Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pqr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 7.A N ARG 3.A O no hydrogen 2.911 N/A GLU 8.A N GLU 4.A O no hydrogen 3.302 N/A LEU 9.A N LYS 5.A O no hydrogen 2.857 N/A ALA 10.A N ALA 6.A O no hydrogen 3.066 N/A VAL 11.A N LEU 7.A O no hydrogen 2.779 N/A ALA 12.A N GLU 8.A O no hydrogen 2.897 N/A GLN 13.A N LEU 9.A O no hydrogen 2.837 N/A ILE 14.A N ALA 10.A O no hydrogen 2.906 N/A GLU 15.A N VAL 11.A O no hydrogen 2.861 N/A LYS 16.A N ALA 12.A O no hydrogen 2.933 N/A SER 17.A N GLN 13.A O no hydrogen 2.816 N/A SER 17.A OG GLN 13.A O no hydrogen 2.548 N/A TYR 18.A N ILE 14.A O no hydrogen 2.920 N/A GLY 19.A N GLU 15.A O no hydrogen 2.824 N/A SER 22.A N GLY 19.A O no hydrogen 3.119 N/A SER 22.A OG GLY 19.A O no hydrogen 3.028 N/A ARG 25.A N ASP 28.A OD2 no hydrogen 3.079 N/A ASP 28.A N ARG 25.A O no hydrogen 3.215 N/A GLN 32.A NE2 GLY 49.A O no hydrogen 2.849 N/A ILE 37.A N LEU 53.A O no hydrogen 2.874 N/A THR 39.A N ASP 45.A OD1 no hydrogen 2.953 N/A THR 39.A OG1 ASP 45.A OD1 no hydrogen 2.612 N/A SER 41.A N THR 39.A OG1 no hydrogen 3.343 N/A SER 41.A OG SER 253.A OG no hydrogen 2.727 N/A LEU 44.A N SER 41.A OG no hydrogen 3.140 N/A ASP 45.A N SER 41.A O no hydrogen 2.755 N/A VAL 46.A N ILE 42.A O no hydrogen 2.739 N/A ALA 47.A N ALA 43.A O no hydrogen 2.923 N/A LEU 48.A N LEU 44.A O no hydrogen 3.132 N/A GLY 49.A N VAL 46.A O no hydrogen 2.880 N/A LEU 53.A N ILE 37.A O no hydrogen 2.690 N/A ARG 55.A NH1 ASP 136.A OD2 no hydrogen 3.517 N/A ILE 59.A N ALA 182.A O no hydrogen 2.673 N/A GLU 60.A N VAL 201.A O no hydrogen 2.975 N/A ILE 61.A N PHE 184.A O no hydrogen 3.033 N/A TYR 62.A N MET 203.A O no hydrogen 2.940 N/A TYR 62.A OH ASP 204.A OD2 no hydrogen 3.122 N/A GLY 63.A N ASN 186.A O no hydrogen 3.288 N/A SER 67.A OG PRO 64.A O no hydrogen 2.900 N/A SER 67.A OG VAL 205.A O no hydrogen 3.476 N/A LYS 69.A NZ PRO 64.A O no hydrogen 3.147 N/A LYS 69.A NZ GLN 187.A OE1 no hydrogen 3.469 N/A THR 71.A OG1 TYR 100.A OH no hydrogen 2.731 N/A VAL 72.A N GLY 68.A O no hydrogen 2.892 N/A ALA 73.A N LYS 69.A O no hydrogen 3.042 N/A LEU 74.A N THR 70.A O no hydrogen 2.866 N/A HIS 75.A N THR 71.A O no hydrogen 3.196 N/A ALA 76.A N VAL 72.A O no hydrogen 3.110 N/A VAL 77.A N ALA 73.A O no hydrogen 3.052 N/A ALA 78.A N LEU 74.A O no hydrogen 2.701 N/A ASN 79.A N HIS 75.A O no hydrogen 2.852 N/A ASN 79.A ND2 PRO 38.A O no hydrogen 2.648 N/A ALA 80.A N ALA 76.A O no hydrogen 3.106 N/A GLN 81.A N VAL 77.A O no hydrogen 3.006 N/A GLN 81.A NE2 ASP 107.A O no hydrogen 3.288 N/A ALA 82.A N ALA 78.A O no hydrogen 2.822 N/A ALA 83.A N ASN 79.A O no hydrogen 3.078 N/A GLY 84.A N GLN 81.A O no hydrogen 2.655 N/A GLY 85.A N ALA 80.A O no hydrogen 2.837 N/A ALA 88.A N ILE 137.A O no hydrogen 3.079 N/A PHE 89.A N LEU 112.A O no hydrogen 2.772 N/A ILE 90.A N VAL 139.A O no hydrogen 2.712 N/A ASP 91.A N SER 114.A O no hydrogen 2.826 N/A ALA 92.A N ASP 141.A O no hydrogen 2.633 N/A GLU 93.A N ASP 91.A OD1 no hydrogen 3.095 N/A HIS 94.A N ASP 91.A OD1 no hydrogen 2.624 N/A ASP 99.A N ASP 97.A OD1 no hydrogen 2.996 N/A TYR 100.A N ASP 97.A OD1 no hydrogen 3.308 N/A TYR 100.A OH THR 71.A OG1 no hydrogen 2.731 N/A ALA 101.A N ASP 97.A O no hydrogen 2.958 N/A LYS 102.A N PRO 98.A O no hydrogen 2.740 N/A LYS 103.A N ASP 99.A O no hydrogen 3.057 N/A LEU 104.A N TYR 100.A O no hydrogen 3.182 N/A GLY 105.A N LYS 102.A O no hydrogen 2.852 N/A VAL 106.A N ALA 101.A O no hydrogen 3.049 N/A ASP 107.A N GLN 81.A OE1 no hydrogen 2.712 N/A SER 110.A OG ASP 107.A OD2 no hydrogen 2.494 N/A LEU 111.A N ASP 107.A O no hydrogen 3.167 N/A LEU 111.A N THR 108.A O no hydrogen 2.987 N/A LEU 112.A N ALA 87.A O no hydrogen 3.003 N/A SER 114.A N PHE 89.A O no hydrogen 3.187 N/A GLN 115.A NE2 ASP 91.A OD2 no hydrogen 2.869 N/A GLY 119.A N VAL 147.A O no hydrogen 2.673 N/A GLN 121.A N THR 118.A OG1 no hydrogen 3.033 N/A ALA 122.A N THR 118.A O no hydrogen 2.982 N/A LEU 123.A N GLY 119.A O no hydrogen 3.250 N/A GLU 124.A N GLU 120.A O no hydrogen 2.942 N/A ILE 125.A N GLN 121.A O no hydrogen 2.864 N/A ALA 126.A N ALA 122.A O no hydrogen 3.051 N/A ASP 127.A N LEU 123.A O no hydrogen 2.831 N/A MET 128.A N GLU 124.A O no hydrogen 2.842 N/A LEU 129.A N ILE 125.A O no hydrogen 2.860 N/A ILE 130.A N ALA 126.A O no hydrogen 2.948 N/A ARG 131.A N ASP 127.A O no hydrogen 3.033 N/A ARG 131.A NE ASP 127.A OD2 no hydrogen 2.609 N/A ARG 131.A NH2 ASP 127.A OD1 no hydrogen 3.048 N/A ARG 131.A NH2 LYS 170.A O no hydrogen 3.075 N/A SER 132.A N MET 128.A O no hydrogen 3.238 N/A SER 132.A OG LEU 129.A O no hydrogen 2.621 N/A GLY 133.A N ILE 130.A O no hydrogen 3.006 N/A ALA 134.A N SER 132.A OG no hydrogen 2.813 N/A ASP 136.A N VAL 86.A O no hydrogen 3.095 N/A VAL 138.A N THR 181.A O no hydrogen 3.013 N/A VAL 139.A N ALA 88.A O no hydrogen 2.941 N/A ILE 140.A N ILE 183.A O no hydrogen 2.796 N/A ASP 141.A N ILE 90.A O no hydrogen 2.779 N/A SER 142.A OG GLU 93.A OE2 no hydrogen 2.651 N/A VAL 143.A N ILE 185.A O no hydrogen 2.895 N/A LEU 146.A N VAL 143.A O no hydrogen 2.934 N/A VAL 147.A N ALA 145.A O no hydrogen 2.769 N/A ARG 149.A N GLU 120.A OE2 no hydrogen 2.383 N/A LEU 152.A N PRO 148.A O no hydrogen 3.011 N/A GLU 153.A N ARG 149.A O no hydrogen 2.672 N/A GLY 154.A N GLU 151.A O no hydrogen 3.169 N/A GLU 155.A N ALA 150.A O no hydrogen 3.022 N/A GLN 160.A NE2 ALA 144.A O no hydrogen 3.570 N/A LEU 163.A N LEU 159.A O no hydrogen 2.703 N/A MET 164.A N GLN 160.A O no hydrogen 2.926 N/A SER 165.A N ALA 161.A O no hydrogen 3.012 N/A SER 165.A OG ALA 161.A O no hydrogen 2.983 N/A GLN 166.A N ARG 162.A O no hydrogen 2.995 N/A ALA 167.A N LEU 163.A O no hydrogen 2.909 N/A LEU 168.A N MET 164.A O no hydrogen 2.799 N/A ARG 169.A N SER 165.A O no hydrogen 3.191 N/A LYS 170.A N GLN 166.A O no hydrogen 3.475 N/A MET 171.A N ALA 167.A O no hydrogen 2.820 N/A THR 172.A N LEU 168.A O no hydrogen 2.789 N/A LEU 175.A N MET 171.A O no hydrogen 2.918 N/A ASN 176.A N THR 172.A O no hydrogen 3.197 N/A ASN 177.A N GLY 173.A O no hydrogen 3.030 N/A SER 178.A N ALA 174.A O no hydrogen 2.960 N/A SER 178.A OG ALA 174.A O no hydrogen 2.805 N/A SER 178.A OG LEU 175.A O no hydrogen 3.088 N/A SER 178.A OG THR 180.A OG1 no hydrogen 3.015 N/A GLY 179.A N LEU 175.A O no hydrogen 2.844 N/A THR 180.A N SER 178.A OG no hydrogen 3.200 N/A THR 180.A OG1 LEU 135.A O no hydrogen 2.509 N/A THR 180.A OG1 SER 178.A OG no hydrogen 3.015 N/A THR 181.A N ASP 136.A O no hydrogen 3.096 N/A THR 181.A OG1 PRO 54.A O no hydrogen 2.696 N/A ALA 182.A N ARG 57.A O no hydrogen 3.071 N/A ILE 183.A N VAL 138.A O no hydrogen 2.965 N/A PHE 184.A N ILE 59.A O no hydrogen 2.718 N/A ILE 185.A N ILE 140.A O no hydrogen 2.990 N/A ASN 186.A N ILE 61.A O no hydrogen 3.048 N/A ASN 186.A ND2 GLU 60.A OE2 no hydrogen 2.886 N/A LEU 195.A N GLY 191.A O no hydrogen 3.441 N/A LYS 196.A N GLY 192.A O no hydrogen 2.950 N/A PHE 197.A N ALA 194.A O no hydrogen 3.007 N/A TYR 198.A N ALA 194.A O no hydrogen 3.212 N/A ALA 199.A N LEU 195.A O no hydrogen 3.037 N/A SER 200.A N VAL 58.A O no hydrogen 2.913 N/A ARG 202.A N LYS 228.A O no hydrogen 2.954 N/A ARG 202.A NE GLU 60.A OE1 no hydrogen 2.463 N/A MET 203.A N GLU 60.A O no hydrogen 2.846 N/A ASP 204.A N LYS 225.A O no hydrogen 2.806 N/A VAL 205.A N TYR 62.A O no hydrogen 2.787 N/A ARG 206.A N ARG 223.A O no hydrogen 2.938 N/A ARG 206.A NH2 ASP 204.A OD2 no hydrogen 3.096 N/A VAL 208.A N ARG 221.A O no hydrogen 2.875 N/A LEU 211.A N GLY 219.A O no hydrogen 2.920 N/A ASP 213.A N ASN 216.A O no hydrogen 2.770 N/A GLY 219.A N LEU 211.A O no hydrogen 3.436 N/A ASN 220.A N ILE 242.A O no hydrogen 2.956 N/A ARG 221.A N GLU 209.A O no hydrogen 2.882 N/A ARG 221.A NE ASP 241.A OD1 no hydrogen 3.224 N/A ARG 221.A NH2 ASP 241.A OD1 no hydrogen 3.505 N/A ARG 221.A NH2 ASP 241.A OD2 no hydrogen 3.172 N/A ARG 221.A NH2 ASP 256.A OD2 no hydrogen 2.909 N/A THR 222.A N PHE 240.A O no hydrogen 2.692 N/A THR 222.A OG1 ASN 220.A O no hydrogen 3.566 N/A ARG 223.A N ARG 206.A O no hydrogen 2.863 N/A ARG 223.A NE GLU 239.A OE2 no hydrogen 2.856 N/A ARG 223.A NH2 GLU 239.A OE2 no hydrogen 2.944 N/A VAL 224.A N ALA 238.A O no hydrogen 2.955 N/A LYS 225.A N ASP 204.A O no hydrogen 2.885 N/A VAL 226.A N LYS 236.A O no hydrogen 2.850 N/A VAL 227.A N ARG 202.A O no hydrogen 2.983 N/A LYS 228.A N ARG 202.A O no hydrogen 3.436 N/A LYS 228.A NZ LYS 196.A O no hydrogen 2.669 N/A LYS 228.A NZ PHE 197.A O no hydrogen 2.998 N/A LYS 228.A NZ ALA 199.A O no hydrogen 2.956 N/A ASN 229.A ND2 LEU 48.A O no hydrogen 3.202 N/A LYS 230.A N SER 200.A O no hydrogen 2.864 N/A CYS 231.A N ASN 229.A OD1 no hydrogen 2.979 N/A PHE 235.A N VAL 226.A O no hydrogen 2.699 N/A ALA 238.A N VAL 224.A O no hydrogen 2.916 N/A PHE 240.A N THR 222.A O no hydrogen 2.965 N/A ILE 242.A N ASN 220.A O no hydrogen 2.882 N/A LEU 243.A N GLY 247.A O no hydrogen 2.672 N/A TYR 244.A N VAL 218.A O no hydrogen 2.740 N/A LYS 246.A N LEU 243.A O no hydrogen 2.946 N/A GLY 247.A N LEU 243.A O no hydrogen 2.833 N/A ILE 248.A N HIS 75.A NE2 no hydrogen 3.291 N/A SER 249.A N ASP 241.A O no hydrogen 2.847 N/A ARG 250.A NE GLU 300.A OE1 no hydrogen 3.099 N/A ARG 250.A NH1 GLU 251.A OE2 no hydrogen 3.484 N/A ARG 250.A NH2 ASP 297.A OD1 no hydrogen 2.980 N/A ARG 250.A NH2 GLU 300.A OE1 no hydrogen 2.705 N/A GLY 252.A N SER 249.A OG no hydrogen 2.922 N/A SER 253.A N SER 249.A O no hydrogen 2.995 N/A SER 253.A OG SER 41.A OG no hydrogen 2.727 N/A LEU 254.A N ARG 250.A O no hydrogen 3.016 N/A ILE 255.A N GLU 251.A O no hydrogen 3.177 N/A ASP 256.A N GLY 252.A O no hydrogen 3.226 N/A MET 257.A N SER 253.A O no hydrogen 2.886 N/A GLY 258.A N LEU 254.A O no hydrogen 2.712 N/A VAL 259.A N ILE 255.A O no hydrogen 2.928 N/A ASP 260.A N ASP 256.A O no hydrogen 3.283 N/A GLN 261.A N MET 257.A O no hydrogen 3.226 N/A GLN 261.A N GLY 258.A O no hydrogen 3.221 N/A GLY 262.A N VAL 259.A O no hydrogen 3.336 N/A LEU 263.A N GLY 258.A O no hydrogen 3.131 N/A ILE 264.A N GLY 258.A O no hydrogen 3.306 N/A ARG 265.A N THR 272.A O no hydrogen 2.965 N/A SER 267.A OG SER 267.A O no hydrogen 2.681 N/A PHE 271.A N GLY 279.A O no hydrogen 3.005 N/A THR 272.A N ARG 265.A O no hydrogen 2.836 N/A TYR 273.A N GLU 276.A O no hydrogen 2.761 N/A TYR 273.A OH GLU 298.A OE2 no hydrogen 2.736 N/A GLU 276.A N TYR 273.A O no hydrogen 3.270 N/A LEU 278.A N PHE 271.A O no hydrogen 2.868 N/A GLY 281.A N ALA 269.A O no hydrogen 2.701 N/A ASN 284.A ND2 GLN 280.A O no hydrogen 2.729 N/A ALA 285.A N GLY 281.A O no hydrogen 3.238 N/A ARG 286.A N LYS 282.A O no hydrogen 2.587 N/A ARG 286.A NE SER 249.A OG no hydrogen 2.769 N/A ASN 287.A N GLU 283.A O no hydrogen 2.732 N/A PHE 288.A N ASN 284.A O no hydrogen 2.740 N/A LEU 289.A N ALA 285.A O no hydrogen 3.328 N/A LEU 289.A N ARG 286.A O no hydrogen 3.024 N/A VAL 290.A N ARG 286.A O no hydrogen 3.320 N/A GLU 291.A N ASN 287.A O no hydrogen 3.114 N/A ASN 292.A N PHE 288.A O no hydrogen 2.871 N/A ALA 296.A N ASN 292.A O no hydrogen 3.239 N/A ASP 297.A N ALA 293.A O no hydrogen 2.940 N/A GLU 298.A N ASP 294.A O no hydrogen 3.048 N/A ILE 299.A N VAL 295.A O no hydrogen 2.759 N/A GLU 300.A N ALA 296.A O no hydrogen 2.991 N/A LYS 301.A N ASP 297.A O no hydrogen 2.712 N/A LYS 302.A N GLU 298.A O no hydrogen 2.890 N/A ILE 303.A N ILE 299.A O no hydrogen 2.970 N/A LYS 304.A N GLU 300.A O no hydrogen 3.175 N/A LYS 304.A NZ GLU 300.A OE2 no hydrogen 3.300 N/A GLU 305.A N LYS 301.A O no hydrogen 3.180 N/A LYS 306.A N LYS 302.A O no hydrogen 2.983 N/A LEU 307.A N ILE 303.A O no hydrogen 3.159 N/A LEU 307.A N LYS 304.A O no hydrogen 3.127 N/A GLY 308.A N GLU 305.A O no hydrogen 3.297 N/A ILE 309.A N LYS 304.A O no hydrogen 3.103 N/A