Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pue_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ALA 22.A O no hydrogen 2.742 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 2.959 N/A GLN 4.A NE2 SER 108.A OG no hydrogen 2.969 N/A THR 5.A N GLN 20.A O no hydrogen 3.040 N/A GLN 9.A N ARG 109.A O no hydrogen 3.034 N/A LEU 11.A N THR 111.A O no hydrogen 2.908 N/A LYS 12.A N GLN 15.A OE1 no hydrogen 2.904 N/A LYS 12.A NZ GLU 114.A O no hydrogen 3.411 N/A THR 13.A N LEU 113.A O no hydrogen 2.853 N/A THR 13.A OG1 LEU 113.A O no hydrogen 3.307 N/A GLY 14.A N ALA 79.A O no hydrogen 2.781 N/A GLN 15.A N LYS 12.A O no hydrogen 2.925 N/A SER 16.A OG GLU 77.A O no hydrogen 2.811 N/A MET 17.A N LEU 76.A O no hydrogen 3.115 N/A LEU 19.A N LEU 74.A O no hydrogen 2.635 N/A GLN 20.A N THR 5.A O no hydrogen 2.892 N/A ALA 22.A N THR 3.A O no hydrogen 2.793 N/A GLN 23.A N ARG 70.A O no hydrogen 3.019 N/A GLN 23.A NE2 HIS 27.A O no hydrogen 3.215 N/A MET 25.A N GLN 23.A OE1 no hydrogen 3.028 N/A HIS 27.A N GLN 23.A OE1 no hydrogen 3.180 N/A HIS 27.A ND1 SER 91.A OG no hydrogen 2.926 N/A ASN 28.A N VAL 93.A O no hydrogen 2.962 N/A ASN 28.A ND2 VAL 93.A O no hydrogen 2.930 N/A SER 29.A N SER 92.A O no hydrogen 3.067 N/A SER 29.A OG ALA 48.A O no hydrogen 3.087 N/A SER 29.A OG THR 95.A OG1 no hydrogen 2.789 N/A MET 30.A N SER 47.A O no hydrogen 2.934 N/A TYR 31.A N ALA 90.A O no hydrogen 2.818 N/A TYR 31.A OH SER 92.A OG no hydrogen 3.094 N/A TRP 32.A N TYR 45.A O no hydrogen 3.047 N/A TRP 32.A NE1 PHE 72.A O no hydrogen 2.816 N/A TYR 33.A N PHE 88.A O no hydrogen 2.702 N/A ARG 34.A N ARG 42.A O no hydrogen 3.006 N/A ARG 34.A NE ASP 36.A OD2 no hydrogen 2.877 N/A ARG 34.A NH1 SER 82.A O no hydrogen 3.093 N/A ARG 34.A NH2 ASP 36.A OD1 no hydrogen 2.841 N/A ARG 34.A NH2 ASP 36.A OD2 no hydrogen 3.377 N/A ARG 34.A NH2 SER 82.A O no hydrogen 3.018 N/A GLN 35.A N VAL 86.A O no hydrogen 2.819 N/A ARG 42.A N ARG 34.A O no hydrogen 3.075 N/A ARG 42.A NH2 ASP 36.A OD2 no hydrogen 2.745 N/A ILE 44.A N TRP 32.A O no hydrogen 2.808 N/A TYR 46.A N ASP 54.A O no hydrogen 2.993 N/A SER 47.A N MET 30.A O no hydrogen 2.808 N/A SER 47.A OG SER 49.A O no hydrogen 3.073 N/A SER 47.A OG THR 52.A O no hydrogen 2.606 N/A THR 52.A N SER 49.A O no hydrogen 3.205 N/A ASP 54.A N TYR 46.A O no hydrogen 2.867 N/A LYS 55.A N ASP 54.A OD1 no hydrogen 2.816 N/A GLY 56.A N ILE 44.A O no hydrogen 2.853 N/A VAL 58.A N LEU 43.A O no hydrogen 3.080 N/A TYR 62.A N PRO 59.A O no hydrogen 3.078 N/A TYR 62.A OH TYR 87.A OH no hydrogen 2.602 N/A ASN 63.A N ARG 75.A O no hydrogen 3.104 N/A ASN 63.A ND2.A GLU 77.A OE2 no hydrogen 3.049 N/A SER 65.A N SER 73.A O no hydrogen 3.020 N/A ARG 66.A NE ASN 68.A O no hydrogen 2.967 N/A ARG 66.A NH1 ASN 28.A O no hydrogen 2.971 N/A ARG 66.A NH1 LYS 69.A O no hydrogen 2.966 N/A ARG 66.A NH2 ASN 28.A O no hydrogen 2.930 N/A ARG 66.A NH2 SER 47.A OG no hydrogen 2.728 N/A LEU 67.A N GLU 71.A O no hydrogen 3.073 N/A ASN 68.A ND2 GLU 71.A OE2 no hydrogen 3.124 N/A LYS 69.A NZ ASN 26.A OD1 no hydrogen 2.742 N/A ARG 70.A N ASN 68.A OD1 no hydrogen 2.799 N/A ARG 70.A NE ASP 24.A OD2 no hydrogen 2.589 N/A ARG 70.A NH2 ASP 24.A OD1 no hydrogen 3.225 N/A PHE 72.A N CYS 21.A O no hydrogen 3.089 N/A SER 73.A N SER 65.A O no hydrogen 2.881 N/A SER 73.A OG GLN 20.A OE1 no hydrogen 3.083 N/A LEU 74.A N LEU 19.A O no hydrogen 2.982 N/A ARG 75.A N ASN 63.A O no hydrogen 2.808 N/A ARG 75.A NH1 THR 18.A OG1 no hydrogen 3.020 N/A LEU 76.A N MET 17.A O no hydrogen 2.704 N/A ALA 79.A N GLN 15.A O no hydrogen 2.851 N/A ALA 80.A N GLN 83.A OE1 no hydrogen 2.897 N/A GLN 83.A N ALA 80.A O no hydrogen 2.849 N/A GLN 83.A NE2 GLY 61.A O no hydrogen 3.175 N/A THR 84.A N PRO 81.A O no hydrogen 3.095 N/A THR 84.A OG1 PRO 81.A O no hydrogen 3.082 N/A SER 85.A N LEU 110.A O no hydrogen 3.088 N/A SER 85.A OG GLN 35.A O no hydrogen 3.042 N/A SER 85.A OG ASP 36.A OD1 no hydrogen 2.832 N/A VAL 86.A N GLN 35.A O no hydrogen 3.477 N/A TYR 87.A N SER 108.A O no hydrogen 2.844 N/A TYR 87.A OH TYR 62.A OH no hydrogen 2.602 N/A TYR 87.A OH GLN 83.A O no hydrogen 2.606 N/A PHE 88.A N TYR 33.A O no hydrogen 2.819 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 2.946 N/A CYS 89.A SG.A TYR 31.A O no hydrogen 3.529 N/A CYS 89.A SG.A ALA 90.A O no hydrogen 3.927 N/A CYS 89.A SG.B GLN 4.A OE1 no hydrogen 3.573 N/A ALA 90.A N TYR 31.A O no hydrogen 2.852 N/A SER 91.A N PHE 103.A O no hydrogen 2.930 N/A SER 91.A OG HIS 27.A ND1 no hydrogen 2.926 N/A SER 92.A N SER 29.A O no hydrogen 2.916 N/A SER 92.A OG TYR 31.A OH no hydrogen 3.094 N/A SER 92.A OG TRP 94.A O no hydrogen 2.765 N/A THR 95.A OG1 SER 29.A OG no hydrogen 2.789 N/A THR 95.A OG1 TYR 31.A OH no hydrogen 2.804 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.584 N/A PHE 103.A N SER 91.A O no hydrogen 2.881 N/A GLY 105.A N CYS 89.A O no hydrogen 2.733 N/A SER 108.A N TYR 87.A O no hydrogen 2.829 N/A SER 108.A OG PRO 6.A O no hydrogen 2.557 N/A ARG 109.A N LYS 7.A O no hydrogen 2.893 N/A ARG 109.A NH2.A ASP 152.A OD2 no hydrogen 3.448 N/A LEU 110.A N SER 85.A O no hydrogen 2.984 N/A THR 111.A N GLN 9.A O no hydrogen 3.106 N/A THR 111.A OG1 HIS 153.A NE2 no hydrogen 2.598 N/A VAL 112.A N THR 84.A OG1 no hydrogen 2.923 N/A LEU 113.A N LEU 11.A O no hydrogen 2.759 N/A LYS 117.A N ASP 115.A OD1 no hydrogen 2.969 N/A ASN 118.A ND2 ASP 184.A O no hydrogen 2.962 N/A VAL 119.A N LEU 116.A O no hydrogen 3.095 N/A PHE 120.A N TYR 150.A O no hydrogen 2.844 N/A GLU 123.A N THR 147.A O no hydrogen 3.037 N/A ALA 125.A N LEU 145.A O no hydrogen 3.097 N/A PHE 127.A N VAL 143.A O no hydrogen 2.740 N/A ALA 132.A N SER 130.A OG no hydrogen 3.097 N/A ILE 134.A N SER 130.A O no hydrogen 3.356 N/A SER 135.A N GLU 131.A O no hydrogen 3.229 N/A SER 135.A OG ALA 132.A O no hydrogen 3.325 N/A HIS 136.A N ALA 132.A O no hydrogen 3.090 N/A THR 137.A N GLU 133.A O no hydrogen 2.957 N/A THR 137.A OG1 GLU 133.A O no hydrogen 3.096 N/A GLN 138.A N ILE 134.A O no hydrogen 2.924 N/A GLN 138.A NE2.A SER 135.A O no hydrogen 2.887 N/A LYS 139.A N THR 137.A OG1 no hydrogen 3.074 N/A ALA 140.A N VAL 195.A O no hydrogen 2.739 N/A THR 141.A N GLU 133.A OE1 no hydrogen 2.901 N/A THR 141.A OG1 GLU 133.A OE2 no hydrogen 2.812 N/A LEU 142.A N LEU 193.A O no hydrogen 2.788 N/A VAL 143.A N PHE 127.A O no hydrogen 3.224 N/A CYS 144.A N SER 191.A O no hydrogen 2.795 N/A CYS 144.A SG ALA 125.A O no hydrogen 3.827 N/A LEU 145.A N ALA 125.A O no hydrogen 2.948 N/A ALA 146.A N LEU 189.A O no hydrogen 2.876 N/A THR 147.A N GLU 123.A O no hydrogen 2.918 N/A GLY 148.A N GLU 178.A OE2 no hydrogen 3.244 N/A PHE 149.A N TYR 187.A O no hydrogen 3.186 N/A TYR 150.A N PHE 120.A O no hydrogen 2.905 N/A HIS 153.A N PRO 151.A O no hydrogen 2.889 N/A HIS 153.A NE2 THR 111.A OG1 no hydrogen 2.598 N/A GLU 155.A N GLN 212.A O no hydrogen 2.967 N/A SER 157.A N GLN 210.A O no hydrogen 2.810 N/A TRP 158.A NE1 SER 191.A OG no hydrogen 2.747 N/A TRP 159.A N ARG 208.A O no hydrogen 2.927 N/A TRP 159.A NE1 SER 157.A OG no hydrogen 2.900 N/A VAL 160.A N LYS 163.A O no hydrogen 2.887 N/A ASN 161.A N HIS 206.A O no hydrogen 2.785 N/A ASN 161.A ND2 ASN 205.A OD1 no hydrogen 2.804 N/A LYS 163.A N VAL 160.A O no hydrogen 2.981 N/A VAL 165.A N TRP 158.A O no hydrogen 3.131 N/A CYS 170.A N ARG 192.A O no hydrogen 3.175 N/A THR 171.A OG1 SER 191.A OG no hydrogen 2.790 N/A ASP 172.A N SER 190.A O no hydrogen 3.138 N/A LEU 176.A N ALA 188.A O no hydrogen 2.815 N/A GLU 178.A N ARG 186.A O no hydrogen 2.938 N/A GLN 179.A N SER 185.A OG no hydrogen 2.788 N/A LEU 182.A N GLN 179.A O no hydrogen 2.884 N/A SER 185.A OG GLN 179.A OE1.A no hydrogen 3.533 N/A SER 185.A OG ARG 186.A O no hydrogen 2.840 N/A ARG 186.A N GLN 179.A OE1.A no hydrogen 3.016 N/A ARG 186.A NE ASN 118.A OD1 no hydrogen 3.215 N/A ARG 186.A NH1 ASN 118.A OD1 no hydrogen 3.285 N/A TYR 187.A N PHE 149.A O no hydrogen 2.766 N/A ALA 188.A N LEU 176.A O no hydrogen 2.959 N/A LEU 189.A N ALA 146.A O no hydrogen 2.755 N/A SER 190.A N ASP 172.A OD2 no hydrogen 2.909 N/A SER 190.A OG ASP 172.A OD1 no hydrogen 3.086 N/A SER 190.A OG ASP 172.A OD2 no hydrogen 2.367 N/A SER 191.A N CYS 144.A O no hydrogen 2.987 N/A SER 191.A OG CYS 170.A O no hydrogen 3.293 N/A SER 191.A OG THR 171.A OG1 no hydrogen 2.790 N/A ARG 192.A N CYS 170.A O no hydrogen 2.980 N/A ARG 192.A NH1 ASP 172.A OD1 no hydrogen 3.322 N/A ARG 192.A NH2 ASP 172.A OD1 no hydrogen 2.872 N/A LEU 193.A N LEU 142.A O no hydrogen 2.891 N/A ARG 194.A N GLY 168.A O no hydrogen 2.695 N/A VAL 195.A N ALA 140.A O no hydrogen 2.964 N/A ALA 197.A N GLN 138.A O no hydrogen 2.909 N/A PHE 199.A N SER 196.A OG no hydrogen 3.077 N/A TRP 200.A N SER 196.A O no hydrogen 3.076 N/A GLN 201.A N ALA 197.A O no hydrogen 2.950 N/A ASN 202.A N THR 198.A O no hydrogen 3.281 N/A ARG 204.A N ASN 202.A OD1 no hydrogen 2.692 N/A ASN 205.A N ASN 202.A O no hydrogen 3.404 N/A ASN 205.A ND2 PHE 199.A O no hydrogen 2.690 N/A HIS 206.A N ASN 161.A OD1 no hydrogen 2.775 N/A PHE 207.A N ALA 238.A O no hydrogen 2.922 N/A ARG 208.A N TRP 159.A O no hydrogen 2.874 N/A ARG 208.A NH1 GLN 210.A OE1 no hydrogen 3.054 N/A ARG 208.A NH2 GLN 210.A OE1 no hydrogen 2.916 N/A CYS 209.A N ALA 236.A O no hydrogen 2.796 N/A GLN 210.A N SER 157.A O no hydrogen 2.820 N/A VAL 211.A N VAL 234.A O no hydrogen 2.828 N/A GLN 212.A N GLU 155.A O no hydrogen 2.896 N/A GLN 212.A NE2 PHE 213.A O no hydrogen 3.276 N/A PHE 213.A N GLN 232.A O no hydrogen 2.738 N/A TYR 214.A N HIS 153.A O no hydrogen 2.882 N/A TYR 214.A OH GLU 155.A OE2 no hydrogen 2.874 N/A GLY 215.A N THR 231.A OG1 no hydrogen 2.946 N/A LEU 216.A N PRO 229.A O no hydrogen 3.016 N/A SER 217.A N ASP 220.A OD2 no hydrogen 2.590 N/A SER 217.A OG ASP 220.A OD2 no hydrogen 3.000 N/A ASP 220.A N SER 217.A O no hydrogen 3.236 N/A TRP 222.A NE1 ARG 226.A O no hydrogen 2.955 N/A GLN 224.A NE2 THR 223.A OG1 no hydrogen 3.419 N/A ARG 226.A NH1 VAL 119.A O no hydrogen 2.857 N/A ARG 226.A NH2 LYS 117.A O no hydrogen 2.872 N/A ARG 226.A NH2 VAL 119.A O no hydrogen 2.895 N/A LYS 228.A NZ SER 217.A O no hydrogen 2.904 N/A LYS 228.A NZ ASP 220.A O no hydrogen 2.653 N/A VAL 230.A N LYS 228.A O no hydrogen 2.787 N/A THR 231.A N LEU 216.A O no hydrogen 3.258 N/A GLN 232.A N PHE 213.A O no hydrogen 3.020 N/A GLN 232.A NE2 VAL 230.A O no hydrogen 2.668 N/A VAL 234.A N VAL 211.A O no hydrogen 2.916 N/A ALA 236.A N CYS 209.A O no hydrogen 3.006 N/A ALA 238.A N PHE 207.A O no hydrogen 2.843 N/A GLY 240.A N ASN 205.A O no hydrogen 3.029 N/A