Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ay5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A N SER 3.A O no hydrogen 2.725 N/A GLN 7.A NE2 PRO 66.A O no hydrogen 3.527 N/A LEU 8.A N PRO 4.A O no hydrogen 3.193 N/A ARG 9.A N LEU 5.A O no hydrogen 3.378 N/A HIS 10.A N GLU 6.A O no hydrogen 3.201 N/A LEU 11.A N GLN 7.A O no hydrogen 2.961 N/A ALA 12.A N LEU 8.A O no hydrogen 2.760 N/A GLU 13.A N ARG 9.A O no hydrogen 3.061 N/A GLU 14.A N HIS 10.A O no hydrogen 2.709 N/A LEU 15.A N LEU 11.A O no hydrogen 2.861 N/A ARG 16.A N ALA 12.A O no hydrogen 3.132 N/A LEU 17.A N GLU 13.A O no hydrogen 3.345 N/A LEU 18.A N LEU 15.A O no hydrogen 3.026 N/A LEU 19.A N ARG 16.A O no hydrogen 3.037 N/A ARG 21.A NH1 LEU 17.A O no hydrogen 2.704 N/A VAL 22.A N LEU 18.A O no hydrogen 2.680 N/A ARG 23.A N LEU 19.A O no hydrogen 2.903 N/A ARG 33.A NE ARG 137.A O no hydrogen 3.292 N/A PHE 36.A N ASN 32.A O no hydrogen 2.719 N/A TRP 37.A N ARG 33.A O no hydrogen 3.378 N/A ARG 38.A N GLU 34.A O no hydrogen 3.047 N/A ARG 39.A N MET 35.A O no hydrogen 3.205 N/A LEU 40.A N PHE 36.A O no hydrogen 3.078 N/A ASN 41.A N TRP 37.A O no hydrogen 3.202 N/A GLU 42.A N ARG 38.A O no hydrogen 3.103 N/A ALA 43.A N ARG 39.A O no hydrogen 2.826 N/A ALA 44.A N LEU 40.A O no hydrogen 2.933 N/A VAL 45.A N ASN 41.A O no hydrogen 2.899 N/A THR 46.A N GLU 42.A O no hydrogen 2.954 N/A THR 46.A OG1 GLU 42.A O no hydrogen 3.348 N/A VAL 47.A N ALA 43.A O no hydrogen 2.982 N/A SER 48.A N ALA 44.A O no hydrogen 2.978 N/A SER 48.A OG ALA 44.A O no hydrogen 3.474 N/A SER 48.A OG VAL 45.A O no hydrogen 2.924 N/A ARG 49.A N VAL 45.A O no hydrogen 2.894 N/A GLU 50.A N THR 46.A O no hydrogen 3.131 N/A ALA 51.A N VAL 47.A O no hydrogen 2.992 N/A THR 52.A N SER 48.A O no hydrogen 2.767 N/A THR 52.A OG1 SER 48.A O no hydrogen 3.047 N/A THR 53.A N ARG 49.A O no hydrogen 2.750 N/A THR 53.A OG1 ARG 49.A O no hydrogen 2.882 N/A LEU 54.A N GLU 50.A O no hydrogen 2.879 N/A THR 55.A N ALA 51.A O no hydrogen 2.904 N/A THR 55.A OG1 ALA 51.A O no hydrogen 2.820 N/A ILE 56.A N THR 52.A O no hydrogen 2.969 N/A VAL 57.A N THR 53.A O no hydrogen 3.049 N/A PHE 58.A N LEU 54.A O no hydrogen 2.819 N/A SER 59.A N ILE 56.A O no hydrogen 3.353 N/A SER 59.A OG THR 55.A O no hydrogen 2.508 N/A GLN 60.A N VAL 57.A O no hydrogen 3.343 N/A SER 65.A N GLU 68.A OE1 no hydrogen 3.039 N/A GLU 68.A N SER 65.A OG no hydrogen 3.200 N/A THR 69.A N SER 65.A O no hydrogen 2.923 N/A THR 69.A OG1 SER 65.A O no hydrogen 2.963 N/A GLN 70.A N PRO 66.A O no hydrogen 2.984 N/A GLN 70.A NE2 GLU 74.A OE2 no hydrogen 3.274 N/A LYS 71.A N GLN 67.A O no hydrogen 3.063 N/A PHE 72.A N GLU 68.A O no hydrogen 3.039 N/A CYS 73.A N THR 69.A O no hydrogen 2.826 N/A CYS 73.A SG THR 69.A O no hydrogen 3.343 N/A GLU 74.A N GLN 70.A O no hydrogen 3.068 N/A GLN 75.A N LYS 71.A O no hydrogen 2.929 N/A VAL 76.A N PHE 72.A O no hydrogen 3.016 N/A HIS 77.A N CYS 73.A O no hydrogen 3.029 N/A ALA 78.A N GLU 74.A O no hydrogen 2.724 N/A ALA 79.A N GLN 75.A O no hydrogen 2.913 N/A ILE 80.A N VAL 76.A O no hydrogen 2.922 N/A LYS 81.A N HIS 77.A O no hydrogen 2.705 N/A ALA 82.A N ALA 78.A O no hydrogen 2.878 N/A PHE 83.A N ALA 79.A O no hydrogen 3.150 N/A ILE 84.A N ILE 80.A O no hydrogen 2.997 N/A ALA 85.A N LYS 81.A O no hydrogen 2.920 N/A VAL 86.A N ALA 82.A O no hydrogen 3.259 N/A TYR 87.A N PHE 83.A O no hydrogen 3.083 N/A TYR 88.A N ILE 84.A O no hydrogen 2.815 N/A TYR 88.A OH ARG 21.A O no hydrogen 3.304 N/A LEU 89.A N VAL 86.A O no hydrogen 2.790 N/A LEU 90.A N TYR 87.A O no hydrogen 2.892 N/A GLN 94.A N PRO 91.A O no hydrogen 2.748 N/A GLY 95.A N LYS 92.A O no hydrogen 2.867 N/A ILE 96.A N ASP 217.A OD2 no hydrogen 2.860 N/A THR 97.A N ASP 217.A OD1 no hydrogen 3.102 N/A THR 97.A OG1 ASP 217.A OD1 no hydrogen 3.068 N/A LEU 98.A N ASN 139.A OD1 no hydrogen 2.852 N/A ARG 99.A N GLY 95.A O no hydrogen 2.911 N/A ARG 99.A NH2 GLY 25.A O no hydrogen 3.020 N/A LYS 100.A N ILE 96.A O no hydrogen 2.840 N/A LEU 101.A N THR 97.A O no hydrogen 3.264 N/A VAL 102.A N LEU 98.A O no hydrogen 3.055 N/A ARG 103.A N ARG 99.A O no hydrogen 2.775 N/A GLY 104.A N LYS 100.A O no hydrogen 2.796 N/A ALA 105.A N LEU 101.A O no hydrogen 2.922 N/A THR 106.A N VAL 102.A O no hydrogen 2.808 N/A THR 106.A OG1 VAL 102.A O no hydrogen 3.035 N/A LEU 107.A N ARG 103.A O no hydrogen 2.813 N/A ASP 108.A N GLY 104.A O no hydrogen 2.930 N/A ILE 109.A N ALA 105.A O no hydrogen 3.004 N/A VAL 110.A N THR 106.A O no hydrogen 3.041 N/A ASP 111.A N LEU 107.A O no hydrogen 2.703 N/A GLY 112.A N ASP 108.A O no hydrogen 2.830 N/A MET 113.A N ILE 109.A O no hydrogen 2.826 N/A ALA 114.A N VAL 110.A O no hydrogen 3.035 N/A GLN 115.A N ASP 111.A O no hydrogen 2.849 N/A GLN 115.A NE2 ASP 111.A OD2 no hydrogen 2.768 N/A LEU 116.A N GLY 112.A O no hydrogen 3.073 N/A MET 117.A N MET 113.A O no hydrogen 3.234 N/A GLU 118.A N ALA 114.A O no hydrogen 3.157 N/A VAL 119.A N GLN 115.A O no hydrogen 3.042 N/A LEU 120.A N LEU 116.A O no hydrogen 2.853 N/A SER 121.A N GLU 118.A O no hydrogen 2.695 N/A SER 121.A OG LEU 5.A O no hydrogen 3.402 N/A SER 121.A OG MET 117.A O no hydrogen 2.838 N/A VAL 122.A N VAL 119.A O no hydrogen 3.466 N/A TRP 126.A NE1 THR 52.A OG1 no hydrogen 3.169 N/A VAL 127.A N ASN 123.A O no hydrogen 2.933 N/A ALA 128.A N SER 124.A O no hydrogen 2.858 N/A CYS 129.A N VAL 125.A O no hydrogen 2.838 N/A CYS 129.A SG ALA 44.A O no hydrogen 3.617 N/A CYS 129.A SG VAL 125.A O no hydrogen 3.638 N/A GLN 130.A N TRP 126.A O no hydrogen 2.750 N/A GLN 131.A N VAL 127.A O no hydrogen 3.161 N/A GLN 131.A N ALA 128.A O no hydrogen 3.235 N/A GLN 131.A NE2 VAL 127.A O no hydrogen 3.152 N/A MET 132.A N CYS 129.A O no hydrogen 3.465 N/A ILE 135.A N GLN 131.A O no hydrogen 3.121 N/A ASN 139.A ND2 VAL 213.A O no hydrogen 3.275 N/A ASN 139.A ND2 ASP 217.A OD1 no hydrogen 2.984 N/A LYS 140.A NZ ALA 205.A O no hydrogen 3.018 N/A LYS 140.A NZ GLY 208.A O no hydrogen 2.962 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.971 N/A ALA 142.A N ASP 138.A O no hydrogen 3.023 N/A ALA 143.A N ASN 139.A O no hydrogen 2.888 N/A LEU 144.A N LYS 140.A O no hydrogen 2.816 N/A LEU 145.A N ALA 141.A O no hydrogen 2.812 N/A MET 146.A N ALA 142.A O no hydrogen 2.929 N/A LEU 147.A N ALA 143.A O no hydrogen 2.858 N/A THR 148.A N LEU 144.A O no hydrogen 2.962 N/A LYS 149.A N LEU 145.A O no hydrogen 2.948 N/A ASN 150.A N MET 146.A O no hydrogen 3.109 N/A ASN 150.A ND2 MET 146.A O no hydrogen 2.986 N/A ASN 150.A ND2 ASP 224.A OD1 no hydrogen 2.798 N/A VAL 151.A N LEU 147.A O no hydrogen 2.953 N/A ASP 152.A N THR 148.A O no hydrogen 2.910 N/A PHE 153.A N LYS 149.A O no hydrogen 3.101 N/A VAL 154.A N ASN 150.A O no hydrogen 2.940 N/A LYS 155.A N VAL 151.A O no hydrogen 2.853 N/A ASP 156.A N ASP 152.A O no hydrogen 2.971 N/A ALA 157.A N PHE 153.A O no hydrogen 3.039 N/A HIS 158.A N VAL 154.A O no hydrogen 2.961 N/A GLU 159.A N LYS 155.A O no hydrogen 3.036 N/A GLU 160.A N ASP 156.A O no hydrogen 2.778 N/A MET 161.A N ALA 157.A O no hydrogen 2.934 N/A GLU 162.A N HIS 158.A O no hydrogen 2.926 N/A GLN 163.A N GLU 159.A O no hydrogen 2.885 N/A ALA 164.A N GLU 160.A O no hydrogen 2.815 N/A VAL 165.A N MET 161.A O no hydrogen 2.780 N/A GLU 166.A N GLU 162.A O no hydrogen 2.906 N/A GLU 167.A N GLN 163.A O no hydrogen 3.043 N/A SER 168.A N ALA 164.A O no hydrogen 3.322 N/A SER 168.A N VAL 165.A O no hydrogen 2.955 N/A SER 168.A OG ASP 169.A OD2 no hydrogen 3.193 N/A TRP 175.A NE1 ILE 237.A O no hydrogen 2.931 N/A SER 176.A N ASP 179.A OD2 no hydrogen 2.864 N/A ASP 178.A N SER 176.A OG no hydrogen 2.796 N/A GLN 180.A N SER 176.A O no hydrogen 2.646 N/A GLU 181.A N GLU 177.A O no hydrogen 2.759 N/A LEU 182.A N ASP 178.A O no hydrogen 3.005 N/A ILE 183.A N ASP 179.A O no hydrogen 3.007 N/A ILE 183.A N GLN 180.A O no hydrogen 3.048 N/A CYS 186.A SG LEU 182.A O no hydrogen 3.221 N/A LEU 187.A N ILE 183.A O no hydrogen 2.875 N/A ALA 188.A N ILE 184.A O no hydrogen 3.174 N/A LEU 189.A N PRO 185.A O no hydrogen 2.864 N/A VAL 190.A N CYS 186.A O no hydrogen 3.040 N/A ARG 191.A N LEU 187.A O no hydrogen 2.908 N/A ALA 192.A N ALA 188.A O no hydrogen 2.622 N/A SER 193.A N LEU 189.A O no hydrogen 2.933 N/A SER 193.A OG LEU 189.A O no hydrogen 2.916 N/A LYS 194.A N VAL 190.A O no hydrogen 3.035 N/A LYS 194.A NZ HIS 158.A ND1 no hydrogen 3.483 N/A ALA 195.A N ARG 191.A O no hydrogen 2.866 N/A CYS 196.A N ALA 192.A O no hydrogen 2.746 N/A CYS 196.A SG ALA 192.A O no hydrogen 3.323 N/A LEU 197.A N SER 193.A O no hydrogen 2.984 N/A LYS 198.A N LYS 194.A O no hydrogen 2.867 N/A LYS 199.A N ALA 195.A O no hydrogen 2.955 N/A ILE 200.A N CYS 196.A O no hydrogen 2.887 N/A ARG 201.A N LEU 197.A O no hydrogen 2.782 N/A MET 202.A N LYS 198.A O no hydrogen 2.968 N/A LEU 203.A N LYS 199.A O no hydrogen 2.983 N/A VAL 204.A N ILE 200.A O no hydrogen 2.883 N/A ALA 205.A N ARG 201.A O no hydrogen 2.692 N/A GLU 206.A N MET 202.A O no hydrogen 2.778 N/A ASN 207.A N LEU 203.A O no hydrogen 2.729 N/A ASN 207.A ND2 VAL 269.A O no hydrogen 2.627 N/A GLY 208.A N VAL 204.A O no hydrogen 2.630 N/A GLN 212.A N LYS 209.A O no hydrogen 2.732 N/A VAL 213.A N ASP 211.A O no hydrogen 2.647 N/A LEU 216.A N GLN 212.A O no hydrogen 2.818 N/A ASP 217.A N VAL 213.A O no hydrogen 3.005 N/A ASP 218.A N ALA 214.A O no hydrogen 2.791 N/A ILE 219.A N GLN 215.A O no hydrogen 2.783 N/A VAL 220.A N LEU 216.A O no hydrogen 2.900 N/A ASP 221.A N ASP 217.A O no hydrogen 2.816 N/A ILE 222.A N ASP 218.A O no hydrogen 3.204 N/A SER 223.A N ILE 219.A O no hydrogen 2.928 N/A SER 223.A OG ILE 219.A O no hydrogen 2.715 N/A ASP 224.A N VAL 220.A O no hydrogen 2.928 N/A GLU 225.A N ILE 222.A O no hydrogen 2.944 N/A ILE 226.A N SER 223.A O no hydrogen 3.160 N/A SER 229.A N GLU 225.A O no hydrogen 3.207 N/A SER 229.A OG GLU 225.A O no hydrogen 3.347 N/A VAL 230.A N ILE 226.A O no hydrogen 3.009 N/A ASP 231.A N SER 227.A O no hydrogen 2.772 N/A ASP 232.A N PRO 228.A O no hydrogen 2.677 N/A LEU 233.A N SER 229.A O no hydrogen 2.790 N/A ALA 234.A N VAL 230.A O no hydrogen 2.789 N/A LEU 235.A N ASP 231.A O no hydrogen 2.999 N/A SER 236.A N ASP 232.A O no hydrogen 3.181 N/A SER 236.A N LEU 233.A O no hydrogen 3.249 N/A SER 236.A OG ASP 232.A O no hydrogen 2.995 N/A SER 236.A OG LEU 233.A O no hydrogen 2.826 N/A ILE 237.A N LEU 233.A O no hydrogen 3.171 N/A ILE 237.A N ALA 234.A O no hydrogen 2.848 N/A TYR 238.A N ALA 234.A O no hydrogen 3.426 N/A SER 242.A OG THR 245.A OG1 no hydrogen 2.737 N/A HIS 243.A NE2 ASP 179.A OD1 no hydrogen 2.739 N/A THR 245.A N SER 242.A OG no hydrogen 2.781 N/A THR 245.A OG1 SER 242.A OG no hydrogen 2.737 N/A VAL 246.A N SER 242.A O no hydrogen 3.032 N/A ARG 247.A N HIS 243.A O no hydrogen 2.949 N/A ILE 248.A N LEU 244.A O no hydrogen 3.148 N/A ASN 249.A N THR 245.A O no hydrogen 2.968 N/A ASN 249.A ND2 ASP 232.A O no hydrogen 3.339 N/A ASN 249.A ND2 SER 236.A OG no hydrogen 2.750 N/A SER 250.A N VAL 246.A O no hydrogen 2.850 N/A SER 250.A OG VAL 246.A O no hydrogen 2.857 N/A ALA 251.A N ARG 247.A O no hydrogen 2.939 N/A LYS 252.A N ILE 248.A O no hydrogen 2.891 N/A LEU 253.A N ASN 249.A O no hydrogen 2.973 N/A VAL 254.A N SER 250.A O no hydrogen 2.962 N/A SER 255.A N ALA 251.A O no hydrogen 2.983 N/A VAL 256.A N LYS 252.A O no hydrogen 2.918 N/A LEU 257.A N LEU 253.A O no hydrogen 2.828 N/A LYS 258.A N VAL 254.A O no hydrogen 2.871 N/A LYS 258.A NZ ASP 282.A OD1 no hydrogen 2.959 N/A LYS 259.A N SER 255.A O no hydrogen 2.920 N/A ALA 260.A N VAL 256.A O no hydrogen 2.781 N/A LEU 261.A N LEU 257.A O no hydrogen 2.740 N/A GLU 262.A N LYS 258.A O no hydrogen 2.761 N/A ILE 263.A N LYS 259.A O no hydrogen 2.992 N/A THR 264.A N ALA 260.A O no hydrogen 3.037 N/A THR 264.A OG1 ALA 260.A O no hydrogen 2.988 N/A LYS 265.A N LEU 261.A O no hydrogen 2.894 N/A ALA 266.A N GLU 262.A O no hydrogen 3.257 N/A SER 267.A N ILE 263.A O no hydrogen 3.144 N/A SER 267.A N THR 264.A O no hydrogen 3.140 N/A SER 267.A OG THR 264.A O no hydrogen 2.527 N/A HIS 268.A N GLN 215.A OE1 no hydrogen 2.643 N/A VAL 269.A N SER 267.A OG no hydrogen 3.153 N/A LEU 276.A N TRP 273.A O no hydrogen 3.214 N/A LEU 277.A N TRP 273.A O no hydrogen 3.098 N/A ILE 278.A N ILE 274.A O no hydrogen 3.066 N/A ASN 279.A N PRO 275.A O no hydrogen 2.991 N/A ALA 280.A N LEU 276.A O no hydrogen 2.981 N/A ILE 281.A N LEU 277.A O no hydrogen 2.866 N/A ASP 282.A N ILE 278.A O no hydrogen 2.735 N/A HIS 283.A N ASN 279.A O no hydrogen 2.926 N/A CYS 284.A N ALA 280.A O no hydrogen 2.991 N/A CYS 284.A SG ALA 280.A O no hydrogen 3.316 N/A MET 285.A N ILE 281.A O no hydrogen 3.016 N/A ASN 286.A N ASP 282.A O no hydrogen 2.671 N/A ARG 287.A N HIS 283.A O no hydrogen 2.856 N/A ILE 288.A N CYS 284.A O no hydrogen 2.815 N/A LYS 289.A N MET 285.A O no hydrogen 2.758 N/A GLU 290.A N ASN 286.A O no hydrogen 2.988 N/A LEU 291.A N ARG 287.A O no hydrogen 2.938 N/A THR 292.A N LYS 289.A O no hydrogen 3.194 N/A THR 292.A OG1 HIS 243.A O no hydrogen 3.567 N/A GLN 293.A NE2 LYS 289.A O no hydrogen 3.403 N/A GLU 295.A N THR 292.A O no hydrogen 3.212 N/A LEU 296.A N GLN 293.A O no hydrogen 2.982 N/A