 2.857 N/A GLY 63.A N THR 66.A O no hydrogen 3.263 N/A ASN 65.A N GLU 242.A O no hydrogen 3.137 N/A ASN 65.A N GLU 242.A OXT no hydrogen 2.694 N/A ASN 65.A ND2 GLU 242.A O no hydrogen 3.549 N/A THR 66.A N GLY 63.A O no hydrogen 3.482 N/A THR 66.A OG1 ASN 241.A OD1 no hydrogen 3.273 N/A THR 66.A OG1 GLU 242.A OXT no hydrogen 2.447 N/A VAL 67.A N ILE 124.A O no hydrogen 2.784 N/A LEU 68.A N VAL 60.A O no hydrogen 2.752 N/A THR 69.A N ALA 122.A O no hydrogen 3.135 N/A THR 69.A OG1 THR 58.A O no hydrogen 2.849 N/A ASN 70.A N THR 69.A OG1 no hydrogen 2.727 N/A ASN 70.A ND2 ASP 120.A O no hydrogen 2.921 N/A ASN 70.A ND2 HIS 210.A O no hydrogen 3.054 N/A ARG 71.A NE GLU 113.A OE1 no hydrogen 3.087 N/A ARG 71.A NH2 GLU 113.A OE1 no hydrogen 3.348 N/A HIS 72.A N ASP 120.A OD1 no hydrogen 2.788 N/A HIS 72.A ND1 ASP 120.A OD2 no hydrogen 2.769 N/A ILE 73.A N ASN 70.A O no hydrogen 3.242 N/A ALA 74.A N ASN 70.A O no hydrogen 3.100 N/A LYS 75.A N ARG 71.A O no hydrogen 2.954 N/A PHE 76.A N ILE 73.A O no hydrogen 3.183 N/A ALA 77.A N ALA 74.A O no hydrogen 3.206 N/A ASN 78.A N LYS 75.A O no hydrogen 3.079 N/A ASP 80.A N ALA 77.A O no hydrogen 3.005 N/A SER 82.A OG ASP 80.A OD1 no hydrogen 2.909 N/A SER 82.A OG ASP 80.A OD2 no hydrogen 2.834 N/A LYS 83.A N ASP 80.A O no hydrogen 3.172 N/A VAL 84.A N PRO 81.A O no hydrogen 2.932 N/A SER 85.A N PHE 50.A O no hydrogen 2.763 N/A PHE 86.A N TYR 105.A O no hydrogen 2.955 N/A ARG 87.A N ASN 48.A O no hydrogen 2.841 N/A ARG 87.A NE GLU 104.A OE2 no hydrogen 3.183 N/A ARG 87.A NH1 ASN 48.A OD1 no hydrogen 3.030 N/A SER 89.A N ILE 46.A O no hydrogen 3.053 N/A ASN 91.A N GLU 99.A O no hydrogen 2.987 N/A THR 92.A N ASN 168.A O no hydrogen 3.068 N/A THR 92.A OG1 THR 98.A OG1 no hydrogen 2.755 N/A ASP 93.A N ASN 97.A O no hydrogen 2.953 N/A ASN 95.A N ASP 93.A OD1 no hydrogen 2.713 N/A GLY 96.A N ASP 93.A O no hydrogen 3.183 N/A ASN 97.A N ASP 93.A OD1 no hydrogen 3.041 N/A THR 98.A OG1 THR 92.A OG1 no hydrogen 2.755 N/A GLU 99.A N ASN 91.A O no hydrogen 2.750 N/A GLY 103.A N THR 100.A O no hydrogen 2.810 N/A TYR 105.A N PHE 86.A O no hydrogen 2.801 N/A LYS 108.A N ARG 125.A O no hydrogen 2.832 N/A LYS 108.A NZ LEU 126.A O no hydrogen 2.965 N/A GLU 109.A N ARG 125.A O no hydrogen 3.345 N/A LEU 111.A N LEU 123.A O no hydrogen 2.907 N/A GLY 116.A N GLU 113.A O no hydrogen 3.064 N/A VAL 119.A N GLY 116.A O no hydrogen 3.091 N/A LEU 121.A N VAL 119.A O no hydrogen 2.784 N/A ALA 122.A N THR 69.A O no hydrogen 2.787 N/A LEU 123.A N LEU 111.A O no hydrogen 2.974 N/A ILE 124.A N VAL 67.A O no hydrogen 2.823 N/A ARG 125.A N GLU 109.A O no hydrogen 2.885 N/A ARG 125.A NH1 GLU 109.A OE1 no hydrogen 2.572 N/A ARG 125.A NH2 LYS 240.A O no hydrogen 2.889 N/A LEU 126.A N ASN 65.A O no hydrogen 2.812 N/A LYS 127.A N GLU 106.A O no hydrogen 2.839 N/A ASP 129.A N VAL 133.A O no hydrogen 2.799 N/A ASN 131.A N ASP 129.A OD1 no hydrogen 2.695 N/A GLY 132.A N ASP 129.A O no hydrogen 2.631 N/A VAL 133.A N ASP 129.A OD1 no hydrogen 2.775 N/A SER 134.A OG ASN 65.A OD1 no hydrogen 2.805 N/A GLY 136.A N LYS 64.A O no hydrogen 2.912 N/A ASP 137.A N SER 134.A O no hydrogen 3.040 N/A LYS 138.A N LEU 135.A O no hydrogen 2.978 N/A LYS 138.A NZ TYR 105.A OH no hydrogen 2.482 N/A LYS 138.A NZ ASP 129.A OD2 no hydrogen 3.071 N/A ILE 139.A N LEU 135.A O no hydrogen 2.986 N/A ALA 142.A N LEU 61.A O no hydrogen 2.954 N/A LYS 143.A N TYR 41.A OH no hydrogen 2.879 N/A LYS 143.A NZ ASN 203.A O no hydrogen 3.174 N/A LYS 143.A NZ ASN 203.A OD1 no hydrogen 3.414 N/A GLY 145.A N LEU 206.A O no hydrogen 2.831 N/A THR 146.A OG1 ILE 229.A O no hydrogen 3.539 N/A SER 147.A N ILE 229.A O no hydrogen 2.871 N/A LEU 150.A N SER 147.A O no hydrogen 3.243 N/A LYS 151.A N ASP 154.A OD2 no hydrogen 2.869 N/A LYS 151.A NZ ASP 149.A O no hydrogen 3.002 N/A GLY 153.A N LEU 177.A O no hydrogen 2.800 N/A ASP 154.A N LYS 151.A O no hydrogen 2.919 N/A LEU 156.A N ILE 175.A O no hydrogen 2.921 N/A GLU 157.A N PHE 200.A O no hydrogen 3.133 N/A LEU 158.A N SER 173.A O no hydrogen 2.808 N/A ILE 159.A N GLY 198.A O no hydrogen 2.906 N/A GLY 160.A N HIS 171.A O no hydrogen 3.063 N/A TYR 161.A N THR 58.A OG1 no hydrogen 2.975 N/A TYR 161.A OH ILE 90.A O no hydrogen 2.804 N/A PHE 163.A N TYR 161.A O no hydrogen 2.723 N/A HIS 165.A N PRO 162.A O no hydrogen 2.689 N/A LYS 166.A N PRO 162.A O no hydrogen 3.151 N/A LYS 166.A NZ ASP 94.A OD1 no hydrogen 2.947 N/A ASN 168.A ND2 THR 92.A OG1 no hydrogen 3.212 N/A GLN 169.A NE2 THR 92.A O no hydrogen 2.985 N/A GLN 169.A NE2 ASP 94.A OD1 no hydrogen 3.528 N/A HIS 171.A N GLY 160.A O no hydrogen 2.909 N/A HIS 171.A ND1 GLN 169.A O no hydrogen 2.654 N/A ARG 172.A N SER 31.A O no hydrogen 2.814 N/A ARG 172.A NE GLU 157.A OE1 no hydrogen 2.616 N/A ARG 172.A NH1 LYS 27.A O no hydrogen 3.088 N/A ARG 172.A NH1 SER 31.A OG no hydrogen 2.730 N/A ARG 172.A NH2 GLU 28.A O no hydrogen 2.834 N/A ARG 172.A NH2 GLU 157.A OE2 no hydrogen 2.998 N/A SER 173.A N LEU 158.A O no hydrogen 2.741 N/A SER 173.A OG PHE 189.A O no hydrogen 3.002 N/A GLU 174.A N LEU 29.A O no hydrogen 2.876 N/A ILE 175.A N LEU 156.A O no hydrogen 2.919 N/A GLU 176.A N TYR 187.A O no hydrogen 2.922 N/A LEU 177.A N ASP 154.A O no hydrogen 2.723 N/A THR 178.A N ARG 185.A O no hydrogen 3.021 N/A GLY 183.A N LEU 180.A O no hydrogen 3.328 N/A ARG 185.A NE ARG 182.A O no hydrogen 3.610 N/A ARG 185.A NH1 SER 215.A O no hydrogen 3.098 N/A ARG 185.A NH1 HIS 216.A ND1 no hydrogen 3.101 N/A TYR 186.A N ASN 224.A O no hydrogen 3.068 N/A TYR 186.A OH HIS 210.A ND1 no hydrogen 2.649 N/A TYR 187.A N GLU 176.A O no hydrogen 2.871 N/A TYR 187.A OH HIS 10.A ND1 no hydrogen 2.480 N/A THR 190.A N TYR 18.A OH no hydrogen 2.906 N/A THR 190.A OG1 ASN 224.A OD1 no hydrogen 2.801 N/A VAL 191.A N ASN 194.A OD1 no hydrogen 2.937 N/A GLY 193.A N ASP 164.A OD1 no hydrogen 3.008 N/A ASN 194.A N VAL 191.A O no hydrogen 2.879 N/A ASN 194.A ND2 SER 197.A OG no hydrogen 3.275 N/A ALA 195.A N PRO 192.A O no hydrogen 3.066 N/A GLY 196.A N HIS 210.A O no hydrogen 2.998 N/A SER 197.A N ASN 194.A O no hydrogen 2.817 N/A SER 197.A OG ASN 194.A O no hydrogen 2.471 N/A GLY 198.A N ILE 159.A O no hydrogen 3.161 N/A ILE 199.A N GLY 208.A O no hydrogen 2.873 N/A PHE 200.A N GLU 157.A O no hydrogen 2.890 N/A ASN 201.A N GLU 205.A O no hydrogen 2.975 N/A ASN 201.A ND2 GLU 205.A OE1 no hydrogen 3.124 N/A GLY 204.A N ASN 201.A O no hydrogen 2.643 N/A GLU 205.A N ASN 201.A OD1 no hydrogen 2.897 N/A LEU 206.A N LYS 143.A O no hydrogen 2.855 N/A VAL 207.A N ILE 199.A O no hydrogen 2.763 N/A ILE 209.A N VAL 227.A O no hydrogen 2.958 N/A HIS 210.A N SER 197.A O no hydrogen 2.803 N/A HIS 210.A ND1 TYR 186.A OH no hydrogen 2.649 N/A SER 211.A N TYR 225.A O no hydrogen 2.935 N/A SER 211.A OG ASP 120.A OD2 no hydrogen 2.533 N/A SER 212.A N TYR 225.A O no hydrogen 3.052 N/A LYS 213.A NZ THR 190.A O no hydrogen 2.750 N/A LYS 213.A NZ THR 190.A OG1 no hydrogen 3.235 N/A VAL 214.A N ILE 223.A O no hydrogen 3.057 N/A HIS 216.A N HIS 221.A O no hydrogen 2.675 N/A ASP 218.A N HIS 216.A O no hydrogen 2.666 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.683 N/A HIS 221.A ND1 ASP 218.A OD1 no hydrogen 2.645 N/A HIS 221.A NE2 GLU 11.A OE2 no hydrogen 3.079 N/A ILE 223.A N VAL 214.A O no hydrogen 3.166 N/A ASN 224.A N TYR 186.A O no hydrogen 3.154 N/A ASN 224.A ND2 TYR 186.A O no hydrogen 3.060 N/A ASN 224.A ND2 GLY 188.A O no hydrogen 2.875 N/A TYR 225.A N SER 212.A O no hydrogen 2.615 N/A GLY 226.A N LEU 184.A O no hydrogen 2.855 N/A VAL 227.A N ILE 209.A O no hydrogen 2.787 N/A ILE 229.A N VAL 207.A O no hydrogen 3.013 N/A TYR 232.A OH PHE 115.A O no hydrogen 2.888 N/A LYS 234.A N GLY 230.A O no hydrogen 3.035 N/A ARG 235.A N ASN 231.A O no hydrogen 3.250 N/A ILE 236.A N TYR 232.A O no hydrogen 3.297 N/A ILE 237.A N VAL 233.A O no hydrogen 2.986 N/A ASN 238.A N LYS 234.A O no hydrogen 2.824 N/A GLU 239.A N ARG 235.A O no hydrogen 3.003 N/A LYS 240.A N ILE 236.A O no hydrogen 2.867 N/A ASN 241.A N ILE 237.A O no hydrogen 2.651 N/A ASN 241.A ND2 ILE 62.A O no hydrogen 2.805 N/A GLU 242.A N THR 66.A OG1 no hydrogen 3.082 N/A