Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mcq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 LEU 1.A O no hydrogen 3.319 N/A ARG 7.A NH1 ARG 111.A O no hydrogen 2.710 N/A HIS 10.A N THR 109.A O no hydrogen 2.920 N/A SER 12.A N GLY 107.A O no hydrogen 3.148 N/A LEU 15.A N SER 12.A OG no hydrogen 3.314 N/A GLY 16.A N SER 12.A O no hydrogen 2.951 N/A ALA 21.A N GLY 18.A O no hydrogen 3.104 N/A ALA 22.A N ASP 19.A O no hydrogen 3.486 N/A LEU 23.A N ASP 20.A O no hydrogen 3.338 N/A GLN 25.A NE2 PRO 26.A O no hydrogen 3.347 N/A SER 27.A N GLU 122.A OE2 no hydrogen 2.808 N/A SER 27.A OG GLU 122.A OE1 no hydrogen 2.722 N/A SER 27.A OG GLU 122.A OE2 no hydrogen 3.297 N/A GLU 30.A N THR 123.A O no hydrogen 2.866 N/A ALA 32.A N GLY 121.A O no hydrogen 2.816 N/A SER 34.A N ILE 120.A O no hydrogen 2.991 N/A ASP 36.A N VAL 118.A O no hydrogen 2.818 N/A ALA 39.A N LEU 114.A O no hydrogen 3.057 N/A HIS 42.A N ASN 40.A OD1 no hydrogen 3.171 N/A PHE 43.A N ASN 40.A O no hydrogen 2.991 N/A ASN 46.A N TYR 44.A O no hydrogen 2.659 N/A TRP 50.A N ASP 48.A OD1 no hydrogen 3.032 N/A LEU 51.A N ASP 48.A O no hydrogen 3.002 N/A ILE 52.A N ASP 48.A O no hydrogen 3.354 N/A GLY 53.A N PRO 49.A O no hydrogen 2.883 N/A TRP 54.A N TRP 50.A O no hydrogen 2.938 N/A LYS 55.A N LEU 51.A O no hydrogen 2.965 N/A LYS 55.A NZ LEU 174.A O no hydrogen 2.783 N/A LYS 55.A NZ ASP 246.A OD2 no hydrogen 2.529 N/A SER 56.A N ILE 52.A O no hydrogen 2.942 N/A SER 56.A OG ILE 52.A O no hydrogen 2.603 N/A LEU 57.A N GLY 53.A O no hydrogen 3.394 N/A ALA 58.A N TRP 54.A O no hydrogen 3.065 N/A VAL 59.A N LYS 55.A O no hydrogen 3.043 N/A ASN 60.A N LEU 57.A O no hydrogen 2.933 N/A ASN 60.A ND2 ASP 36.A OD2 no hydrogen 3.510 N/A ASN 60.A ND2 SER 56.A O no hydrogen 2.793 N/A ILE 61.A N LEU 57.A O no hydrogen 2.920 N/A SER 62.A N ALA 58.A O no hydrogen 2.897 N/A SER 62.A OG ASP 196.A OD2 no hydrogen 2.660 N/A ASP 63.A N VAL 59.A O no hydrogen 3.417 N/A ALA 65.A N SER 62.A O no hydrogen 2.964 N/A GLN 68.A N GLU 122.A O no hydrogen 2.849 N/A GLN 68.A NE2.A PRO 69.A O no hydrogen 3.451 N/A ARG 70.A NH1 GLU 122.A OE1 no hydrogen 3.560 N/A ARG 70.A NH1 GLU 122.A OE2 no hydrogen 2.960 N/A ALA 72.A N ALA 103.A O no hydrogen 2.853 N/A THR 73.A N GLN 119.A O no hydrogen 2.908 N/A THR 73.A OG1 GLN 119.A OE1.A no hydrogen 2.518 N/A LEU 74.A N GLY 106.A O no hydrogen 2.936 N/A THR 75.A N SER 117.A O no hydrogen 2.889 N/A ILE 76.A N ASP 108.A O no hydrogen 3.134 N/A ALA 77.A N THR 115.A O no hydrogen 2.839 N/A LEU 78.A N THR 110.A O no hydrogen 2.946 N/A TRP 85.A N ASP 82.A OD1 no hydrogen 3.092 N/A ILE 86.A N ASP 82.A O no hydrogen 3.313 N/A SER 87.A N GLU 83.A O no hydrogen 3.006 N/A SER 87.A OG.A GLU 83.A O no hydrogen 2.791 N/A LYS 88.A N ASP 84.A O no hydrogen 3.028 N/A LYS 88.A NZ ASP 84.A OD1 no hydrogen 2.751 N/A LYS 88.A NZ ASP 84.A OD2 no hydrogen 2.980 N/A PHE 89.A N TRP 85.A O no hydrogen 2.881 N/A ALA 90.A N ILE 86.A O no hydrogen 2.853 N/A ALA 91.A N SER 87.A O no hydrogen 3.042 N/A GLY 92.A N LYS 88.A O no hydrogen 3.151 N/A PHE 93.A N PHE 89.A O no hydrogen 2.894 N/A PHE 94.A N ALA 90.A O no hydrogen 2.729 N/A ALA 95.A N ALA 91.A O no hydrogen 2.909 N/A CYS 96.A N GLY 92.A O no hydrogen 3.038 N/A CYS 96.A SG TRP 54.A O no hydrogen 3.673 N/A ALA 97.A N PHE 93.A O no hydrogen 2.966 N/A ALA 98.A N PHE 94.A O no hydrogen 2.886 N/A GLN 99.A N ALA 95.A O no hydrogen 3.047 N/A GLN 99.A NE2 GLN 178.A OE1 no hydrogen 3.218 N/A PHE 100.A N CYS 96.A O no hydrogen 3.258 N/A PHE 100.A N ALA 97.A O no hydrogen 3.200 N/A ASP 101.A N ALA 98.A O no hydrogen 3.134 N/A ILE 102.A N ALA 97.A O no hydrogen 2.866 N/A ALA 103.A N ARG 70.A O no hydrogen 2.970 N/A ILE 105.A N ALA 72.A O no hydrogen 2.790 N/A ASP 108.A N LEU 74.A O no hydrogen 3.016 N/A THR 109.A N HIS 10.A O no hydrogen 2.882 N/A THR 110.A N ILE 76.A O no hydrogen 2.934 N/A ARG 111.A N THR 110.A OG1 no hydrogen 2.774 N/A ARG 111.A NH1 LEU 78.A O no hydrogen 2.784 N/A GLY 112.A N LEU 78.A O no hydrogen 2.986 N/A THR 115.A N ALA 77.A O no hydrogen 3.256 N/A THR 115.A OG1 PRO 113.A O no hydrogen 2.834 N/A ILE 116.A N LEU 37.A O no hydrogen 2.855 N/A SER 117.A N THR 75.A O no hydrogen 2.831 N/A VAL 118.A N ASP 36.A O no hydrogen 3.288 N/A GLN 119.A N THR 73.A O no hydrogen 3.181 N/A ILE 120.A N SER 34.A O no hydrogen 2.830 N/A GLU 122.A N GLN 68.A O no hydrogen 2.870 N/A THR 123.A N GLU 30.A O no hydrogen 2.968 N/A ALA 127.A N PRO 124.A O no hydrogen 3.016 N/A SER 128.A OG.A LEU 129.A O no hydrogen 3.496 N/A THR 133.A OG1 LEU 130.A O no hydrogen 3.449 N/A THR 133.A OG1 HIS 192.A O no hydrogen 2.583 N/A ALA 134.A N SER 212.A OG no hydrogen 3.215 N/A ARG 135.A N ASP 138.A OD2 no hydrogen 3.010 N/A ASP 137.A N ILE 278.A O no hydrogen 2.846 N/A ASP 138.A N ARG 135.A O no hydrogen 3.157 N/A ASP 139.A N ALA 254.A O no hydrogen 2.807 N/A ILE 140.A N GLY 276.A O no hydrogen 2.926 N/A TRP 141.A N PHE 252.A O no hydrogen 2.752 N/A VAL 142.A N ALA 273.A O no hydrogen 3.078 N/A SER 143.A N LEU 250.A O no hydrogen 2.930 N/A SER 143.A OG GLU 249.A OE1 no hydrogen 2.690 N/A SER 143.A OG LEU 250.A O no hydrogen 3.510 N/A LEU 146.A N PRO 224.A O no hydrogen 3.267 N/A GLY 147.A N ASP 247.A OD1 no hydrogen 2.797 N/A LEU 151.A N GLY 147.A O no hydrogen 2.906 N/A ALA 152.A N ASP 148.A O no hydrogen 2.774 N/A LEU 153.A N ALA 149.A O no hydrogen 2.950 N/A ALA 154.A N ALA 150.A O no hydrogen 2.860 N/A ALA 155.A N LEU 151.A O no hydrogen 2.946 N/A ILE 156.A N ALA 152.A O no hydrogen 2.913 N/A GLN 157.A N LEU 153.A O no hydrogen 2.959 N/A GLY 158.A N ALA 155.A O no hydrogen 3.042 N/A ARG 159.A N ALA 154.A O no hydrogen 2.753 N/A ARG 159.A NE GLN 157.A OE1 no hydrogen 3.015 N/A ARG 159.A NH2 GLN 157.A OE1 no hydrogen 2.724 N/A TYR 160.A N ALA 154.A O no hydrogen 3.326 N/A TYR 160.A OH HIS 232.A ND1 no hydrogen 3.190 N/A TYR 160.A OH GLU 235.A OE1 no hydrogen 2.329 N/A TYR 160.A OH GLU 235.A OE2 no hydrogen 3.213 N/A SER 163.A N GLU 166.A OE1 no hydrogen 2.992 N/A SER 163.A OG GLU 166.A OE1 no hydrogen 3.423 N/A GLU 166.A N SER 163.A OG no hydrogen 3.053 N/A LEU 167.A N SER 163.A O no hydrogen 2.855 N/A ALA 168.A N ASP 164.A O no hydrogen 2.834 N/A ALA 169.A N THR 165.A O no hydrogen 3.243 N/A ALA 169.A N GLU 166.A O no hydrogen 3.136 N/A CYS 170.A N GLU 166.A O no hydrogen 3.086 N/A CYS 170.A SG.A ASP 148.A OD1 no hydrogen 3.513 N/A CYS 170.A SG.A GLU 166.A O no hydrogen 3.614 N/A CYS 170.A SG.B GLU 166.A O no hydrogen 3.506 N/A CYS 170.A SG.B LEU 167.A O no hydrogen 4.018 N/A GLY 171.A N LEU 167.A O no hydrogen 2.894 N/A ALA 173.A N CYS 170.A O no hydrogen 3.180 N/A HIS 175.A N GLY 171.A O no hydrogen 3.019 N/A GLN 176.A N LYS 172.A O no hydrogen 2.969 N/A GLN 178.A NE2 GLN 176.A O no hydrogen 3.267 N/A ARG 180.A NE GLU 249.A OE1 no hydrogen 2.883 N/A ARG 180.A NH2 GLU 249.A OE2 no hydrogen 2.869 N/A GLY 184.A N ARG 180.A O no hydrogen 3.029 N/A GLN 185.A N VAL 181.A O no hydrogen 3.202 N/A GLN 185.A NE2 GLN 68.A OE1.A no hydrogen 3.115 N/A ALA 186.A N VAL 182.A O no hydrogen 2.913 N/A LEU 187.A N LEU 183.A O no hydrogen 2.878 N/A LEU 187.A N GLY 184.A O no hydrogen 3.146 N/A ARG 188.A N GLN 185.A O no hydrogen 3.422 N/A ARG 188.A NE GLY 66.A O no hydrogen 2.917 N/A ARG 188.A NH2 GLY 66.A O no hydrogen 2.930 N/A LEU 190.A N LEU 187.A O no hydrogen 2.897 N/A ALA 191.A N LEU 187.A O no hydrogen 2.857 N/A HIS 192.A N THR 253.A O no hydrogen 2.664 N/A HIS 192.A ND1 ASP 138.A OD1 no hydrogen 2.649 N/A HIS 192.A ND1 ASP 138.A OD2 no hydrogen 3.151 N/A SER 193.A OG THR 253.A OG1 no hydrogen 2.700 N/A ALA 194.A N LEU 130.A O no hydrogen 3.067 N/A LEU 195.A N CYS 251.A O no hydrogen 2.957 N/A ILE 197.A N GLU 249.A O no hydrogen 2.843 N/A SER 198.A N ASP 204.A OD2 no hydrogen 2.814 N/A ASP 199.A N ASP 204.A OD2 no hydrogen 2.872 N/A LEU 202.A N LEU 242.A O no hydrogen 2.916 N/A ASP 204.A N GLY 200.A O no hydrogen 2.917 N/A LEU 205.A N LEU 201.A O no hydrogen 2.760 N/A GLY 206.A N LEU 202.A O no hydrogen 2.904 N/A HIS 207.A N ALA 203.A O no hydrogen 2.797 N/A ILE 208.A N ASP 204.A O no hydrogen 3.127 N/A LEU 209.A N LEU 205.A O no hydrogen 2.879 N/A GLU 210.A N GLY 206.A O no hydrogen 3.016 N/A HIS 211.A N HIS 207.A O no hydrogen 3.012 N/A HIS 211.A ND1 HIS 207.A O no hydrogen 2.775 N/A SER 212.A N ILE 208.A O no hydrogen 2.869 N/A SER 212.A OG ARG 131.A O no hydrogen 3.002 N/A SER 212.A OG ILE 208.A O no hydrogen 2.646 N/A VAL 214.A N LEU 209.A O no hydrogen 3.091 N/A GLY 215.A N THR 279.A O no hydrogen 2.949 N/A ALA 216.A N GLN 283.A O no hydrogen 2.779 N/A GLU 217.A N ARG 277.A O no hydrogen 2.925 N/A VAL 218.A N VAL 285.A O no hydrogen 3.093 N/A TRP 219.A N ILE 275.A O no hydrogen 3.041 N/A LEU 220.A N HIS 287.A O no hydrogen 2.927 N/A ALA 222.A N TRP 219.A O no hydrogen 2.993 N/A ILE 223.A N LEU 220.A O no hydrogen 3.207 N/A LYS 225.A NZ LEU 220.A O no hydrogen 2.858 N/A LYS 225.A NZ ILE 223.A O no hydrogen 2.799 N/A SER 226.A OG ASP 148.A OD1 no hydrogen 2.582 N/A SER 226.A OG ASP 148.A OD2 no hydrogen 3.384 N/A VAL 229.A N SER 226.A OG no hydrogen 3.116 N/A SER 230.A N SER 226.A O no hydrogen 2.825 N/A ALA 231.A N GLU 227.A O no hydrogen 3.080 N/A HIS 232.A N VAL 228.A O no hydrogen 3.270 N/A HIS 232.A N VAL 229.A O no hydrogen 3.155 N/A HIS 232.A ND1 GLU 235.A OE2 no hydrogen 3.083 N/A HIS 232.A NE2 GLU 166.A OE2 no hydrogen 2.800 N/A SER 233.A N SER 230.A O no hydrogen 3.152 N/A SER 233.A OG SER 230.A O no hydrogen 2.695 N/A GLU 235.A N HIS 232.A O no hydrogen 3.063 N/A GLN 239.A N GLU 235.A O no hydrogen 3.023 N/A GLN 239.A NE2 SER 233.A O no hydrogen 2.899 N/A LYS 240.A N VAL 236.A O no hydrogen 2.936 N/A LEU 242.A N GLN 239.A O no hydrogen 3.100 N/A SER 243.A N LYS 240.A O no hydrogen 2.859 N/A SER 243.A OG LYS 240.A O no hydrogen 3.049 N/A ASP 246.A N SER 198.A O no hydrogen 2.739 N/A TYR 248.A N ILE 197.A O no hydrogen 2.783 N/A LEU 250.A N SER 143.A OG no hydrogen 2.723 N/A CYS 251.A N LEU 195.A O no hydrogen 2.862 N/A CYS 251.A SG TRP 141.A O no hydrogen 3.842 N/A PHE 252.A N TRP 141.A O no hydrogen 2.963 N/A THR 253.A N SER 193.A O no hydrogen 2.934 N/A THR 253.A OG1 ASP 138.A OD2 no hydrogen 2.702 N/A THR 253.A OG1 SER 193.A OG no hydrogen 2.700 N/A ALA 254.A N ASP 139.A O no hydrogen 3.126 N/A SER 255.A OG GLN 257.A OE1.B no hydrogen 3.173 N/A GLN 257.A N SER 255.A OG no hydrogen 3.101 N/A HIS 258.A N SER 255.A O no hydrogen 3.169 N/A HIS 258.A ND1 GLN 261.A OE1.B no hydrogen 2.890 N/A ARG 259.A N THR 256.A O no hydrogen 3.299 N/A ARG 259.A NE ASP 139.A OD1 no hydrogen 3.458 N/A ARG 259.A NE ASP 139.A OD2 no hydrogen 2.942 N/A ARG 259.A NH2 ASP 139.A OD1 no hydrogen 3.025 N/A GLN 260.A NE2 GLN 260.A O no hydrogen 3.080 N/A GLN 260.A NE2 ASP 264.A OD1 no hydrogen 2.880 N/A GLN 260.A NE2 ASP 264.A OD2 no hydrogen 3.463 N/A ILE 262.A N HIS 258.A O no hydrogen 3.000 N/A ALA 263.A N ARG 259.A O no hydrogen 2.942 N/A ASP 264.A N GLN 260.A O no hydrogen 2.988 N/A ILE 265.A N GLN 261.A O no hydrogen 3.034 N/A GLY 266.A N ILE 262.A O no hydrogen 3.041 N/A ARG 267.A N ALA 263.A O no hydrogen 3.077 N/A ARG 267.A NH2.A ASP 264.A OD1 no hydrogen 2.631 N/A GLN 268.A N ASP 264.A O no hydrogen 2.878 N/A LEU 269.A N ILE 265.A O no hydrogen 2.967 N/A SER 270.A N ARG 267.A O no hydrogen 3.083 N/A LEU 271.A N GLY 266.A O no hydrogen 2.811 N/A ALA 273.A N VAL 142.A O no hydrogen 3.115 N/A ILE 275.A N ILE 140.A O no hydrogen 2.696 N/A ARG 277.A N GLU 217.A O no hydrogen 2.915 N/A ILE 278.A N ASP 138.A O no hydrogen 2.927 N/A THR 279.A N GLY 215.A O no hydrogen 2.843 N/A THR 279.A OG1 THR 281.A O no hydrogen 2.836 N/A GLN 283.A N THR 281.A O no hydrogen 2.902 N/A VAL 285.A N ALA 216.A O no hydrogen 2.955 N/A ILE 286.A N LEU 294.A O no hydrogen 2.926 N/A HIS 287.A N VAL 218.A O no hydrogen 2.868 N/A HIS 287.A ND1 ASP 291.A O no hydrogen 2.552 N/A HIS 287.A NE2 GLU 217.A OE2 no hydrogen 3.077 N/A GLY 288.A N ALA 292.A O no hydrogen 3.261 N/A ASP 291.A N GLY 288.A O no hydrogen 2.871 N/A LEU 294.A N ILE 286.A O no hydrogen 3.175 N/A