Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qeq_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N HIS 24.A O no hydrogen 2.915 N/A GLN 6.A NE2 TYR 89.A O no hydrogen 3.094 N/A GLN 6.A NE2 THR 108.A OG1 no hydrogen 3.093 N/A SER 7.A N ARG 22.A O no hydrogen 2.958 N/A ARG 9.A NE GLY 107.A O no hydrogen 3.049 N/A HIS 10.A NE2 GLU 155.A OE2 no hydrogen 2.819 N/A LYS 11.A N ARG 109.A O no hydrogen 2.995 N/A THR 13.A N SER 111.A O no hydrogen 3.162 N/A THR 13.A OG1 THR 17.A OG1 no hydrogen 3.367 N/A THR 13.A OG1 ASP 220.A OD2 no hydrogen 3.468 N/A THR 15.A N LEU 113.A O no hydrogen 2.986 N/A THR 15.A OG1 LEU 113.A O no hydrogen 3.447 N/A GLY 16.A N ALA 81.A O no hydrogen 3.207 N/A THR 17.A OG1 THR 13.A OG1 no hydrogen 3.367 N/A THR 17.A OG1 GLU 14.A O no hydrogen 3.056 N/A LEU 21.A N LEU 76.A O no hydrogen 2.648 N/A ARG 22.A N SER 7.A O no hydrogen 2.808 N/A CYS 23.A N PHE 74.A O no hydrogen 3.174 N/A HIS 24.A N THR 5.A O no hydrogen 2.933 N/A HIS 24.A ND1 ASP 73.A OD2 no hydrogen 3.174 N/A GLN 25.A N GLU 72.A O no hydrogen 2.946 N/A GLU 27.A N GLN 25.A OE1 no hydrogen 2.507 N/A ARG 30.A NE GLU 95.A OE1 no hydrogen 2.749 N/A ARG 30.A NH2 GLU 95.A OE1 no hydrogen 2.734 N/A TYR 31.A N SER 94.A O no hydrogen 2.795 N/A TYR 31.A OH GLY 97.A O no hydrogen 3.027 N/A MET 32.A N SER 49.A O no hydrogen 2.946 N/A TYR 33.A N ALA 92.A O no hydrogen 2.907 N/A TRP 34.A N HIS 47.A O no hydrogen 2.764 N/A TRP 34.A NE1 PHE 74.A O no hydrogen 3.043 N/A TYR 35.A N PHE 90.A O no hydrogen 2.704 N/A TYR 35.A OH GLN 102.A OE1 no hydrogen 2.417 N/A ARG 36.A N ARG 44.A O no hydrogen 3.006 N/A ARG 36.A NE ASP 38.A OD2 no hydrogen 2.717 N/A ARG 36.A NH1 TYR 64.A OH no hydrogen 2.829 N/A ARG 36.A NH1 SER 84.A O no hydrogen 3.077 N/A ARG 36.A NH2 ASP 38.A OD1 no hydrogen 2.887 N/A ARG 36.A NH2 ASP 38.A OD2 no hydrogen 3.270 N/A ARG 36.A NH2 SER 84.A O no hydrogen 2.995 N/A GLN 37.A N VAL 88.A O no hydrogen 2.886 N/A HIS 41.A N ASP 38.A O no hydrogen 3.220 N/A ARG 44.A N ARG 36.A O no hydrogen 2.933 N/A ARG 44.A NH2 ASP 38.A OD2 no hydrogen 2.988 N/A LEU 45.A N GLU 59.A OE1 no hydrogen 3.219 N/A ILE 46.A N TRP 34.A O no hydrogen 2.774 N/A HIS 47.A ND1 ASP 56.A O no hydrogen 3.259 N/A HIS 47.A NE2 TYR 64.A O no hydrogen 3.225 N/A TYR 48.A N ASP 56.A O no hydrogen 2.986 N/A SER 49.A N MET 32.A O no hydrogen 2.779 N/A SER 49.A OG GLY 51.A O no hydrogen 3.050 N/A SER 49.A OG ASP 54.A O no hydrogen 2.923 N/A GLY 51.A N SER 49.A OG no hydrogen 3.360 N/A LYS 53.A N ARG 68.A O no hydrogen 2.839 N/A ASP 54.A N GLY 51.A O no hydrogen 3.101 N/A ASP 56.A N TYR 48.A O no hydrogen 2.876 N/A LYS 57.A N ASP 56.A OD1 no hydrogen 2.984 N/A GLY 58.A N ILE 46.A O no hydrogen 2.835 N/A VAL 60.A N LEU 45.A O no hydrogen 3.116 N/A SER 61.A OG GLY 58.A O no hydrogen 3.511 N/A TYR 64.A N SER 61.A O no hydrogen 2.944 N/A TYR 64.A OH TYR 89.A OH no hydrogen 2.676 N/A SER 65.A N THR 77.A O no hydrogen 3.147 N/A SER 65.A OG GLU 79.A OE2 no hydrogen 2.618 N/A SER 67.A N LEU 75.A O no hydrogen 2.867 N/A ARG 68.A NH1 ARG 30.A O no hydrogen 3.155 N/A ARG 68.A NH1 SER 49.A OG no hydrogen 3.011 N/A ARG 68.A NH2 ARG 30.A O no hydrogen 3.136 N/A ARG 68.A NH2 THR 71.A O no hydrogen 2.802 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.981 N/A ASP 73.A N LYS 70.A O no hydrogen 3.313 N/A PHE 74.A N CYS 23.A O no hydrogen 3.130 N/A LEU 75.A N SER 67.A O no hydrogen 2.920 N/A LEU 76.A N LEU 21.A O no hydrogen 2.811 N/A THR 77.A N SER 65.A O no hydrogen 2.901 N/A LEU 78.A N VAL 19.A O no hydrogen 2.655 N/A GLU 79.A N GLY 63.A O no hydrogen 3.044 N/A SER 80.A N GLY 63.A O no hydrogen 3.261 N/A SER 80.A OG GLY 63.A O no hydrogen 3.271 N/A THR 82.A N GLN 85.A OE1 no hydrogen 3.327 N/A GLN 85.A N THR 82.A O no hydrogen 2.878 N/A GLN 85.A NE2 GLY 63.A O no hydrogen 3.229 N/A THR 86.A N SER 83.A O no hydrogen 3.235 N/A THR 86.A OG1 SER 83.A O no hydrogen 3.086 N/A SER 87.A N LEU 110.A O no hydrogen 3.030 N/A SER 87.A OG GLN 37.A O no hydrogen 2.712 N/A SER 87.A OG ASP 38.A OD1 no hydrogen 2.728 N/A SER 87.A OG ASP 38.A OD2 no hydrogen 3.450 N/A SER 87.A OG VAL 88.A O no hydrogen 3.305 N/A VAL 88.A N GLN 37.A O no hydrogen 3.437 N/A TYR 89.A N THR 108.A O no hydrogen 2.790 N/A TYR 89.A OH TYR 64.A OH no hydrogen 2.676 N/A TYR 89.A OH GLN 85.A O no hydrogen 2.659 N/A PHE 90.A N TYR 35.A O no hydrogen 2.791 N/A CYS 91.A N GLN 6.A OE1 no hydrogen 2.782 N/A CYS 91.A SG TYR 33.A O no hydrogen 3.734 N/A CYS 91.A SG ALA 92.A O no hydrogen 3.911 N/A ALA 92.A N TYR 33.A O no hydrogen 2.983 N/A ILE 93.A N HIS 103.A O no hydrogen 2.820 N/A SER 94.A N TYR 31.A O no hydrogen 2.881 N/A SER 94.A OG GLU 95.A O no hydrogen 3.219 N/A SER 94.A OG GLN 100.A O no hydrogen 3.435 N/A GLN 100.A NE2 VAL 98.A O no hydrogen 3.119 N/A HIS 103.A N ILE 93.A O no hydrogen 2.913 N/A GLY 105.A N CYS 91.A O no hydrogen 2.768 N/A THR 108.A N TYR 89.A O no hydrogen 2.880 N/A THR 108.A OG1 PRO 8.A O no hydrogen 2.671 N/A ARG 109.A N ARG 9.A O no hydrogen 2.776 N/A LEU 110.A N SER 87.A O no hydrogen 2.993 N/A SER 111.A N LYS 11.A O no hydrogen 3.113 N/A SER 111.A OG HIS 153.A NE2 no hydrogen 2.943 N/A ILE 112.A N THR 86.A OG1 no hydrogen 2.815 N/A LEU 113.A N THR 13.A O no hydrogen 3.008 N/A VAL 119.A N LEU 116.A O no hydrogen 2.998 N/A PHE 120.A N TYR 150.A O no hydrogen 2.984 N/A GLU 123.A N THR 147.A O no hydrogen 2.887 N/A ALA 125.A N LEU 145.A O no hydrogen 2.902 N/A PHE 127.A N VAL 143.A O no hydrogen 2.730 N/A ILE 134.A N SER 130.A O no hydrogen 3.261 N/A SER 135.A N GLU 131.A O no hydrogen 3.110 N/A SER 135.A OG GLU 131.A O no hydrogen 2.954 N/A SER 135.A OG ALA 132.A O no hydrogen 3.168 N/A HIS 136.A N ALA 132.A O no hydrogen 2.844 N/A THR 137.A N GLU 133.A O no hydrogen 2.966 N/A THR 137.A OG1 GLU 133.A O no hydrogen 2.649 N/A GLN 138.A N ILE 134.A O no hydrogen 3.040 N/A LYS 139.A N THR 137.A OG1 no hydrogen 3.110 N/A LYS 139.A NZ THR 137.A O no hydrogen 3.488 N/A ALA 140.A N VAL 195.A O no hydrogen 2.796 N/A THR 141.A N GLU 133.A OE1 no hydrogen 3.126 N/A THR 141.A OG1 GLU 133.A OE1 no hydrogen 3.416 N/A THR 141.A OG1 GLU 133.A OE2 no hydrogen 2.540 N/A LEU 142.A N LEU 193.A O no hydrogen 2.797 N/A VAL 143.A N PHE 127.A O no hydrogen 3.124 N/A CYS 144.A N SER 191.A O no hydrogen 2.932 N/A CYS 144.A SG ALA 125.A O no hydrogen 3.885 N/A LEU 145.A N ALA 125.A O no hydrogen 2.794 N/A ALA 146.A N LEU 189.A O no hydrogen 2.980 N/A THR 147.A N GLU 123.A O no hydrogen 2.780 N/A GLY 148.A N GLU 178.A OE2 no hydrogen 2.903 N/A PHE 149.A N TYR 187.A O no hydrogen 3.111 N/A TYR 150.A N PHE 120.A O no hydrogen 2.867 N/A HIS 153.A N PRO 151.A O no hydrogen 3.061 N/A HIS 153.A NE2 SER 111.A OG no hydrogen 2.943 N/A GLU 155.A N GLN 212.A O no hydrogen 2.950 N/A SER 157.A N GLN 210.A O no hydrogen 2.948 N/A TRP 158.A NE1 SER 191.A OG no hydrogen 2.814 N/A TRP 159.A N ARG 208.A O no hydrogen 2.665 N/A TRP 159.A NE1 SER 157.A OG no hydrogen 2.906 N/A VAL 160.A N LYS 163.A O no hydrogen 2.789 N/A ASN 161.A N HIS 206.A O no hydrogen 2.846 N/A ASN 161.A ND2 ASN 205.A OD1 no hydrogen 2.892 N/A LYS 163.A N VAL 160.A O no hydrogen 3.306 N/A VAL 165.A N TRP 158.A O no hydrogen 3.032 N/A VAL 169.A N HIS 166.A O no hydrogen 3.459 N/A CYS 170.A N ARG 192.A O no hydrogen 3.110 N/A THR 171.A OG1 SER 191.A OG no hydrogen 2.867 N/A ASP 172.A N SER 190.A O no hydrogen 3.095 N/A LEU 176.A N ALA 188.A O no hydrogen 2.822 N/A LYS 177.A NZ LEU 182.A O no hydrogen 2.812 N/A GLU 178.A N ARG 186.A O no hydrogen 3.023 N/A GLN 179.A N SER 185.A OG no hydrogen 3.296 N/A LEU 182.A N GLN 179.A O no hydrogen 2.936 N/A SER 185.A OG GLN 179.A O no hydrogen 3.487 N/A SER 185.A OG ARG 186.A O no hydrogen 2.866 N/A ARG 186.A NE GLY 148.A O no hydrogen 3.310 N/A ARG 186.A NH1 GLY 148.A O no hydrogen 3.231 N/A TYR 187.A N PHE 149.A O no hydrogen 2.780 N/A ALA 188.A N LEU 176.A O no hydrogen 2.844 N/A LEU 189.A N ALA 146.A O no hydrogen 2.881 N/A SER 190.A N ASP 172.A OD2 no hydrogen 2.942 N/A SER 190.A OG ASP 172.A OD1 no hydrogen 3.139 N/A SER 190.A OG ASP 172.A OD2 no hydrogen 2.692 N/A SER 191.A N CYS 144.A O no hydrogen 3.053 N/A SER 191.A OG CYS 170.A O no hydrogen 3.534 N/A SER 191.A OG THR 171.A OG1 no hydrogen 2.867 N/A ARG 192.A N CYS 170.A O no hydrogen 2.902 N/A ARG 192.A NH1 ASP 172.A OD1 no hydrogen 3.198 N/A ARG 192.A NH1 SER 190.A OG no hydrogen 2.710 N/A ARG 192.A NH2 ASP 172.A OD1 no hydrogen 3.224 N/A LEU 193.A N LEU 142.A O no hydrogen 2.956 N/A ARG 194.A N GLY 168.A O no hydrogen 2.914 N/A ARG 194.A NE GLU 133.A OE2 no hydrogen 3.264 N/A VAL 195.A N ALA 140.A O no hydrogen 2.812 N/A ALA 197.A N GLN 138.A O no hydrogen 3.029 N/A PHE 199.A N SER 196.A OG no hydrogen 3.220 N/A TRP 200.A N SER 196.A O no hydrogen 3.136 N/A GLN 201.A N ALA 197.A O no hydrogen 2.701 N/A ASP 202.A N THR 198.A O no hydrogen 3.084 N/A ARG 204.A N ASP 202.A OD1 no hydrogen 3.109 N/A ARG 204.A NE ASP 202.A OD1 no hydrogen 3.199 N/A ARG 204.A NH1 ASP 202.A OD2 no hydrogen 2.825 N/A ASN 205.A N ASP 202.A O no hydrogen 3.453 N/A ASN 205.A ND2 PHE 199.A O no hydrogen 2.665 N/A HIS 206.A N ASN 161.A OD1 no hydrogen 2.763 N/A PHE 207.A N ALA 238.A O no hydrogen 2.858 N/A ARG 208.A N TRP 159.A O no hydrogen 2.664 N/A ARG 208.A NH2 GLN 210.A OE1 no hydrogen 2.699 N/A CYS 209.A N ALA 236.A O no hydrogen 2.955 N/A GLN 210.A N SER 157.A O no hydrogen 2.771 N/A VAL 211.A N VAL 234.A O no hydrogen 2.783 N/A GLN 212.A N GLU 155.A O no hydrogen 2.934 N/A GLN 212.A NE2 PHE 213.A O no hydrogen 3.004 N/A PHE 213.A N GLN 232.A O no hydrogen 2.746 N/A TYR 214.A N HIS 153.A O no hydrogen 3.017 N/A TYR 214.A OH GLU 155.A OE1 no hydrogen 2.802 N/A GLY 215.A N THR 231.A OG1 no hydrogen 2.864 N/A LEU 216.A N PRO 229.A O no hydrogen 3.233 N/A SER 217.A N ASP 220.A OD1 no hydrogen 2.652 N/A TRP 222.A NE1 ARG 226.A O no hydrogen 2.921 N/A ARG 226.A NH1 ASN 117.A O no hydrogen 2.923 N/A ARG 226.A NH1 VAL 119.A O no hydrogen 2.757 N/A ARG 226.A NH2 VAL 119.A O no hydrogen 2.919 N/A LYS 228.A NZ SER 217.A O no hydrogen 2.834 N/A LYS 228.A NZ GLU 218.A O no hydrogen 3.389 N/A VAL 230.A N LYS 228.A O no hydrogen 2.825 N/A THR 231.A N LEU 216.A O no hydrogen 3.271 N/A GLN 232.A N PHE 213.A O no hydrogen 3.027 N/A GLN 232.A NE2 VAL 230.A O no hydrogen 2.814 N/A VAL 234.A N VAL 211.A O no hydrogen 2.964 N/A ALA 236.A N CYS 209.A O no hydrogen 3.100 N/A ALA 238.A N PHE 207.A O no hydrogen 2.910 N/A GLY 240.A N ASN 205.A O no hydrogen 3.104 N/A ARG 241.A NH2 GLU 128.A OE1 no hydrogen 2.579 N/A