Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qcy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ GLU 29.A OE2 no hydrogen 2.751 N/A ARG 6.A N ASP 9.A OD2 no hydrogen 2.834 N/A ARG 6.A NH2 GLU 8.A OE2.A no hydrogen 2.806 N/A ASP 9.A N ARG 6.A O no hydrogen 2.793 N/A PHE 10.A N PRO 7.A O no hydrogen 3.066 N/A LYS 11.A N ARG 28.A O no hydrogen 2.811 N/A GLY 13.A N LEU 26.A O no hydrogen 2.712 N/A LEU 16.A N VAL 24.A O no hydrogen 2.687 N/A GLY 17.A N VAL 24.A O no hydrogen 3.316 N/A GLY 19.A N SER 22.A O no hydrogen 2.771 N/A THR 23.A N ILE 40.A O no hydrogen 3.072 N/A THR 23.A OG1 GLU 18.A OE2 no hydrogen 3.420 N/A VAL 24.A N GLY 17.A O no hydrogen 2.823 N/A VAL 25.A N ILE 38.A O no hydrogen 2.800 N/A LEU 26.A N LYS 14.A O no hydrogen 2.898 N/A ALA 27.A N TYR 36.A O no hydrogen 2.915 N/A ARG 28.A N LYS 11.A O no hydrogen 2.878 N/A ARG 28.A NH1 SER 33.A O no hydrogen 2.777 N/A ARG 28.A NH1 SER 33.A OG.A no hydrogen 3.216 N/A GLU 29.A N ARG 34.A O no hydrogen 2.802 N/A LEU 30.A N ASP 9.A O no hydrogen 2.936 N/A THR 32.A N GLU 29.A O no hydrogen 3.354 N/A THR 32.A OG1 GLU 29.A OE1 no hydrogen 2.502 N/A SER 33.A N GLU 29.A O no hydrogen 2.728 N/A SER 33.A OG.B THR 32.A O no hydrogen 2.402 N/A ARG 34.A N THR 32.A OG1 no hydrogen 3.000 N/A TYR 36.A N ALA 27.A O no hydrogen 2.883 N/A ALA 37.A N LEU 87.A O no hydrogen 2.925 N/A ILE 38.A N VAL 25.A O no hydrogen 2.830 N/A LYS 39.A N PHE 85.A O no hydrogen 2.830 N/A LYS 39.A NZ GLU 58.A OE1 no hydrogen 2.559 N/A LYS 39.A NZ GLU 58.A OE2 no hydrogen 3.181 N/A ILE 40.A N THR 23.A O no hydrogen 2.766 N/A LEU 41.A N LEU 83.A O no hydrogen 2.931 N/A LYS 43.A N GLU 81.A O no hydrogen 3.045 N/A LYS 43.A NZ GLN 78.A OE1 no hydrogen 2.689 N/A LYS 43.A NZ ASP 79.A O no hydrogen 2.856 N/A LYS 43.A NZ ASP 80.A O no hydrogen 3.532 N/A ILE 46.A N GLU 42.A O no hydrogen 2.942 N/A ILE 47.A N LYS 43.A O no hydrogen 2.922 N/A LYS 48.A N ARG 44.A O no hydrogen 2.849 N/A LYS 48.A NZ HIS 45.A ND1 no hydrogen 3.515 N/A GLU 49.A N HIS 45.A O no hydrogen 2.993 N/A ASN 50.A N ILE 47.A O no hydrogen 2.966 N/A ASN 50.A ND2 LYS 48.A O no hydrogen 3.482 N/A LYS 51.A N ILE 46.A O no hydrogen 2.832 N/A TYR 54.A N LYS 51.A O no hydrogen 2.923 N/A VAL 55.A N LYS 51.A O no hydrogen 3.273 N/A THR 56.A N VAL 52.A O no hydrogen 2.971 N/A THR 56.A OG1 VAL 52.A O no hydrogen 3.033 N/A ARG 57.A N PRO 53.A O no hydrogen 3.023 N/A ARG 57.A NH1 ALA 155.A O no hydrogen 2.951 N/A GLU 58.A N TYR 54.A O no hydrogen 3.003 N/A ARG 59.A N VAL 55.A O no hydrogen 3.072 N/A ASP 60.A N THR 56.A O no hydrogen 2.884 N/A VAL 61.A N ARG 57.A O no hydrogen 2.923 N/A MET 62.A N GLU 58.A O no hydrogen 2.897 N/A SER 63.A OG ARG 59.A O no hydrogen 3.071 N/A ARG 64.A N VAL 61.A O no hydrogen 2.982 N/A ASP 66.A N TYR 123.A OH no hydrogen 2.930 N/A PHE 69.A N HIS 67.A ND1 no hydrogen 3.005 N/A PHE 70.A N HIS 67.A O no hydrogen 3.211 N/A VAL 71.A N ILE 149.A O no hydrogen 2.883 N/A LYS 72.A N SER 88.A OG no hydrogen 2.779 N/A TYR 74.A N GLY 86.A O no hydrogen 2.758 N/A PHE 77.A N TYR 84.A O no hydrogen 3.024 N/A ASP 79.A N LYS 82.A O no hydrogen 3.054 N/A GLU 81.A N ASP 79.A OD1 no hydrogen 2.994 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.720 N/A LEU 83.A N LEU 41.A O no hydrogen 2.805 N/A TYR 84.A N PHE 77.A O no hydrogen 2.729 N/A TYR 84.A OH ASP 79.A OD2 no hydrogen 2.715 N/A PHE 85.A N LYS 39.A O no hydrogen 2.827 N/A GLY 86.A N PHE 75.A O no hydrogen 2.773 N/A LEU 87.A N ALA 37.A O no hydrogen 2.848 N/A SER 88.A N LYS 72.A O no hydrogen 3.005 N/A SER 88.A OG LYS 72.A O no hydrogen 3.504 N/A ASN 92.A N LEU 141.A O no hydrogen 2.954 N/A ASN 92.A ND2 ASN 142.A O no hydrogen 2.931 N/A ASN 92.A ND2 GLU 143.A O no hydrogen 3.426 N/A GLY 93.A N ALA 90.A O no hydrogen 3.107 N/A LEU 95.A N ILE 139.A O no hydrogen 2.809 N/A LEU 96.A N PRO 136.A O no hydrogen 3.159 N/A LYS 97.A N GLU 94.A O no hydrogen 3.039 N/A LYS 97.A NZ ASN 92.A O no hydrogen 3.513 N/A LYS 97.A NZ TYR 98.A OH no hydrogen 3.364 N/A ILE 99.A N LEU 95.A O no hydrogen 3.134 N/A ARG 100.A N LEU 96.A O no hydrogen 3.030 N/A LYS 101.A N LYS 97.A O no hydrogen 2.827 N/A ILE 102.A N TYR 98.A O no hydrogen 2.956 N/A GLY 103.A N ILE 99.A O no hydrogen 2.907 N/A PHE 105.A N LEU 192.A O no hydrogen 2.745 N/A CYS 109.A N ASP 106.A OD1 no hydrogen 2.973 N/A CYS 109.A SG ASP 106.A OD1 no hydrogen 3.326 N/A CYS 109.A SG LYS 274.A O no hydrogen 3.520 N/A THR 110.A N ASP 106.A O no hydrogen 2.974 N/A THR 110.A OG1 PHE 105.A O no hydrogen 3.538 N/A THR 110.A OG1 ASP 106.A O no hydrogen 2.913 N/A ARG 111.A N GLU 107.A O no hydrogen 2.971 N/A ARG 111.A NE PHE 258.A O no hydrogen 2.854 N/A ARG 111.A NH2 GLU 107.A OE2 no hydrogen 3.003 N/A ARG 111.A NH2 PHE 258.A O no hydrogen 3.316 N/A PHE 112.A N THR 108.A O no hydrogen 3.158 N/A TYR 113.A N CYS 109.A O no hydrogen 3.022 N/A TYR 113.A OH MET 145.A O no hydrogen 2.634 N/A THR 114.A N THR 110.A O no hydrogen 2.786 N/A THR 114.A OG1 THR 110.A O no hydrogen 2.630 N/A ALA 115.A N ARG 111.A O no hydrogen 2.935 N/A GLU 116.A N PHE 112.A O no hydrogen 3.010 N/A ILE 117.A N TYR 113.A O no hydrogen 3.089 N/A VAL 118.A N THR 114.A O no hydrogen 2.887 N/A SER 119.A N ALA 115.A O no hydrogen 2.882 N/A ALA 120.A N GLU 116.A O no hydrogen 2.852 N/A LEU 121.A N ILE 117.A O no hydrogen 2.975 N/A GLU 122.A N VAL 118.A O no hydrogen 2.904 N/A TYR 123.A N SER 119.A O no hydrogen 3.224 N/A LEU 124.A N ALA 120.A O no hydrogen 2.892 N/A HIS 125.A N LEU 121.A O no hydrogen 2.716 N/A HIS 125.A NE2 ASP 181.A OD2 no hydrogen 2.849 N/A GLY 126.A N GLU 122.A O no hydrogen 2.981 N/A LYS 127.A N TYR 123.A O no hydrogen 3.294 N/A LYS 127.A N LEU 124.A O no hydrogen 2.966 N/A GLY 128.A N HIS 125.A O no hydrogen 2.845 N/A ILE 129.A N LEU 124.A O no hydrogen 3.217 N/A ILE 130.A N LYS 156.A O no hydrogen 2.930 N/A HIS 131.A N ASP 181.A OD2 no hydrogen 2.837 N/A HIS 131.A NE2 THR 150.A O no hydrogen 3.029 N/A ARG 132.A N ASP 181.A OD1 no hydrogen 2.907 N/A ARG 132.A NE THR 154.A O no hydrogen 2.733 N/A ARG 132.A NH2 THR 154.A O no hydrogen 3.118 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.127 N/A LYS 135.A N ASN 138.A OD1 no hydrogen 3.024 N/A LYS 135.A NZ GLU 137.A OE1 no hydrogen 3.442 N/A LYS 135.A NZ THR 162.A OG1 no hydrogen 2.648 N/A ASN 138.A N LYS 135.A O no hydrogen 2.971 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.901 N/A ASN 138.A ND2 ASP 151.A OD2 no hydrogen 3.333 N/A LEU 140.A N GLN 148.A O no hydrogen 2.845 N/A LEU 141.A N GLY 93.A O no hydrogen 2.690 N/A ASN 142.A N HIS 146.A O no hydrogen 2.853 N/A ASP 144.A N ASN 142.A OD1 no hydrogen 3.338 N/A MET 145.A N ASN 142.A O no hydrogen 2.796 N/A HIS 146.A N ASP 144.A OD1 no hydrogen 3.112 N/A HIS 146.A ND1 GLU 116.A OE2 no hydrogen 2.578 N/A ILE 147.A N GLU 116.A OE1 no hydrogen 3.121 N/A GLN 148.A N LEU 140.A O no hydrogen 2.782 N/A ILE 149.A N PHE 69.A O no hydrogen 2.829 N/A THR 150.A N ASN 138.A O no hydrogen 2.933 N/A PHE 152.A N GLU 58.A OE2 no hydrogen 2.963 N/A THR 154.A OG1 HIS 131.A O no hydrogen 3.239 N/A ALA 155.A N PHE 152.A O no hydrogen 3.086 N/A LYS 156.A N ILE 130.A O no hydrogen 2.825 N/A LEU 158.A N GLY 128.A O no hydrogen 2.866 N/A THR 162.A N ASP 133.A OD1 no hydrogen 3.040 N/A THR 162.A OG1 ASP 133.A OD1 no hydrogen 3.231 N/A TYR 165.A N THR 162.A O no hydrogen 2.878 N/A TYR 165.A OH GLN 191.A OE1 no hydrogen 2.530 N/A VAL 166.A N ALA 163.A O no hydrogen 3.190 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.745 N/A LEU 170.A N SER 167.A O no hydrogen 3.025 N/A THR 172.A OG1 PRO 168.A O no hydrogen 3.304 N/A LYS 174.A N LEU 170.A O no hydrogen 3.276 N/A SER 175.A OG GLU 173.A OE1 no hydrogen 2.748 N/A CYS 177.A N SER 180.A OG no hydrogen 2.982 N/A LYS 178.A NZ HIS 125.A O no hydrogen 3.304 N/A LYS 178.A NZ GLU 245.A OE2 no hydrogen 2.792 N/A SER 179.A OG ALA 238.A O no hydrogen 2.606 N/A SER 180.A N CYS 177.A O no hydrogen 2.805 N/A SER 180.A OG GLU 169.A OE2 no hydrogen 2.945 N/A SER 180.A OG CYS 177.A O no hydrogen 3.112 N/A ASP 181.A N LYS 178.A O no hydrogen 3.131 N/A TRP 183.A N SER 179.A O no hydrogen 3.014 N/A ALA 184.A N SER 180.A O no hydrogen 3.106 N/A LEU 185.A N ASP 181.A O no hydrogen 2.882 N/A GLY 186.A N LEU 182.A O no hydrogen 2.951 N/A CYS 187.A N TRP 183.A O no hydrogen 3.093 N/A CYS 187.A SG GLN 164.A O no hydrogen 3.893 N/A CYS 187.A SG TRP 183.A O no hydrogen 3.599 N/A ILE 188.A N ALA 184.A O no hydrogen 2.917 N/A ILE 189.A N LEU 185.A O no hydrogen 2.886 N/A TYR 190.A N GLY 186.A O no hydrogen 3.055 N/A TYR 190.A OH ASP 217.A O no hydrogen 2.587 N/A GLN 191.A N CYS 187.A O no hydrogen 2.939 N/A LEU 192.A N ILE 188.A O no hydrogen 2.857 N/A VAL 193.A N ILE 189.A O no hydrogen 3.138 N/A VAL 193.A N TYR 190.A O no hydrogen 3.211 N/A ALA 194.A N TYR 190.A O no hydrogen 2.751 N/A GLY 195.A N GLN 191.A O no hydrogen 2.792 N/A ARG 200.A NH1 PRO 197.A O no hydrogen 2.784 N/A LEU 206.A N ASN 203.A OD1 no hydrogen 2.891 N/A ILE 207.A N ASN 203.A O no hydrogen 3.056 N/A PHE 208.A N GLU 204.A O no hydrogen 2.962 N/A GLN 209.A N TYR 205.A O no hydrogen 3.013 N/A LYS 210.A N LEU 206.A O no hydrogen 3.215 N/A LYS 210.A NZ ARG 200.A O no hydrogen 2.651 N/A ILE 211.A N ILE 207.A O no hydrogen 3.047 N/A ILE 212.A N PHE 208.A O no hydrogen 3.175 N/A LYS 213.A N GLN 209.A O no hydrogen 3.310 N/A LYS 213.A N LYS 210.A O no hydrogen 3.122 N/A LEU 214.A N ILE 211.A O no hydrogen 2.782 N/A GLU 215.A N LYS 210.A O no hydrogen 2.776 N/A LYS 225.A NZ GLU 260.A OE1 no hydrogen 3.524 N/A ARG 227.A N PHE 223.A O no hydrogen 2.777 N/A ARG 227.A NE GLU 231.A OE2 no hydrogen 2.962 N/A ARG 227.A NH2 GLU 231.A OE2 no hydrogen 3.567 N/A ASP 228.A N PRO 224.A O no hydrogen 2.881 N/A LEU 229.A N LYS 225.A O no hydrogen 3.039 N/A VAL 230.A N ALA 226.A O no hydrogen 2.820 N/A GLU 231.A N ARG 227.A O no hydrogen 2.851 N/A LYS 232.A N ASP 228.A O no hydrogen 3.110 N/A LYS 232.A N LEU 229.A O no hydrogen 2.916 N/A LEU 233.A N VAL 230.A O no hydrogen 3.062 N/A LEU 234.A N VAL 230.A O no hydrogen 2.894 N/A VAL 235.A N LEU 233.A O no hydrogen 2.885 N/A THR 239.A N ASP 237.A OD1 no hydrogen 2.901 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.681 N/A THR 239.A OG1 ASP 237.A OD2 no hydrogen 3.473 N/A LYS 240.A N ASP 237.A O no hydrogen 2.995 N/A ARG 241.A NE VAL 235.A O no hydrogen 2.855 N/A ARG 241.A NH1 GLU 169.A OE1 no hydrogen 3.376 N/A ARG 241.A NH1 GLU 169.A OE2 no hydrogen 2.802 N/A ARG 241.A NH1 SER 179.A O no hydrogen 2.887 N/A ARG 241.A NH2 GLU 169.A OE1 no hydrogen 2.750 N/A ARG 241.A NH2 VAL 235.A O no hydrogen 3.116 N/A ARG 241.A NH2 LEU 236.A O no hydrogen 3.316 N/A LEU 242.A N LYS 232.A O no hydrogen 3.024 N/A CYS 244.A N ARG 241.A O no hydrogen 3.060 N/A CYS 244.A SG ALA 238.A O no hydrogen 3.705 N/A CYS 244.A SG THR 239.A O no hydrogen 3.384 N/A CYS 244.A SG ARG 241.A O no hydrogen 3.164 N/A CYS 244.A SG GLU 246.A OE1 no hydrogen 3.598 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 2.693 N/A MET 247.A N CYS 244.A O no hydrogen 2.894 N/A GLU 248.A N GLU 245.A O no hydrogen 2.879 N/A GLY 249.A N CYS 244.A O no hydrogen 2.970 N/A TYR 250.A OH HIS 125.A ND1 no hydrogen 2.669 N/A LYS 254.A N TYR 250.A O no hydrogen 2.802 N/A LYS 254.A NZ GLU 122.A OE1 no hydrogen 2.857 N/A ALA 255.A N GLY 251.A O no hydrogen 2.947 N/A ALA 255.A N PRO 252.A O no hydrogen 3.215 N/A HIS 256.A N LEU 253.A O no hydrogen 3.081 N/A HIS 256.A NE2 ASP 228.A OD1 no hydrogen 2.691 N/A PHE 258.A N HIS 256.A ND1 no hydrogen 2.964 N/A PHE 259.A N HIS 256.A O no hydrogen 2.790 N/A GLU 260.A N PRO 257.A O no hydrogen 3.025 N/A VAL 262.A N PHE 259.A O no hydrogen 2.919 N/A GLN 269.A N ASN 266.A O no hydrogen 2.836 N/A GLN 270.A N LEU 267.A O no hydrogen 3.046 N/A GLN 270.A NE2 THR 263.A O no hydrogen 2.814 N/A GLN 270.A NE2 ASN 266.A OD1 no hydrogen 3.006 N/A