Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N VAL 77.A O no hydrogen 2.786 N/A GLY 5.A N THR 99.A O no hydrogen 3.393 N/A ASN 6.A N SER 130.A OG no hydrogen 3.269 N/A LEU 9.A N GLY 5.A O no hydrogen 3.213 N/A LEU 10.A N ASN 6.A O no hydrogen 2.668 N/A LYS 11.A NZ GLU 15.A OE1 no hydrogen 3.006 N/A LYS 11.A NZ GLU 15.A OE2 no hydrogen 3.392 N/A LYS 11.A NZ TYR 17.A OH no hydrogen 3.222 N/A ALA 12.A N ILE 8.A O no hydrogen 3.135 N/A HIS 13.A N LEU 9.A O no hydrogen 2.837 N/A HIS 13.A N LEU 10.A O no hydrogen 3.082 N/A LYS 14.A N LEU 10.A O no hydrogen 3.130 N/A GLU 15.A N LYS 11.A O no hydrogen 3.194 N/A TYR 17.A N ALA 12.A O no hydrogen 2.913 N/A GLY 18.A N LEU 290.A O no hydrogen 2.950 N/A VAL 19.A N ASN 239.A O no hydrogen 2.689 N/A ALA 21.A N VAL 241.A O no hydrogen 2.888 N/A PHE 22.A N PHE 45.A O no hydrogen 3.005 N/A ASN 23.A N THR 243.A O no hydrogen 3.427 N/A ASN 23.A ND2 ASP 82.A OD2 no hydrogen 3.144 N/A PHE 24.A N GLN 47.A O no hydrogen 3.110 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.773 N/A MET 29.A N ASN 26.A OD1 no hydrogen 3.235 N/A LEU 30.A N ASN 26.A O no hydrogen 3.140 N/A ASN 31.A N PHE 27.A O no hydrogen 2.810 N/A ASN 31.A ND2 GLU 35.A OE1 no hydrogen 3.342 N/A ASN 31.A ND2 GLN 276.A OE1 no hydrogen 2.865 N/A ALA 32.A N GLU 28.A O no hydrogen 3.205 N/A ILE 33.A N MET 29.A O no hydrogen 3.065 N/A PHE 34.A N LEU 30.A O no hydrogen 3.037 N/A GLU 35.A N ASN 31.A O no hydrogen 2.982 N/A ALA 36.A N ALA 32.A O no hydrogen 3.041 N/A GLY 37.A N ILE 33.A O no hydrogen 3.008 N/A ASN 38.A N PHE 34.A O no hydrogen 2.816 N/A GLU 39.A N GLU 35.A O no hydrogen 2.779 N/A GLU 40.A N ALA 36.A O no hydrogen 2.807 N/A ASN 41.A ND2 ASN 294.A OD1 no hydrogen 3.663 N/A SER 42.A N GLY 37.A O no hydrogen 2.994 N/A SER 42.A OG PRO 43.A O no hydrogen 2.842 N/A LEU 44.A N PRO 76.A O no hydrogen 2.900 N/A ILE 46.A N ALA 78.A O no hydrogen 2.789 N/A GLN 47.A N PHE 22.A O no hydrogen 2.931 N/A GLN 47.A NE2 ASN 23.A OD1 no hydrogen 2.902 N/A ALA 48.A N HIS 80.A O no hydrogen 3.074 N/A ALA 52.A N SER 49.A OG no hydrogen 3.013 N/A ILE 53.A N SER 49.A O no hydrogen 2.979 N/A LYS 54.A N GLU 50.A O no hydrogen 2.940 N/A TYR 55.A N GLY 51.A O no hydrogen 3.047 N/A MET 56.A N ALA 52.A O no hydrogen 3.019 N/A GLY 57.A N ILE 53.A O no hydrogen 2.609 N/A MET 60.A N GLY 57.A O no hydrogen 3.053 N/A ALA 61.A N GLY 57.A O no hydrogen 2.980 N/A VAL 62.A N ILE 58.A O no hydrogen 2.984 N/A GLY 63.A N ASP 59.A O no hydrogen 2.920 N/A MET 64.A N MET 60.A O no hydrogen 2.690 N/A VAL 65.A N ALA 61.A O no hydrogen 3.388 N/A LYS 66.A N VAL 62.A O no hydrogen 3.097 N/A ILE 67.A N GLY 63.A O no hydrogen 3.199 N/A MET 68.A N MET 64.A O no hydrogen 3.003 N/A CYS 69.A N VAL 65.A O no hydrogen 2.891 N/A CYS 69.A SG VAL 65.A O no hydrogen 3.556 N/A GLU 70.A N LYS 66.A O no hydrogen 3.308 N/A ARG 71.A N ILE 67.A O no hydrogen 3.281 N/A ARG 71.A N MET 68.A O no hydrogen 3.160 N/A TYR 72.A N MET 68.A O no hydrogen 3.083 N/A TYR 72.A N CYS 69.A O no hydrogen 3.189 N/A ILE 75.A N TYR 72.A O no hydrogen 3.113 N/A VAL 77.A N MET 1.A O no hydrogen 3.144 N/A ALA 78.A N LEU 44.A O no hydrogen 3.086 N/A LEU 79.A N THR 99.A OG1 no hydrogen 3.141 N/A HIS 80.A N ILE 46.A O no hydrogen 2.768 N/A HIS 80.A ND1 SER 100.A OG no hydrogen 2.356 N/A LEU 81.A N SER 100.A O no hydrogen 2.989 N/A ASP 82.A N ALA 48.A O no hydrogen 3.058 N/A HIS 83.A ND1 ASP 104.A OD2 no hydrogen 2.740 N/A GLY 84.A N MET 102.A O no hydrogen 2.756 N/A THR 85.A N GLU 50.A OE2 no hydrogen 2.746 N/A THR 85.A OG1 GLU 50.A OE1 no hydrogen 2.692 N/A THR 85.A OG1 GLU 50.A OE2 no hydrogen 3.004 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.739 N/A SER 89.A N THR 86.A O no hydrogen 3.256 N/A SER 89.A N THR 86.A OG1 no hydrogen 3.107 N/A SER 89.A OG GLU 50.A OE2 no hydrogen 2.583 N/A CYS 90.A N THR 86.A O no hydrogen 3.243 N/A CYS 90.A SG THR 86.A O no hydrogen 3.677 N/A CYS 90.A SG MET 102.A O no hydrogen 3.728 N/A GLU 91.A N PHE 87.A O no hydrogen 2.794 N/A LYS 92.A N GLU 88.A O no hydrogen 2.937 N/A ALA 93.A N SER 89.A O no hydrogen 3.010 N/A VAL 94.A N CYS 90.A O no hydrogen 2.791 N/A LYS 95.A N GLU 91.A O no hydrogen 2.924 N/A ALA 96.A N LYS 92.A O no hydrogen 2.826 N/A ALA 96.A N ALA 93.A O no hydrogen 2.968 N/A GLY 97.A N ALA 93.A O no hydrogen 3.216 N/A GLY 97.A N VAL 94.A O no hydrogen 3.325 N/A PHE 98.A N ALA 93.A O no hydrogen 3.216 N/A THR 99.A N LEU 79.A O no hydrogen 2.967 N/A THR 99.A OG1 VAL 3.A O no hydrogen 2.938 N/A SER 100.A N LEU 79.A O no hydrogen 3.108 N/A SER 100.A OG HIS 80.A ND1 no hydrogen 2.356 N/A SER 100.A OG TYR 160.A OH no hydrogen 2.649 N/A VAL 101.A N SER 130.A O no hydrogen 3.086 N/A MET 102.A N LEU 81.A O no hydrogen 2.800 N/A ILE 103.A N GLU 132.A O no hydrogen 2.904 N/A ASP 104.A N GLY 84.A O no hydrogen 2.909 N/A SER 106.A N ASP 104.A OD1 no hydrogen 3.168 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 3.146 N/A SER 106.A OG GLY 136.A O no hydrogen 3.326 N/A HIS 108.A N ALA 105.A O no hydrogen 3.076 N/A ASN 113.A N ALA 109.A O no hydrogen 2.946 N/A ASN 113.A ND2 GLU 134.A O no hydrogen 2.718 N/A LEU 114.A N PHE 110.A O no hydrogen 2.881 N/A GLU 115.A N GLU 111.A O no hydrogen 2.884 N/A LEU 116.A N GLU 112.A O no hydrogen 2.875 N/A THR 117.A N ASN 113.A O no hydrogen 2.770 N/A THR 117.A OG1 ASN 113.A O no hydrogen 2.855 N/A THR 117.A OG1 ASN 113.A OD1 no hydrogen 2.963 N/A SER 118.A N LEU 114.A O no hydrogen 2.856 N/A SER 118.A OG LEU 114.A O no hydrogen 2.654 N/A LYS 119.A N GLU 115.A O no hydrogen 3.277 N/A VAL 120.A N LEU 116.A O no hydrogen 2.932 N/A VAL 121.A N THR 117.A O no hydrogen 2.783 N/A LYS 122.A N SER 118.A O no hydrogen 3.226 N/A MET 123.A N LYS 119.A O no hydrogen 3.526 N/A ALA 124.A N VAL 120.A O no hydrogen 2.839 N/A HIS 125.A N VAL 121.A O no hydrogen 2.767 N/A HIS 125.A NE2 ASP 159.A OD1 no hydrogen 2.453 N/A ASN 126.A N LYS 122.A O no hydrogen 3.115 N/A ALA 127.A N ALA 124.A O no hydrogen 2.756 N/A GLY 128.A N HIS 125.A O no hydrogen 3.186 N/A VAL 129.A N ALA 124.A O no hydrogen 3.134 N/A SER 130.A N THR 99.A O no hydrogen 3.253 N/A VAL 131.A N ASP 159.A OD1 no hydrogen 3.083 N/A GLU 132.A N VAL 101.A O no hydrogen 2.710 N/A ALA 133.A N TYR 160.A O no hydrogen 3.355 N/A LEU 135.A N ALA 162.A O no hydrogen 3.346 N/A ARG 137.A N VAL 142.A O no hydrogen 2.923 N/A MET 139.A N ARG 137.A O no hydrogen 2.924 N/A VAL 144.A N ALA 164.A O no hydrogen 3.081 N/A GLU 148.A N ASN 145.A OD1 no hydrogen 3.384 N/A ALA 149.A N ASN 145.A O no hydrogen 3.048 N/A GLU 150.A N PRO 146.A O no hydrogen 2.770 N/A GLN 151.A N LYS 147.A O no hydrogen 3.067 N/A GLN 151.A NE2 GLU 155.A OE1 no hydrogen 3.186 N/A PHE 152.A N GLU 148.A O no hydrogen 2.497 N/A VAL 153.A N ALA 149.A O no hydrogen 2.749 N/A LYS 154.A N GLU 150.A O no hydrogen 3.068 N/A GLU 155.A N GLN 151.A O no hydrogen 2.906 N/A SER 156.A N PHE 152.A O no hydrogen 3.065 N/A SER 156.A OG PHE 152.A O no hydrogen 2.995 N/A SER 156.A OG VAL 153.A O no hydrogen 3.529 N/A GLN 157.A N VAL 153.A O no hydrogen 2.950 N/A TYR 160.A N VAL 131.A O no hydrogen 3.317 N/A TYR 160.A OH SER 100.A OG no hydrogen 2.649 N/A LEU 161.A N PRO 195.A O no hydrogen 3.248 N/A ALA 162.A N ALA 133.A O no hydrogen 2.875 N/A ALA 164.A N LEU 135.A O no hydrogen 3.056 N/A THR 167.A OG1 HIS 199.A O no hydrogen 2.460 N/A LYS 173.A N LYS 223.A O no hydrogen 3.050 N/A LYS 173.A NZ SER 168.A O no hydrogen 2.748 N/A LYS 173.A NZ GLY 170.A O no hydrogen 2.663 N/A ASP 181.A N ILE 165.A O no hydrogen 3.153 N/A ARG 184.A N ASP 181.A OD1 no hydrogen 2.980 N/A ARG 184.A NE ASP 181.A OD2 no hydrogen 2.848 N/A ARG 184.A NH1 VAL 144.A O no hydrogen 2.610 N/A LEU 185.A N ASP 181.A O no hydrogen 3.138 N/A GLN 186.A N PHE 182.A O no hydrogen 2.711 N/A GLU 187.A N GLU 183.A O no hydrogen 2.918 N/A VAL 188.A N ARG 184.A O no hydrogen 3.006 N/A LYS 189.A N LEU 185.A O no hydrogen 2.879 N/A LYS 189.A NZ HIS 13.A ND1 no hydrogen 2.613 N/A LYS 189.A NZ ILE 194.A O no hydrogen 2.909 N/A LYS 189.A NZ GLY 237.A O no hydrogen 3.065 N/A LYS 189.A NZ ASN 239.A OD1 no hydrogen 2.931 N/A ARG 190.A N GLN 186.A O no hydrogen 2.786 N/A LEU 191.A N GLU 187.A O no hydrogen 2.815 N/A THR 192.A N VAL 188.A O no hydrogen 2.942 N/A THR 192.A OG1 VAL 188.A O no hydrogen 2.635 N/A ASN 193.A N LYS 189.A O no hydrogen 2.705 N/A LEU 196.A N ASN 239.A OD1 no hydrogen 3.389 N/A VAL 197.A N LEU 161.A O no hydrogen 2.755 N/A LEU 198.A N LYS 240.A O no hydrogen 2.651 N/A HIS 199.A NE2 GLU 132.A OE2 no hydrogen 2.658 N/A ALA 201.A N ASN 242.A O no hydrogen 3.290 N/A ALA 203.A N ASP 246.A OD2 no hydrogen 2.815 N/A ILE 204.A N ASP 246.A OD1 no hydrogen 2.878 N/A ILE 204.A N ASP 246.A OD2 no hydrogen 3.277 N/A ARG 209.A N PRO 205.A O no hydrogen 3.000 N/A ARG 209.A NH1 SER 222.A O no hydrogen 3.145 N/A ARG 209.A NH2 SER 222.A O no hydrogen 3.380 N/A LYS 210.A N ASP 206.A O no hydrogen 2.867 N/A SER 211.A N ASN 207.A O no hydrogen 2.807 N/A SER 211.A OG GLU 254.A OE2 no hydrogen 3.397 N/A TYR 212.A N VAL 208.A O no hydrogen 3.059 N/A LEU 213.A N ARG 209.A O no hydrogen 2.774 N/A ASP 214.A N LYS 210.A O no hydrogen 2.799 N/A ALA 215.A N TYR 212.A O no hydrogen 3.173 N/A GLY 216.A N LEU 213.A O no hydrogen 3.170 N/A GLY 217.A N TYR 212.A O no hydrogen 3.043 N/A LYS 220.A N ASP 218.A OD1 no hydrogen 3.286 N/A LYS 220.A NZ ASP 218.A OD1 no hydrogen 2.887 N/A LYS 220.A NZ ASP 218.A OD2 no hydrogen 3.504 N/A SER 222.A N LEU 219.A O no hydrogen 3.382 N/A SER 222.A OG LEU 219.A O no hydrogen 2.862 N/A LYS 223.A N ALA 171.A O no hydrogen 2.585 N/A VAL 225.A N SER 202.A O no hydrogen 2.807 N/A LEU 230.A N PRO 226.A O no hydrogen 2.916 N/A GLN 231.A N PHE 227.A O no hydrogen 2.739 N/A GLU 232.A N GLU 228.A O no hydrogen 2.755 N/A SER 233.A N PHE 229.A O no hydrogen 2.861 N/A SER 233.A OG PHE 229.A O no hydrogen 2.661 N/A VAL 234.A N LEU 230.A O no hydrogen 3.304 N/A LYS 235.A N GLN 231.A O no hydrogen 3.181 N/A GLY 236.A N GLU 232.A O no hydrogen 2.934 N/A GLY 237.A N VAL 234.A O no hydrogen 3.109 N/A ILE 238.A N SER 233.A O no hydrogen 3.030 N/A ASN 239.A N LEU 196.A O no hydrogen 2.704 N/A ASN 239.A ND2 TYR 17.A O no hydrogen 3.101 N/A LYS 240.A N LEU 196.A O no hydrogen 3.128 N/A LYS 240.A NZ GLN 47.A OE1 no hydrogen 3.045 N/A LYS 240.A NZ GLU 132.A OE1 no hydrogen 3.279 N/A LYS 240.A NZ ASN 242.A OD1 no hydrogen 2.672 N/A VAL 241.A N VAL 19.A O no hydrogen 3.009 N/A ASN 242.A N LEU 198.A O no hydrogen 2.848 N/A THR 243.A N ALA 21.A O no hydrogen 2.756 N/A THR 243.A OG1 VAL 241.A O no hydrogen 2.896 N/A ASP 246.A N SER 202.A OG no hydrogen 3.066 N/A ARG 248.A N ASP 244.A O no hydrogen 3.217 N/A ARG 248.A NH1 ASP 244.A OD2 no hydrogen 2.638 N/A ILE 249.A N THR 245.A O no hydrogen 3.016 N/A ALA 250.A N ASP 246.A O no hydrogen 3.114 N/A PHE 251.A N LEU 247.A O no hydrogen 2.863 N/A ILE 252.A N ARG 248.A O no hydrogen 2.903 N/A ALA 253.A N ILE 249.A O no hydrogen 2.897 N/A VAL 255.A N PHE 251.A O no hydrogen 3.272 N/A ARG 256.A N ILE 252.A O no hydrogen 2.730 N/A LYS 257.A N ALA 253.A O no hydrogen 2.973 N/A VAL 258.A N GLU 254.A O no hydrogen 2.971 N/A ALA 259.A N VAL 255.A O no hydrogen 3.031 N/A ASN 260.A N ARG 256.A O no hydrogen 2.958 N/A ASN 260.A ND2 ALA 215.A O no hydrogen 2.670 N/A GLU 261.A N LYS 257.A O no hydrogen 2.875 N/A SER 264.A N ASP 262.A OD1 no hydrogen 2.953 N/A SER 264.A OG ASP 262.A OD1 no hydrogen 3.006 N/A GLN 265.A N ASP 262.A O no hydrogen 3.103 N/A ASP 267.A N GLN 265.A OE1 no hydrogen 2.814 N/A ARG 269.A N ASP 267.A OD1 no hydrogen 2.959 N/A LYS 270.A N ASP 267.A O no hydrogen 2.833 N/A PHE 271.A N LEU 268.A O no hydrogen 2.866 N/A PHE 272.A N LEU 268.A O no hydrogen 2.985 N/A SER 273.A N ARG 269.A O no hydrogen 2.974 N/A SER 273.A OG ARG 269.A O no hydrogen 3.107 N/A GLN 276.A N PHE 272.A O no hydrogen 2.938 N/A LEU 277.A N SER 273.A O no hydrogen 3.126 N/A ALA 278.A N PRO 274.A O no hydrogen 2.960 N/A LEU 279.A N ALA 275.A O no hydrogen 3.041 N/A LYS 280.A N GLN 276.A O no hydrogen 2.916 N/A LYS 280.A NZ GLU 39.A OE1 no hydrogen 3.020 N/A LYS 280.A NZ GLU 39.A OE2 no hydrogen 2.944 N/A ASN 281.A N LEU 277.A O no hydrogen 3.034 N/A VAL 282.A N ALA 278.A O no hydrogen 3.103 N/A VAL 283.A N LEU 279.A O no hydrogen 2.942 N/A LYS 284.A N LYS 280.A O no hydrogen 2.858 N/A LYS 284.A NZ GLU 39.A OE1 no hydrogen 2.952 N/A GLU 285.A N ASN 281.A O no hydrogen 3.056 N/A ARG 286.A N VAL 282.A O no hydrogen 2.990 N/A ARG 286.A NH1 ASP 246.A OD2 no hydrogen 3.126 N/A ARG 286.A NH2 ASP 246.A OD2 no hydrogen 2.916 N/A MET 287.A N VAL 283.A O no hydrogen 2.934 N/A LYS 288.A N LYS 284.A O no hydrogen 3.247 N/A LEU 289.A N GLU 285.A O no hydrogen 3.001 N/A LEU 290.A N ARG 286.A O no hydrogen 3.108 N/A GLY 291.A N LYS 288.A O no hydrogen 3.313 N/A SER 292.A N MET 287.A O no hydrogen 2.817 N/A SER 292.A OG GLY 18.A O no hydrogen 2.766 N/A ALA 293.A N MET 287.A O no hydrogen 3.130 N/A ASN 294.A N GLU 40.A O no hydrogen 2.809 N/A LYS 295.A N ASN 41.A O no hydrogen 2.954 N/A LYS 295.A N SER 292.A O no hydrogen 3.239 N/A LYS 295.A NZ GLU 15.A OE1 no hydrogen 3.105 N/A ILE 296.A N ASN 41.A O no hydrogen 3.203 N/A