Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hqr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASP 29.A O no hydrogen 3.057 N/A LEU 10.A N PRO 6.A O no hydrogen 3.232 N/A ALA 11.A N ALA 7.A O no hydrogen 2.687 N/A LEU 12.A N LEU 8.A O no hydrogen 2.939 N/A GLU 13.A N LYS 9.A O no hydrogen 2.765 N/A TYR 14.A OH VAL 26.A O no hydrogen 2.532 N/A ILE 15.A N LEU 10.A O no hydrogen 2.916 N/A VAL 16.A N ALA 11.A O no hydrogen 2.626 N/A CYS 18.A N TYR 14.A O no hydrogen 2.581 N/A CYS 18.A SG.A ILE 24.A O no hydrogen 2.981 N/A CYS 18.A SG.B TYR 14.A OH no hydrogen 3.850 N/A CYS 18.A SG.B HIS 22.A ND1 no hydrogen 3.830 N/A CYS 18.A SG.B ILE 24.A O no hydrogen 3.438 N/A MET 19.A N ILE 15.A O no hydrogen 2.534 N/A ASN 20.A N VAL 16.A O no hydrogen 2.853 N/A ASN 20.A ND2 LYS 103.A O no hydrogen 2.878 N/A LYS 21.A N PRO 17.A O no hydrogen 2.933 N/A HIS 22.A N CYS 18.A O no hydrogen 2.709 N/A CYS 25.A N PHE 182.A O no hydrogen 2.504 N/A CYS 25.A SG.A ILE 15.A O no hydrogen 3.961 N/A VAL 27.A N LEU 180.A O no hydrogen 2.720 N/A PHE 30.A N ASP 178.A O no hydrogen 2.790 N/A LEU 31.A N ASP 178.A OD2 no hydrogen 2.621 N/A GLY 32.A N ASP 178.A OD1 no hydrogen 2.484 N/A GLY 32.A N ASP 178.A OD2 no hydrogen 3.189 N/A THR 35.A OG1 GLU 34.A OE1 no hydrogen 3.505 N/A GLY 36.A N GLY 32.A O no hydrogen 2.839 N/A GLN 37.A N LYS 33.A O no hydrogen 2.814 N/A GLN 38.A N GLU 34.A O no hydrogen 2.976 N/A ILE 39.A N THR 35.A O no hydrogen 2.856 N/A GLY 40.A N GLY 36.A O no hydrogen 2.853 N/A ASP 41.A N GLN 37.A O no hydrogen 2.753 N/A ASP 41.A N GLN 38.A O no hydrogen 3.068 N/A GLU 42.A N GLN 38.A O no hydrogen 2.886 N/A VAL 43.A N ILE 39.A O no hydrogen 2.744 N/A ARG 44.A N GLY 40.A O no hydrogen 3.134 N/A ARG 44.A NH2 ASP 41.A OD2 no hydrogen 3.171 N/A ALA 45.A N ASP 41.A O no hydrogen 2.800 N/A LEU 46.A N GLU 42.A O no hydrogen 2.799 N/A HIS 47.A N VAL 43.A O no hydrogen 2.678 N/A ASP 48.A N ARG 44.A O no hydrogen 2.744 N/A THR 49.A N LEU 46.A O no hydrogen 3.107 N/A THR 49.A OG1 LEU 46.A O no hydrogen 2.460 N/A GLY 50.A N HIS 47.A O no hydrogen 2.803 N/A LYS 51.A N THR 49.A OG1 no hydrogen 3.135 N/A THR 53.A N ILE 73.A O no hydrogen 2.699 N/A THR 53.A OG1 ILE 73.A O no hydrogen 3.343 N/A GLY 55.A N ASP 71.A O no hydrogen 2.783 N/A GLN 56.A NE2 ASP 54.A O no hydrogen 2.986 N/A SER 62.A OG ASP 67.A OD1 no hydrogen 3.167 N/A SER 64.A N ASP 67.A OD1 no hydrogen 2.993 N/A SER 65.A OG GLY 55.A O no hydrogen 3.365 N/A LYS 66.A N SER 64.A OG no hydrogen 2.846 N/A ASP 67.A N SER 64.A O no hydrogen 2.920 N/A ILE 68.A N SER 65.A O no hydrogen 2.887 N/A ARG 69.A N SER 65.A O no hydrogen 2.869 N/A ARG 69.A NE ASP 71.A OD2 no hydrogen 2.918 N/A ARG 69.A NH1 GLN 56.A O no hydrogen 2.768 N/A ARG 69.A NH2 ASP 71.A OD1 no hydrogen 2.794 N/A GLY 70.A N GLY 126.A O no hydrogen 2.623 N/A LYS 72.A N CYS 119.A O no hydrogen 2.702 N/A LYS 72.A NZ ASP 54.A OD1 no hydrogen 2.729 N/A ILE 73.A N THR 53.A O no hydrogen 2.776 N/A THR 74.A N VAL 117.A O no hydrogen 2.922 N/A ILE 76.A N ALA 115.A O no hydrogen 2.865 N/A GLU 77.A N GLU 80.A OE1 no hydrogen 2.771 N/A GLY 78.A N GLU 80.A OE2 no hydrogen 2.945 N/A GLU 80.A N GLU 80.A OE2 no hydrogen 2.632 N/A CYS 83.A N GLU 80.A O no hydrogen 3.100 N/A THR 85.A N GLU 42.A OE2 no hydrogen 2.891 N/A THR 85.A OG1 GLU 42.A OE2 no hydrogen 2.671 N/A ILE 86.A N GLU 42.A OE1 no hydrogen 2.783 N/A GLY 87.A N CYS 83.A O no hydrogen 2.882 N/A LEU 88.A N GLU 84.A O no hydrogen 2.874 N/A LEU 89.A N THR 85.A O no hydrogen 2.852 N/A MET 90.A N ILE 86.A O no hydrogen 2.787 N/A SER 91.A N GLY 87.A O no hydrogen 2.769 N/A SER 91.A OG GLY 87.A O no hydrogen 3.282 N/A SER 91.A OG LEU 88.A O no hydrogen 2.554 N/A SER 92.A N LEU 88.A O no hydrogen 2.893 N/A SER 92.A OG LEU 88.A O no hydrogen 2.873 N/A MET 93.A N LEU 89.A O no hydrogen 2.785 N/A ASP 94.A N MET 90.A O no hydrogen 2.852 N/A ASP 95.A N SER 91.A O no hydrogen 2.871 N/A LEU 96.A N SER 92.A O no hydrogen 3.022 N/A ILE 97.A N MET 93.A O no hydrogen 3.018 N/A ARG 98.A N ASP 94.A O no hydrogen 2.771 N/A HIS 99.A N ASP 95.A O no hydrogen 2.932 N/A HIS 99.A ND1 ASP 95.A O no hydrogen 2.907 N/A CYS 100.A N ILE 97.A O no hydrogen 3.070 N/A CYS 100.A SG LEU 96.A O no hydrogen 3.098 N/A ASN 101.A N ARG 98.A O no hydrogen 3.064 N/A LYS 103.A N CYS 100.A O no hydrogen 2.806 N/A GLY 105.A N ASN 20.A OD1 no hydrogen 3.024 N/A TYR 107.A N LEU 104.A O no hydrogen 3.042 N/A LYS 108.A N ASP 209.A OD1 no hydrogen 2.785 N/A LYS 108.A NZ ILE 109.A O no hydrogen 2.523 N/A ASN 110.A N PHE 208.A O no hydrogen 3.309 N/A ARG 112.A NE ASP 94.A OD1 no hydrogen 2.931 N/A ARG 112.A NE ASP 94.A OD2 no hydrogen 2.774 N/A ARG 112.A NH1 THR 113.A O no hydrogen 2.761 N/A ARG 112.A NH2 ASP 94.A OD1 no hydrogen 3.266 N/A THR 113.A N TRP 206.A O no hydrogen 2.918 N/A THR 113.A OG1 LYS 114.A O no hydrogen 2.769 N/A ALA 115.A N ILE 76.A O no hydrogen 2.749 N/A MET 116.A N THR 204.A O no hydrogen 2.514 N/A VAL 117.A N THR 74.A O no hydrogen 2.717 N/A ALA 118.A N ALA 202.A O no hydrogen 2.620 N/A CYS 119.A N LYS 72.A O no hydrogen 2.809 N/A TYR 120.A N ARG 200.A O no hydrogen 2.835 N/A GLY 124.A N ALA 196.A O no hydrogen 2.751 N/A THR 125.A OG1 GLY 70.A O no hydrogen 2.910 N/A TYR 127.A N VAL 193.A O no hydrogen 2.822 N/A VAL 128.A N ILE 68.A O no hydrogen 2.731 N/A HIS 130.A N HIS 191.A O no hydrogen 2.719 N/A HIS 130.A ND1 VAL 128.A O no hydrogen 2.768 N/A ASN 133.A N SER 185.A O no hydrogen 2.894 N/A ASN 133.A ND2 ARG 139.A O no hydrogen 2.676 N/A ASN 133.A ND2 GLU 212.A OE1 no hydrogen 2.678 N/A GLY 136.A N ASN 133.A OD1 no hydrogen 2.661 N/A ASP 137.A N ASN 133.A OD1 no hydrogen 2.635 N/A GLY 138.A N GLU 212.A OE1 no hydrogen 3.006 N/A ARG 139.A N ASP 137.A OD2 no hydrogen 2.800 N/A ARG 139.A NE ASP 137.A OD1 no hydrogen 2.504 N/A ARG 139.A NE ASP 137.A OD2 no hydrogen 3.341 N/A ARG 139.A NH2 ASP 137.A OD1 no hydrogen 2.617 N/A CYS 140.A N TYR 207.A O no hydrogen 2.904 N/A CYS 140.A SG TYR 207.A O no hydrogen 3.493 N/A VAL 141.A N TYR 207.A O no hydrogen 3.442 N/A THR 142.A N PHE 183.A O no hydrogen 2.794 N/A THR 142.A OG1 ASP 132.A OD2 no hydrogen 2.611 N/A THR 142.A OG1 SER 185.A OG no hydrogen 2.756 N/A CYS 143.A N VAL 205.A O no hydrogen 2.782 N/A CYS 143.A SG LEU 181.A O no hydrogen 3.835 N/A ILE 144.A N LEU 181.A O no hydrogen 2.628 N/A TYR 145.A N ILE 203.A O no hydrogen 2.716 N/A TYR 145.A OH ASP 178.A OD2 no hydrogen 2.525 N/A TYR 146.A N ARG 179.A O no hydrogen 2.790 N/A LEU 147.A N TYR 201.A O no hydrogen 3.111 N/A ASN 148.A ND2 PRO 175.A O no hydrogen 2.592 N/A ASN 148.A ND2 TYR 201.A O no hydrogen 3.113 N/A TRP 151.A NE1 GLY 157.A O no hydrogen 2.568 N/A LYS 154.A N ASP 152.A OD1 no hydrogen 3.125 N/A VAL 155.A N ASP 152.A O no hydrogen 2.759 N/A SER 156.A N ASP 152.A O no hydrogen 2.694 N/A GLY 157.A N ALA 153.A O no hydrogen 2.676 N/A GLY 158.A N PRO 195.A O no hydrogen 2.786 N/A LEU 160.A N ILE 173.A O no hydrogen 2.828 N/A ARG 161.A N GLU 192.A O no hydrogen 2.698 N/A ARG 161.A NE ASP 172.A OD1 no hydrogen 2.720 N/A ARG 161.A NH2 ASP 172.A OD2 no hydrogen 2.958 N/A ILE 162.A N ALA 171.A O no hydrogen 2.830 N/A PHE 163.A N PRO 190.A O no hydrogen 2.689 N/A GLU 165.A N ARG 188.A O no hydrogen 2.489 N/A LYS 167.A N PRO 164.A O no hydrogen 3.216 N/A LYS 167.A NZ GLU 165.A O no hydrogen 3.489 N/A GLN 169.A N GLN 169.A OE1 no hydrogen 2.498 N/A ALA 171.A N ILE 162.A O no hydrogen 2.711 N/A ILE 173.A N LEU 160.A O no hydrogen 2.766 N/A PHE 177.A N ASN 148.A O no hydrogen 2.906 N/A ASP 178.A N TYR 146.A O no hydrogen 2.926 N/A ARG 179.A N LYS 176.A O no hydrogen 3.008 N/A ARG 179.A NE ASP 28.A OD1 no hydrogen 2.612 N/A ARG 179.A NH1 GLU 174.A O no hydrogen 3.221 N/A ARG 179.A NH2 ASP 28.A OD1 no hydrogen 2.958 N/A ARG 179.A NH2 ASP 28.A OD2 no hydrogen 2.927 N/A LEU 180.A N VAL 27.A O no hydrogen 2.654 N/A LEU 181.A N ILE 144.A O no hydrogen 2.491 N/A PHE 182.A N CYS 25.A O no hydrogen 2.662 N/A PHE 183.A N THR 142.A O no hydrogen 3.047 N/A TRP 184.A N GLY 23.A O no hydrogen 2.907 N/A SER 185.A N CYS 140.A O no hydrogen 2.793 N/A SER 185.A OG THR 142.A OG1 no hydrogen 2.756 N/A ARG 187.A NE PRO 134.A O no hydrogen 2.851 N/A ARG 187.A NH1 PRO 134.A O no hydrogen 3.152 N/A ARG 188.A N ASP 186.A OD1 no hydrogen 2.845 N/A ARG 188.A NE ASP 186.A OD1 no hydrogen 3.159 N/A ARG 188.A NE ASP 186.A OD2 no hydrogen 3.377 N/A ARG 188.A NH2 ASP 186.A OD2 no hydrogen 3.018 N/A ASN 189.A N ASP 186.A O no hydrogen 3.147 N/A ASN 189.A ND2 GLY 23.A O no hydrogen 3.073 N/A ASN 189.A ND2 TRP 184.A O no hydrogen 2.959 N/A HIS 191.A N HIS 130.A O no hydrogen 2.790 N/A HIS 191.A ND1 ASN 189.A O no hydrogen 2.776 N/A GLU 192.A N ARG 161.A O no hydrogen 2.774 N/A VAL 193.A N TYR 127.A O no hydrogen 2.928 N/A GLN 194.A N ILE 159.A O no hydrogen 2.655 N/A ALA 196.A N THR 125.A O no hydrogen 2.786 N/A TYR 197.A N SER 156.A O no hydrogen 2.691 N/A THR 199.A OG1 PRO 121.A O no hydrogen 3.106 N/A ARG 200.A N TYR 120.A O no hydrogen 2.932 N/A ARG 200.A NE GLY 158.A O no hydrogen 2.546 N/A ARG 200.A NH2 GLY 158.A O no hydrogen 3.076 N/A TYR 201.A N ASN 148.A OD1 no hydrogen 2.689 N/A ALA 202.A N ALA 118.A O no hydrogen 3.005 N/A ILE 203.A N TYR 145.A O no hydrogen 2.742 N/A THR 204.A N MET 116.A O no hydrogen 2.839 N/A VAL 205.A N CYS 143.A O no hydrogen 2.814 N/A TRP 206.A N THR 113.A OG1 no hydrogen 3.057 N/A TRP 206.A NE1 ASP 132.A OD2 no hydrogen 2.879 N/A TYR 207.A N VAL 141.A O no hydrogen 2.729 N/A TYR 207.A OH ASP 94.A OD2 no hydrogen 2.599 N/A PHE 208.A N GLY 111.A O no hydrogen 2.651 N/A ASP 209.A N GLY 138.A O no hydrogen 2.885 N/A ALA 210.A N LYS 108.A O no hydrogen 2.698 N/A GLU 212.A N ASP 209.A OD2 no hydrogen 2.897 N/A ARG 213.A N ASP 209.A O no hydrogen 2.804 N/A ARG 213.A NH1 ASP 137.A O no hydrogen 2.639 N/A ARG 213.A NH1 TYR 220.A OH.B no hydrogen 3.509 N/A ALA 214.A N ALA 210.A O no hydrogen 2.764 N/A ALA 215.A N ASP 211.A O no hydrogen 2.849 N/A LYS 217.A N ARG 213.A O no hydrogen 2.812 N/A VAL 218.A N ALA 214.A O no hydrogen 3.264 N/A LYS 219.A N ALA 215.A O no hydrogen 3.072 N/A TYR 220.A N ALA 216.A O no hydrogen 2.812 N/A LEU 221.A N LYS 217.A O no hydrogen 3.145 N/A THR 222.A OG1 VAL 218.A O no hydrogen 3.238 N/A