Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3quy_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASN 23.A O no hydrogen 2.889 N/A THR 4.A OG1 ASN 23.A O no hydrogen 3.555 N/A GLN 5.A NE2 TYR 88.A O no hydrogen 2.764 N/A GLN 5.A NE2 THR 105.A OG1 no hydrogen 3.113 N/A SER 6.A N SER 21.A O no hydrogen 2.865 N/A ARG 8.A NE GLY 104.A O no hydrogen 2.939 N/A LYS 10.A N ARG 106.A O no hydrogen 2.811 N/A ALA 12.A N LEU 108.A O no hydrogen 2.759 N/A THR 14.A N LEU 110.A O no hydrogen 2.813 N/A THR 14.A OG1 LEU 110.A O no hydrogen 3.175 N/A GLY 15.A N ALA 80.A O no hydrogen 2.819 N/A GLY 16.A N VAL 13.A O no hydrogen 2.997 N/A VAL 18.A N LEU 77.A O no hydrogen 2.897 N/A LEU 20.A N LEU 75.A O no hydrogen 2.667 N/A SER 21.A N SER 6.A O no hydrogen 2.846 N/A CYS 22.A N PHE 73.A O no hydrogen 3.013 N/A CYS 22.A SG THR 4.A O no hydrogen 3.612 N/A ASN 23.A N THR 4.A O no hydrogen 2.807 N/A GLN 24.A N GLU 71.A O.A no hydrogen 2.996 N/A GLN 24.A N GLU 71.A O.B no hydrogen 2.957 N/A GLN 24.A NE2 HIS 28.A O no hydrogen 3.301 N/A ASN 26.A N GLN 24.A OE1 no hydrogen 2.623 N/A ASN 26.A ND2 ALA 2.A O no hydrogen 3.108 N/A HIS 28.A N GLN 24.A OE1 no hydrogen 3.012 N/A HIS 28.A ND1 SER 92.A OG no hydrogen 2.685 N/A ASN 30.A N GLY 93.A O no hydrogen 3.139 N/A ASN 30.A ND2 GLY 93.A O no hydrogen 3.443 N/A ASN 30.A ND2 ASP 94.A O no hydrogen 2.864 N/A MET 31.A N SER 48.A O no hydrogen 2.843 N/A TYR 32.A N ALA 91.A O no hydrogen 2.769 N/A TRP 33.A N HIS 46.A O no hydrogen 2.855 N/A TRP 33.A NE1 PHE 73.A O no hydrogen 3.236 N/A TYR 34.A N PHE 89.A O no hydrogen 2.805 N/A TYR 34.A OH GLN 99.A OE1 no hydrogen 2.556 N/A ARG 35.A N ARG 43.A O no hydrogen 3.162 N/A ARG 35.A NE ASP 37.A OD2 no hydrogen 2.714 N/A ARG 35.A NH1 SER 83.A O no hydrogen 2.975 N/A ARG 35.A NH2 ASP 37.A OD1 no hydrogen 2.861 N/A ARG 35.A NH2 ASP 37.A OD2 no hydrogen 3.266 N/A ARG 35.A NH2 SER 83.A O no hydrogen 2.924 N/A GLN 36.A N VAL 87.A O no hydrogen 2.753 N/A HIS 40.A N ASP 37.A O no hydrogen 2.922 N/A ARG 43.A N ARG 35.A O no hydrogen 3.039 N/A ARG 43.A NH2 ASP 37.A OD2 no hydrogen 2.807 N/A ILE 45.A N TRP 33.A O no hydrogen 2.933 N/A HIS 46.A NE2 TYR 63.A O no hydrogen 2.821 N/A TYR 47.A N GLU 55.A O no hydrogen 2.845 N/A SER 48.A N MET 31.A O no hydrogen 2.733 N/A SER 48.A OG SER 53.A O no hydrogen 2.539 N/A TYR 49.A N SER 53.A OG no hydrogen 3.311 N/A GLY 50.A N SER 48.A OG no hydrogen 3.267 N/A GLY 52.A N ARG 67.A O no hydrogen 2.629 N/A SER 53.A N GLY 50.A O no hydrogen 3.014 N/A GLU 55.A N TYR 47.A O no hydrogen 2.708 N/A GLY 57.A N ILE 45.A O no hydrogen 2.801 N/A ASP 58.A N LEU 44.A O no hydrogen 2.713 N/A ILE 59.A N LEU 44.A O no hydrogen 2.958 N/A TYR 63.A N PRO 60.A O no hydrogen 3.050 N/A TYR 63.A OH TYR 88.A OH no hydrogen 2.777 N/A LYS 64.A N ILE 76.A O no hydrogen 2.850 N/A SER 66.A N SER 74.A O no hydrogen 3.003 N/A ARG 67.A NE SER 69.A O no hydrogen 3.095 N/A ARG 67.A NH1 ASN 29.A O no hydrogen 2.846 N/A ARG 67.A NH1 SER 48.A OG no hydrogen 2.773 N/A ARG 67.A NH2 HIS 28.A O no hydrogen 3.292 N/A ARG 67.A NH2 ASN 29.A O no hydrogen 2.943 N/A ARG 67.A NH2 GLN 70.A O no hydrogen 2.955 N/A GLN 70.A NE2 ASN 27.A O no hydrogen 3.333 N/A GLN 70.A NE2 ASN 27.A OD1 no hydrogen 3.279 N/A GLN 70.A NE2 ASN 29.A OD1 no hydrogen 2.843 N/A ASN 72.A N SER 69.A OG no hydrogen 3.198 N/A PHE 73.A N CYS 22.A O no hydrogen 2.991 N/A SER 74.A N SER 66.A O no hydrogen 2.879 N/A LEU 75.A N LEU 20.A O no hydrogen 2.678 N/A ILE 76.A N LYS 64.A O no hydrogen 2.837 N/A LEU 77.A N VAL 18.A O no hydrogen 2.698 N/A ALA 80.A N GLY 16.A O no hydrogen 3.063 N/A THR 81.A N GLN 84.A OE1 no hydrogen 2.826 N/A THR 81.A OG1 SER 83.A OG no hydrogen 2.937 N/A THR 81.A OG1 GLN 84.A OE1 no hydrogen 3.508 N/A SER 83.A OG THR 81.A OG1 no hydrogen 2.937 N/A GLN 84.A N THR 81.A O no hydrogen 2.804 N/A GLN 84.A NE2 GLY 62.A O no hydrogen 2.899 N/A THR 85.A N PRO 82.A O no hydrogen 2.985 N/A THR 85.A OG1 PRO 82.A O no hydrogen 3.056 N/A SER 86.A N LEU 107.A O no hydrogen 3.121 N/A SER 86.A OG GLN 36.A O no hydrogen 3.173 N/A SER 86.A OG ASP 37.A OD1 no hydrogen 2.659 N/A SER 86.A OG ASP 37.A OD2 no hydrogen 3.267 N/A VAL 87.A N GLN 36.A O no hydrogen 3.511 N/A TYR 88.A N THR 105.A O no hydrogen 2.808 N/A TYR 88.A OH TYR 63.A OH no hydrogen 2.777 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.540 N/A PHE 89.A N TYR 34.A O no hydrogen 2.782 N/A CYS 90.A N GLN 5.A OE1 no hydrogen 3.191 N/A CYS 90.A SG TYR 32.A O no hydrogen 3.836 N/A CYS 90.A SG ALA 91.A O no hydrogen 3.875 N/A ALA 91.A N TYR 32.A O no hydrogen 2.778 N/A SER 92.A N TYR 100.A O no hydrogen 3.035 N/A SER 92.A OG HIS 28.A ND1 no hydrogen 2.685 N/A GLY 93.A N ASN 30.A O no hydrogen 2.805 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.673 N/A GLY 96.A N ASP 94.A OD1 no hydrogen 2.941 N/A TYR 100.A N SER 92.A O no hydrogen 2.785 N/A GLY 102.A N CYS 90.A O no hydrogen 2.718 N/A GLY 104.A N GLN 5.A OE1 no hydrogen 3.060 N/A THR 105.A N TYR 88.A O no hydrogen 2.815 N/A THR 105.A OG1 PRO 7.A O no hydrogen 2.706 N/A ARG 106.A N ARG 8.A O no hydrogen 2.966 N/A LEU 107.A N SER 86.A O no hydrogen 2.976 N/A LEU 108.A N LYS 10.A O no hydrogen 2.907 N/A VAL 109.A N THR 85.A OG1 no hydrogen 2.998 N/A LEU 110.A N ALA 12.A O no hydrogen 2.773 N/A ARG 114.A N ASP 112.A OD2 no hydrogen 2.655 N/A ASN 115.A ND2 ASP 181.A OD2 no hydrogen 2.846 N/A VAL 116.A N LEU 113.A O no hydrogen 3.125 N/A THR 117.A N TYR 147.A O no hydrogen 2.866 N/A THR 117.A OG1 ASN 115.A O no hydrogen 2.715 N/A LYS 120.A N THR 144.A O no hydrogen 2.816 N/A SER 122.A N LEU 142.A O no hydrogen 2.987 N/A PHE 124.A N VAL 140.A O no hydrogen 2.518 N/A ALA 129.A N SER 127.A OG no hydrogen 3.197 N/A ILE 131.A N SER 127.A O no hydrogen 3.167 N/A SER 132.A N LYS 128.A O no hydrogen 3.055 N/A SER 132.A OG LYS 128.A O no hydrogen 3.315 N/A SER 132.A OG ALA 129.A O no hydrogen 3.249 N/A HIS 133.A N ALA 129.A O no hydrogen 2.845 N/A HIS 133.A N GLU 130.A O no hydrogen 3.010 N/A THR 134.A N GLU 130.A O no hydrogen 2.807 N/A THR 134.A OG1 GLU 130.A O no hydrogen 2.857 N/A GLN 135.A N ILE 131.A O no hydrogen 2.883 N/A LYS 136.A N THR 134.A OG1 no hydrogen 2.998 N/A ALA 137.A N VAL 192.A O no hydrogen 2.642 N/A THR 138.A N GLU 130.A OE1 no hydrogen 2.800 N/A THR 138.A OG1 GLU 130.A OE1 no hydrogen 3.415 N/A THR 138.A OG1 GLU 130.A OE2 no hydrogen 2.488 N/A LEU 139.A N LEU 190.A O no hydrogen 2.674 N/A VAL 140.A N PHE 124.A O no hydrogen 2.920 N/A CYS 141.A N SER 188.A O no hydrogen 2.879 N/A CYS 141.A SG SER 122.A O no hydrogen 3.846 N/A LEU 142.A N SER 122.A O no hydrogen 2.917 N/A ALA 143.A N LEU 186.A O no hydrogen 2.922 N/A THR 144.A N LYS 120.A O no hydrogen 2.804 N/A GLY 145.A N GLU 175.A OE2 no hydrogen 2.800 N/A PHE 146.A N TYR 184.A O no hydrogen 3.336 N/A TYR 147.A N THR 117.A O no hydrogen 2.849 N/A HIS 150.A ND1 ASN 9.A OD1 no hydrogen 2.551 N/A VAL 151.A N ASP 149.A O no hydrogen 3.161 N/A GLU 152.A N GLN 209.A O no hydrogen 2.936 N/A SER 154.A N GLN 207.A O no hydrogen 2.809 N/A TRP 155.A NE1 SER 188.A OG no hydrogen 2.927 N/A TRP 156.A N ARG 205.A O no hydrogen 2.878 N/A TRP 156.A NE1 SER 154.A OG no hydrogen 2.683 N/A VAL 157.A N LYS 160.A O no hydrogen 2.781 N/A ASN 158.A N HIS 203.A O no hydrogen 2.853 N/A ASN 158.A ND2 ARG 201.A O no hydrogen 3.677 N/A ASN 158.A ND2 ASN 202.A OD1 no hydrogen 3.304 N/A LYS 160.A N VAL 157.A O no hydrogen 3.119 N/A VAL 162.A N TRP 155.A O no hydrogen 2.868 N/A VAL 166.A N HIS 163.A O no hydrogen 3.249 N/A CYS 167.A N.A ARG 189.A O no hydrogen 3.043 N/A CYS 167.A N.B ARG 189.A O no hydrogen 3.081 N/A THR 168.A OG1 SER 188.A OG no hydrogen 2.584 N/A ASP 169.A N SER 187.A O no hydrogen 3.075 N/A LEU 173.A N SER 185.A O no hydrogen 2.644 N/A GLU 175.A N ARG 183.A O no hydrogen 2.987 N/A GLN 176.A N SER 182.A OG no hydrogen 2.948 N/A GLN 176.A NE2 GLU 175.A O no hydrogen 2.830 N/A LEU 179.A N GLN 176.A O no hydrogen 2.908 N/A SER 182.A OG ARG 183.A O no hydrogen 2.886 N/A TYR 184.A N PHE 146.A O no hydrogen 2.725 N/A SER 185.A N LEU 173.A O no hydrogen 2.764 N/A SER 185.A OG GLU 175.A OE2 no hydrogen 2.501 N/A LEU 186.A N ALA 143.A O no hydrogen 2.926 N/A SER 187.A N ASP 169.A OD2 no hydrogen 2.782 N/A SER 187.A OG ASP 169.A OD1 no hydrogen 3.011 N/A SER 187.A OG ASP 169.A OD2 no hydrogen 2.745 N/A SER 188.A N CYS 141.A O no hydrogen 2.979 N/A SER 188.A OG CYS 167.A O.A no hydrogen 2.930 N/A SER 188.A OG CYS 167.A O.B no hydrogen 3.555 N/A SER 188.A OG THR 168.A OG1 no hydrogen 2.584 N/A ARG 189.A N CYS 167.A O.A no hydrogen 2.753 N/A ARG 189.A N CYS 167.A O.B no hydrogen 3.058 N/A ARG 189.A NH1 ASP 169.A OD1 no hydrogen 2.721 N/A ARG 189.A NH2 ASP 169.A OD1 no hydrogen 3.345 N/A LEU 190.A N LEU 139.A O no hydrogen 2.885 N/A ARG 191.A N GLY 165.A O no hydrogen 2.837 N/A ARG 191.A NE GLU 130.A OE2 no hydrogen 3.052 N/A ARG 191.A NH1 GLU 130.A OE2 no hydrogen 3.097 N/A VAL 192.A N ALA 137.A O no hydrogen 2.756 N/A ALA 194.A N GLN 135.A O no hydrogen 3.000 N/A PHE 196.A N SER 193.A OG no hydrogen 3.368 N/A TRP 197.A N SER 193.A O no hydrogen 3.117 N/A GLN 198.A N ALA 194.A O no hydrogen 2.675 N/A ASN 199.A N PHE 196.A O no hydrogen 3.240 N/A ARG 201.A N ASN 199.A OD1 no hydrogen 3.171 N/A ASN 202.A N ASN 199.A O no hydrogen 2.902 N/A ASN 202.A ND2 PHE 196.A O no hydrogen 3.000 N/A HIS 203.A N ASN 158.A OD1 no hydrogen 2.852 N/A PHE 204.A N ALA 235.A O no hydrogen 2.840 N/A ARG 205.A N TRP 156.A O no hydrogen 2.925 N/A ARG 205.A NH2 SER 232.A OG no hydrogen 2.857 N/A CYS 206.A N ALA 233.A O no hydrogen 2.821 N/A GLN 207.A N SER 154.A O no hydrogen 2.775 N/A VAL 208.A N VAL 231.A O no hydrogen 2.764 N/A GLN 209.A N GLU 152.A O no hydrogen 2.856 N/A PHE 210.A N GLN 229.A O no hydrogen 2.755 N/A TYR 211.A N HIS 150.A O no hydrogen 3.122 N/A TYR 211.A OH GLU 152.A OE1 no hydrogen 2.754 N/A GLY 212.A N THR 228.A OG1 no hydrogen 3.029 N/A LEU 213.A N PRO 226.A O no hydrogen 2.949 N/A SER 214.A N ASP 217.A OD2 no hydrogen 2.924 N/A ASN 216.A N SER 214.A OG no hydrogen 3.015 N/A ASP 217.A N SER 214.A O no hydrogen 3.151 N/A TRP 219.A NE1 ARG 223.A O no hydrogen 2.886 N/A GLN 221.A NE2 ARG 114.A O no hydrogen 2.888 N/A ARG 223.A NE GLN 221.A OE1 no hydrogen 2.903 N/A ARG 223.A NH1 VAL 116.A O no hydrogen 2.738 N/A ARG 223.A NH2 ARG 114.A O no hydrogen 2.755 N/A ARG 223.A NH2 VAL 116.A O no hydrogen 2.930 N/A ARG 223.A NH2 GLN 221.A OE1 no hydrogen 3.428 N/A LYS 225.A NZ GLU 215.A O no hydrogen 3.039 N/A LYS 225.A NZ ASP 217.A O no hydrogen 2.365 N/A VAL 227.A N LYS 225.A O no hydrogen 2.718 N/A THR 228.A N LEU 213.A O no hydrogen 2.973 N/A THR 228.A OG1 LEU 213.A O no hydrogen 3.495 N/A GLN 229.A N PHE 210.A O no hydrogen 3.053 N/A VAL 231.A N VAL 208.A O no hydrogen 2.888 N/A ALA 233.A N CYS 206.A O no hydrogen 3.096 N/A ALA 235.A N PHE 204.A O no hydrogen 2.790 N/A GLY 237.A N ASN 202.A O no hydrogen 2.782 N/A ARG 238.A N TRP 197.A O no hydrogen 2.938 N/A ARG 238.A NH2 GLU 125.A OE2 no hydrogen 3.235 N/A ARG 238.A NH2 TRP 236.A O no hydrogen 2.942 N/A