Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ayp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 1.A OE1 no hydrogen 2.029 N/A GLN 6.A N LEU 2.A O no hydrogen 3.264 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 3.239 N/A PHE 7.A N SER 3.A O no hydrogen 2.983 N/A LEU 8.A N VAL 4.A O no hydrogen 2.684 N/A ASN 9.A N GLU 5.A O no hydrogen 3.043 N/A GLU 10.A N GLN 6.A O no hydrogen 2.865 N/A GLN 11.A N PHE 7.A O no hydrogen 2.992 N/A LYS 12.A N LEU 8.A O no hydrogen 2.926 N/A LYS 12.A NZ GLU 16.A OE1 no hydrogen 3.431 N/A GLN 13.A N ASN 9.A O no hydrogen 3.099 N/A ALA 14.A N GLU 10.A O no hydrogen 3.033 N/A VAL 15.A N GLN 11.A O no hydrogen 2.853 N/A GLU 16.A N LYS 12.A O no hydrogen 2.943 N/A THR 17.A N GLN 13.A O no hydrogen 2.975 N/A THR 17.A OG1 GLN 13.A O no hydrogen 3.003 N/A ALA 18.A N ALA 14.A O no hydrogen 2.926 N/A LEU 19.A N VAL 15.A O no hydrogen 2.839 N/A SER 20.A N GLU 16.A O no hydrogen 3.024 N/A ARG 21.A N THR 17.A O no hydrogen 2.900 N/A TYR 22.A N ALA 18.A O no hydrogen 2.842 N/A ILE 23.A N LEU 19.A O no hydrogen 3.200 N/A GLU 24.A N SER 20.A O no hydrogen 3.053 N/A ARG 25.A N ARG 21.A O no hydrogen 3.182 N/A ARG 25.A NH2 GLU 127.A OE1 no hydrogen 3.046 N/A ARG 25.A NH2 GLU 127.A OE2 no hydrogen 2.633 N/A LEU 26.A N ILE 23.A O no hydrogen 2.927 N/A LYS 33.A N PRO 29.A O no hydrogen 3.017 N/A LYS 33.A NZ GLU 24.A O no hydrogen 3.162 N/A LYS 33.A NZ LEU 26.A O no hydrogen 2.662 N/A LYS 34.A N ALA 30.A O no hydrogen 2.762 N/A ALA 35.A N LYS 31.A O no hydrogen 2.854 N/A MET 36.A N LEU 32.A O no hydrogen 2.879 N/A ALA 37.A N LYS 33.A O no hydrogen 2.806 N/A TYR 38.A N LYS 34.A O no hydrogen 2.819 N/A TYR 38.A OH PRO 99.A O no hydrogen 2.530 N/A LEU 40.A N MET 36.A O no hydrogen 3.151 N/A GLU 41.A N ALA 37.A O no hydrogen 2.655 N/A ARG 46.A NE GLU 16.A OE2 no hydrogen 2.733 N/A ARG 46.A NH1 LEU 40.A O no hydrogen 3.256 N/A ARG 46.A NH1 GLU 74.A OE2 no hydrogen 2.748 N/A ARG 46.A NH2 GLU 16.A OE2 no hydrogen 3.088 N/A ARG 46.A NH2 LEU 40.A O no hydrogen 2.847 N/A LEU 50.A N ARG 46.A O no hydrogen 3.014 N/A LEU 51.A N ILE 47.A O no hydrogen 2.881 N/A LEU 52.A N ARG 48.A O no hydrogen 3.126 N/A LEU 53.A N PRO 49.A O no hydrogen 2.999 N/A SER 54.A N LEU 50.A O no hydrogen 2.873 N/A SER 54.A OG LEU 50.A O no hydrogen 2.650 N/A THR 55.A N LEU 51.A O no hydrogen 2.991 N/A THR 55.A OG1 LEU 51.A O no hydrogen 2.712 N/A VAL 56.A N LEU 52.A O no hydrogen 3.025 N/A ARG 57.A N LEU 53.A O no hydrogen 3.028 N/A ALA 58.A N SER 54.A O no hydrogen 2.891 N/A LEU 59.A N VAL 56.A O no hydrogen 3.113 N/A GLY 60.A N ARG 57.A O no hydrogen 2.909 N/A LYS 61.A N VAL 56.A O no hydrogen 3.189 N/A ALA 64.A N ASP 62.A OD1 no hydrogen 3.037 N/A VAL 65.A N ASP 62.A O no hydrogen 3.038 N/A GLY 66.A N PRO 63.A O no hydrogen 2.837 N/A LEU 67.A N ALA 64.A O no hydrogen 3.069 N/A VAL 69.A N GLY 66.A O no hydrogen 2.906 N/A ALA 70.A N GLY 66.A O no hydrogen 2.953 N/A CYS 71.A N LEU 67.A O no hydrogen 2.875 N/A CYS 71.A SG VAL 15.A O no hydrogen 3.973 N/A CYS 71.A SG LEU 67.A O no hydrogen 3.373 N/A ALA 72.A N PRO 68.A O no hydrogen 3.013 N/A ILE 73.A N VAL 69.A O no hydrogen 2.939 N/A GLU 74.A N ALA 70.A O no hydrogen 3.019 N/A MET 75.A N CYS 71.A O no hydrogen 2.775 N/A ILE 76.A N ALA 72.A O no hydrogen 2.971 N/A HIS 77.A N ILE 73.A O no hydrogen 2.888 N/A THR 78.A N GLU 74.A O no hydrogen 2.968 N/A THR 78.A OG1 GLU 74.A O no hydrogen 2.766 N/A TYR 79.A N MET 75.A O no hydrogen 2.916 N/A SER 80.A N ILE 76.A O no hydrogen 3.154 N/A SER 80.A OG HIS 77.A O no hydrogen 2.770 N/A LEU 81.A N HIS 77.A O no hydrogen 3.113 N/A ILE 82.A N THR 78.A O no hydrogen 2.956 N/A HIS 83.A N TYR 79.A O no hydrogen 3.054 N/A HIS 83.A NE2 ILE 111.A O no hydrogen 2.878 N/A ASP 84.A N SER 80.A O no hydrogen 3.038 N/A ASP 85.A N LEU 81.A O no hydrogen 3.050 N/A LEU 86.A N HIS 83.A O no hydrogen 3.314 N/A MET 89.A N LEU 86.A O no hydrogen 2.666 N/A ASP 90.A N ASP 84.A O no hydrogen 2.746 N/A ASN 91.A N LEU 86.A O no hydrogen 2.809 N/A ASP 92.A N ASP 85.A O no hydrogen 2.728 N/A ARG 95.A N LYS 98.A O no hydrogen 2.625 N/A LYS 98.A N ARG 95.A O no hydrogen 2.635 N/A THR 100.A N ASP 93.A O no hydrogen 2.932 N/A THR 100.A OG1 ASP 92.A O no hydrogen 2.726 N/A THR 100.A OG1 ASP 93.A O no hydrogen 2.990 N/A ASN 101.A ND2 ALA 35.A O no hydrogen 3.017 N/A ASN 101.A ND2 SER 39.A OG no hydrogen 2.550 N/A LYS 103.A NZ ASP 93.A OD1 no hydrogen 2.547 N/A VAL 104.A N ASN 101.A O no hydrogen 3.049 N/A PHE 105.A N ASN 101.A O no hydrogen 3.000 N/A GLY 106.A N HIS 102.A O no hydrogen 2.667 N/A ALA 110.A N GLY 106.A O no hydrogen 3.159 N/A ILE 111.A N GLU 107.A O no hydrogen 2.968 N/A LEU 112.A N ALA 108.A O no hydrogen 3.110 N/A ALA 113.A N MET 109.A O no hydrogen 2.801 N/A GLY 114.A N ALA 110.A O no hydrogen 3.015 N/A ASP 115.A N ILE 111.A O no hydrogen 3.016 N/A GLY 116.A N LEU 112.A O no hydrogen 2.838 N/A LEU 117.A N ALA 113.A O no hydrogen 2.913 N/A LEU 118.A N GLY 114.A O no hydrogen 2.908 N/A THR 119.A N ASP 115.A O no hydrogen 3.081 N/A THR 119.A OG1 ASP 115.A O no hydrogen 2.658 N/A TYR 120.A N GLY 116.A O no hydrogen 2.833 N/A TYR 120.A OH TYR 22.A O no hydrogen 2.836 N/A ALA 121.A N LEU 117.A O no hydrogen 3.040 N/A GLN 123.A N THR 119.A O no hydrogen 3.435 N/A GLN 123.A NE2 GLU 127.A OE1 no hydrogen 2.824 N/A LEU 124.A N TYR 120.A O no hydrogen 2.971 N/A ILE 125.A N ALA 121.A O no hydrogen 3.365 N/A THR 126.A OG1 GLN 123.A O no hydrogen 2.771 N/A ARG 136.A N PRO 132.A O no hydrogen 2.905 N/A ARG 136.A NE ILE 131.A O no hydrogen 2.872 N/A ARG 136.A NH2 ILE 131.A O no hydrogen 3.464 N/A LEU 137.A N PRO 133.A O no hydrogen 3.062 N/A ARG 138.A N SER 134.A O no hydrogen 3.278 N/A LEU 139.A N VAL 135.A O no hydrogen 2.894 N/A ILE 140.A N ARG 136.A O no hydrogen 3.053 N/A GLU 141.A N LEU 137.A O no hydrogen 2.823 N/A ARG 142.A N ARG 138.A O no hydrogen 2.893 N/A ARG 142.A NH1 HIS 189.A NE2 no hydrogen 2.892 N/A LEU 143.A N LEU 139.A O no hydrogen 2.836 N/A ALA 144.A N ILE 140.A O no hydrogen 2.904 N/A LYS 145.A N GLU 141.A O no hydrogen 3.083 N/A LYS 145.A NZ GLU 141.A OE2 no hydrogen 3.230 N/A ALA 146.A N ARG 142.A O no hydrogen 2.935 N/A ALA 147.A N LEU 143.A O no hydrogen 2.895 N/A GLY 151.A N GLY 148.A O no hydrogen 2.858 N/A MET 152.A N ALA 146.A O no hydrogen 2.757 N/A VAL 153.A N ALA 147.A O no hydrogen 3.270 N/A VAL 153.A N GLY 148.A O no hydrogen 3.023 N/A ALA 154.A N GLY 148.A O no hydrogen 3.480 N/A GLY 155.A N GLY 151.A O no hydrogen 2.947 N/A GLN 156.A N MET 152.A O no hydrogen 2.867 N/A GLN 156.A NE2 ASP 84.A OD1 no hydrogen 2.520 N/A ALA 157.A N VAL 153.A O no hydrogen 2.858 N/A ALA 158.A N ALA 154.A O no hydrogen 2.977 N/A ASP 159.A N GLY 155.A O no hydrogen 2.956 N/A MET 160.A N GLN 156.A O no hydrogen 2.871 N/A GLU 161.A N ALA 157.A O no hydrogen 2.880 N/A GLY 162.A N ASP 159.A O no hydrogen 2.944 N/A LYS 165.A NZ THR 166.A O no hydrogen 2.883 N/A THR 168.A OG1 LEU 167.A O no hydrogen 1.920 N/A THR 168.A OG1 GLU 171.A OE1 no hydrogen 2.973 N/A LEU 172.A N THR 168.A O no hydrogen 2.805 N/A GLU 173.A N LEU 169.A O no hydrogen 2.767 N/A TYR 174.A N SER 170.A O no hydrogen 3.096 N/A ILE 175.A N GLU 171.A O no hydrogen 3.259 N/A HIS 176.A N LEU 172.A O no hydrogen 2.977 N/A ARG 177.A N GLU 173.A O no hydrogen 2.981 N/A HIS 178.A N TYR 174.A O no hydrogen 3.149 N/A HIS 178.A ND1 GLU 150.A O no hydrogen 2.973 N/A LYS 179.A N ILE 175.A O no hydrogen 2.866 N/A LYS 179.A NZ ASP 159.A OD2 no hydrogen 2.950 N/A THR 180.A N HIS 176.A O no hydrogen 3.071 N/A THR 180.A OG1 HIS 176.A O no hydrogen 2.937 N/A GLY 181.A N HIS 176.A O no hydrogen 3.110 N/A LYS 182.A N ARG 177.A O no hydrogen 2.738 N/A LYS 182.A NZ HIS 178.A ND1 no hydrogen 3.134 N/A LEU 184.A N THR 180.A O no hydrogen 3.372 N/A GLN 185.A N GLY 181.A O no hydrogen 2.824 N/A TYR 186.A N LYS 182.A O no hydrogen 2.722 N/A TYR 186.A OH LEU 139.A O no hydrogen 2.911 N/A SER 187.A N MET 183.A O no hydrogen 3.057 N/A SER 187.A OG MET 183.A O no hydrogen 2.938 N/A VAL 188.A N LEU 184.A O no hydrogen 3.508 N/A HIS 189.A N GLN 185.A O no hydrogen 2.862 N/A HIS 189.A ND1 ASP 206.A OD1 no hydrogen 3.181 N/A ALA 190.A N TYR 186.A O no hydrogen 2.617 N/A GLY 191.A N SER 187.A O no hydrogen 3.233 N/A ALA 192.A N VAL 188.A O no hydrogen 2.899 N/A LEU 193.A N HIS 189.A O no hydrogen 3.022 N/A ILE 194.A N ALA 190.A O no hydrogen 2.966 N/A GLY 195.A N GLY 191.A O no hydrogen 2.776 N/A GLY 196.A N ALA 192.A O no hydrogen 2.958 N/A ALA 197.A N ALA 192.A O no hydrogen 2.871 N/A ASP 198.A N GLN 201.A OE1 no hydrogen 2.975 N/A GLN 201.A N ASP 198.A OD1 no hydrogen 2.756 N/A GLN 201.A NE2 ASP 242.A O no hydrogen 3.437 N/A THR 202.A N ASP 198.A O no hydrogen 2.949 N/A THR 202.A OG1 ASP 198.A O no hydrogen 2.808 N/A ARG 203.A N ALA 199.A O no hydrogen 3.140 N/A GLU 204.A N ARG 200.A O no hydrogen 3.023 N/A LEU 205.A N GLN 201.A O no hydrogen 2.980 N/A ASP 206.A N THR 202.A O no hydrogen 2.831 N/A GLU 207.A N ARG 203.A O no hydrogen 3.079 N/A PHE 208.A N GLU 204.A O no hydrogen 2.952 N/A ALA 209.A N LEU 205.A O no hydrogen 2.994 N/A ALA 210.A N ASP 206.A O no hydrogen 3.013 N/A HIS 211.A N GLU 207.A O no hydrogen 3.152 N/A HIS 211.A ND1 HIS 230.A ND1 no hydrogen 3.066 N/A LEU 212.A N PHE 208.A O no hydrogen 2.882 N/A GLY 213.A N ALA 209.A O no hydrogen 2.677 N/A LEU 214.A N ALA 210.A O no hydrogen 2.798 N/A ALA 215.A N HIS 211.A O no hydrogen 2.811 N/A PHE 216.A N LEU 212.A O no hydrogen 2.784 N/A GLN 217.A N GLY 213.A O no hydrogen 2.669 N/A ARG 219.A N ALA 215.A O no hydrogen 3.149 N/A LYS 224.A N LEU 220.A O no hydrogen 3.230 N/A GLU 225.A N ALA 221.A O no hydrogen 3.351 N/A LYS 226.A N GLY 222.A O no hydrogen 3.022 N/A LYS 226.A NZ HIS 230.A NE2 no hydrogen 3.173 N/A LEU 227.A N ALA 223.A O no hydrogen 3.106 N/A ALA 228.A N LYS 224.A O no hydrogen 3.042 N/A PHE 229.A N GLU 225.A O no hydrogen 2.893 N/A HIS 230.A N LYS 226.A O no hydrogen 3.038 N/A HIS 230.A ND1 HIS 211.A ND1 no hydrogen 3.066 N/A ILE 231.A N LEU 227.A O no hydrogen 2.998 N/A GLU 232.A N ALA 228.A O no hydrogen 3.104 N/A ALA 233.A N PHE 229.A O no hydrogen 2.789 N/A ALA 234.A N HIS 230.A O no hydrogen 2.831 N/A GLN 235.A N ILE 231.A O no hydrogen 3.076 N/A GLN 235.A NE2 ALA 249.A O no hydrogen 3.564 N/A GLN 235.A NE2 GLU 253.A OE1 no hydrogen 2.569 N/A ARG 236.A N GLU 232.A O no hydrogen 3.042 N/A HIS 237.A N ALA 233.A O no hydrogen 3.117 N/A HIS 237.A ND1 GLU 204.A OE1 no hydrogen 2.652 N/A LEU 238.A N ALA 234.A O no hydrogen 2.901 N/A ARG 239.A N GLN 235.A O no hydrogen 3.019 N/A ASN 240.A N ARG 236.A O no hydrogen 3.036 N/A ALA 241.A N HIS 237.A O no hydrogen 3.034 N/A VAL 243.A N ALA 241.A O no hydrogen 2.880 N/A ASP 244.A N ALA 58.A O no hydrogen 2.887 N/A ALA 249.A N GLY 245.A O no hydrogen 2.781 N/A TYR 250.A N ALA 246.A O no hydrogen 2.914 N/A ILE 251.A N ALA 247.A O no hydrogen 2.976 N/A CYS 252.A N LEU 248.A O no hydrogen 2.974 N/A CYS 252.A SG ILE 231.A O no hydrogen 3.860 N/A GLU 253.A N ALA 249.A O no hydrogen 2.880 N/A LEU 254.A N TYR 250.A O no hydrogen 2.864 N/A LEU 254.A N ILE 251.A O no hydrogen 3.250 N/A VAL 255.A N ILE 251.A O no hydrogen 3.178 N/A ALA 256.A N CYS 252.A O no hydrogen 3.188 N/A ALA 257.A N GLU 253.A O no hydrogen 3.011 N/A