Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ASP 1.A O no hydrogen 2.991 N/A GLU 6.A N GLU 2.A O no hydrogen 2.946 N/A LYS 7.A N GLU 3.A O no hydrogen 2.959 N/A LEU 8.A N ILE 4.A O no hydrogen 2.957 N/A ARG 9.A N LEU 5.A O no hydrogen 2.929 N/A ARG 9.A NE GLU 6.A OE2 no hydrogen 2.996 N/A ARG 9.A NH2 GLU 6.A OE1 no hydrogen 2.553 N/A ARG 9.A NH2 GLU 6.A OE2 no hydrogen 3.537 N/A SER 10.A N GLU 6.A O no hydrogen 3.072 N/A SER 10.A N LYS 7.A O no hydrogen 3.206 N/A SER 10.A OG LYS 7.A O no hydrogen 2.706 N/A ILE 11.A N LYS 7.A O no hydrogen 3.323 N/A ILE 11.A N LEU 8.A O no hydrogen 2.967 N/A VAL 12.A N LEU 8.A O no hydrogen 3.056 N/A SER 13.A N SER 84.A O no hydrogen 2.888 N/A SER 13.A OG ASP 83.A OD1 no hydrogen 2.548 N/A SER 13.A OG ASP 83.A OD2 no hydrogen 3.467 N/A LYS 18.A N ASP 16.A OD1 no hydrogen 2.706 N/A LYS 19.A NZ LYS 19.A O no hydrogen 2.547 N/A THR 22.A N MET 39.A O no hydrogen 2.954 N/A GLU 25.A N THR 37.A O no hydrogen 2.917 N/A ILE 27.A N VAL 35.A O no hydrogen 2.919 N/A GLY 28.A N VAL 35.A O no hydrogen 3.138 N/A GLY 30.A N GLY 33.A O no hydrogen 2.999 N/A THR 34.A N GLN 51.A O no hydrogen 2.791 N/A VAL 35.A N GLY 28.A O no hydrogen 2.836 N/A TYR 36.A N ILE 49.A O no hydrogen 2.727 N/A TYR 36.A OH GLN 51.A OE1 no hydrogen 3.272 N/A THR 37.A N GLU 25.A O no hydrogen 2.797 N/A THR 37.A OG1 GLU 25.A O no hydrogen 3.512 N/A ALA 38.A N VAL 47.A O no hydrogen 2.908 N/A MET 39.A N THR 22.A O no hydrogen 2.941 N/A ASP 40.A N GLN 45.A O no hydrogen 2.802 N/A VAL 41.A N LYS 20.A O no hydrogen 2.817 N/A ALA 42.A N ASP 40.A OD1 no hydrogen 2.657 N/A THR 43.A N ASP 40.A OD1 no hydrogen 3.234 N/A GLY 44.A N ASP 40.A O no hydrogen 3.003 N/A GLN 45.A N THR 43.A OG1 no hydrogen 3.200 N/A VAL 47.A N ALA 38.A O no hydrogen 2.849 N/A ALA 48.A N MET 95.A O no hydrogen 2.861 N/A ILE 49.A N TYR 36.A O no hydrogen 2.658 N/A ARG 50.A N VAL 93.A O no hydrogen 2.996 N/A ARG 50.A NH2 GLU 66.A OE2 no hydrogen 3.260 N/A GLN 51.A N THR 34.A O no hydrogen 2.647 N/A MET 52.A N LEU 91.A O no hydrogen 2.881 N/A LEU 54.A N ASP 89.A O no hydrogen 2.764 N/A GLN 55.A N ASN 53.A OD1 no hydrogen 3.025 N/A GLN 56.A N ASN 53.A O no hydrogen 3.060 N/A GLN 57.A N LEU 54.A O no hydrogen 3.154 N/A GLN 57.A NE2 SER 32.A O no hydrogen 3.485 N/A LYS 60.A NZ ASP 1.A OD1 no hydrogen 3.262 N/A LYS 60.A NZ ASP 1.A OD2 no hydrogen 2.917 N/A LYS 60.A NZ LEU 54.A O no hydrogen 3.388 N/A LEU 62.A N LYS 59.A O no hydrogen 3.153 N/A ILE 64.A N LYS 60.A O no hydrogen 3.194 N/A ASN 65.A N GLU 61.A O no hydrogen 2.881 N/A ASN 65.A ND2 CYS 162.A O no hydrogen 3.648 N/A GLU 66.A N LEU 62.A O no hydrogen 2.839 N/A ILE 67.A N ILE 63.A O no hydrogen 3.014 N/A LEU 68.A N ILE 64.A O no hydrogen 3.016 N/A VAL 69.A N ASN 65.A O no hydrogen 2.964 N/A MET 70.A N GLU 66.A O no hydrogen 2.977 N/A ARG 71.A N ILE 67.A O no hydrogen 2.854 N/A ARG 71.A NE GLU 72.A OE2 no hydrogen 2.984 N/A ARG 71.A NH2 GLU 72.A OE2 no hydrogen 3.449 N/A GLU 72.A N LEU 68.A O no hydrogen 3.276 N/A GLU 72.A N VAL 69.A O no hydrogen 3.211 N/A ASN 73.A N MET 70.A O no hydrogen 3.365 N/A ASN 73.A ND2 VAL 69.A O no hydrogen 2.846 N/A LYS 74.A NZ ASN 80.A OD1 no hydrogen 2.933 N/A LYS 74.A NZ TYR 81.A O no hydrogen 3.055 N/A ASN 77.A N ASN 75.A OD1 no hydrogen 2.936 N/A ILE 78.A N ASN 75.A O no hydrogen 2.987 N/A VAL 79.A N LEU 156.A O no hydrogen 2.891 N/A ASN 80.A N GLU 96.A OE2 no hydrogen 2.800 N/A TYR 81.A OH SER 84.A OG no hydrogen 2.963 N/A LEU 82.A N VAL 94.A O no hydrogen 2.837 N/A ASP 83.A N VAL 94.A O no hydrogen 3.339 N/A SER 84.A N ASP 83.A OD1 no hydrogen 2.925 N/A SER 84.A OG TYR 81.A OH no hydrogen 2.963 N/A TYR 85.A N TRP 92.A O no hydrogen 3.004 N/A VAL 87.A N GLU 90.A O no hydrogen 2.821 N/A GLU 90.A N VAL 87.A O no hydrogen 2.897 N/A LEU 91.A N MET 52.A O no hydrogen 2.875 N/A TRP 92.A N TYR 85.A O no hydrogen 2.853 N/A TRP 92.A NE1 GLU 90.A OE2 no hydrogen 3.265 N/A VAL 93.A N ARG 50.A O no hydrogen 3.022 N/A VAL 94.A N ASP 83.A O no hydrogen 2.756 N/A MET 95.A N ALA 48.A O no hydrogen 2.897 N/A GLU 96.A N ASN 80.A O no hydrogen 2.897 N/A TYR 97.A N GLU 46.A O no hydrogen 3.289 N/A GLY 100.A N LEU 148.A O no hydrogen 2.812 N/A SER 102.A N ASP 105.A OD2 no hydrogen 3.212 N/A LEU 103.A N ILE 146.A O no hydrogen 2.902 N/A THR 104.A OG1 SER 143.A OG no hydrogen 2.642 N/A VAL 106.A N SER 102.A O no hydrogen 3.398 N/A VAL 107.A N LEU 103.A O no hydrogen 2.923 N/A THR 108.A N THR 104.A O no hydrogen 3.096 N/A THR 108.A OG1 THR 104.A O no hydrogen 2.797 N/A THR 108.A OG1 ASP 105.A O no hydrogen 3.374 N/A GLU 109.A N VAL 106.A O no hydrogen 3.380 N/A THR 110.A N VAL 106.A O no hydrogen 2.948 N/A THR 110.A OG1 VAL 106.A O no hydrogen 2.716 N/A ASP 113.A N GLN 116.A OE1 no hydrogen 2.972 N/A GLN 116.A N ASP 113.A OD1 no hydrogen 2.861 N/A GLN 116.A NE2 SER 279.A O no hydrogen 3.010 N/A ILE 117.A N ASP 113.A O no hydrogen 2.970 N/A ALA 118.A N GLU 114.A O no hydrogen 2.858 N/A ALA 119.A N GLY 115.A O no hydrogen 3.196 N/A VAL 120.A N GLN 116.A O no hydrogen 3.164 N/A CYS 121.A N ILE 117.A O no hydrogen 2.902 N/A CYS 121.A SG ILE 117.A O no hydrogen 3.438 N/A ARG 122.A N ALA 118.A O no hydrogen 2.920 N/A ARG 122.A NE GLU 123.A OE2 no hydrogen 2.997 N/A ARG 122.A NH2 GLU 123.A OE2 no hydrogen 2.892 N/A GLU 123.A N ALA 119.A O no hydrogen 3.072 N/A CYS 124.A N VAL 120.A O no hydrogen 2.945 N/A CYS 124.A SG VAL 120.A O no hydrogen 3.370 N/A LEU 125.A N CYS 121.A O no hydrogen 2.890 N/A GLN 126.A N ARG 122.A O no hydrogen 2.924 N/A GLN 126.A NE2 GLU 123.A OE2 no hydrogen 3.170 N/A ALA 127.A N GLU 123.A O no hydrogen 3.227 N/A LEU 128.A N CYS 124.A O no hydrogen 2.934 N/A GLU 129.A N LEU 125.A O no hydrogen 2.807 N/A PHE 130.A N GLN 126.A O no hydrogen 3.190 N/A LEU 131.A N ALA 127.A O no hydrogen 2.955 N/A HIS 132.A N LEU 128.A O no hydrogen 2.832 N/A HIS 132.A NE2 ASP 196.A OD2 no hydrogen 2.973 N/A SER 133.A N GLU 129.A O no hydrogen 3.026 N/A SER 133.A OG PHE 130.A O no hydrogen 2.928 N/A ASN 134.A N PHE 130.A O no hydrogen 3.159 N/A ASN 134.A N LEU 131.A O no hydrogen 2.905 N/A GLN 135.A N HIS 132.A O no hydrogen 3.064 N/A GLN 135.A NE2 SER 133.A O no hydrogen 3.301 N/A VAL 136.A N LEU 131.A O no hydrogen 2.878 N/A ILE 137.A N ALA 163.A O no hydrogen 2.871 N/A HIS 138.A N ASP 196.A OD2 no hydrogen 2.908 N/A HIS 138.A NE2 THR 157.A O no hydrogen 2.951 N/A ARG 139.A N ASP 196.A OD1 no hydrogen 2.939 N/A ARG 139.A NE PHE 161.A O no hydrogen 2.849 N/A ARG 139.A NH2 PHE 161.A O no hydrogen 3.211 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 3.021 N/A LYS 142.A NZ THR 177.A OG1 no hydrogen 2.847 N/A SER 143.A N GLU 206.A OE1 no hydrogen 3.212 N/A SER 143.A OG THR 104.A OG1 no hydrogen 2.642 N/A SER 143.A OG GLU 206.A OE1 no hydrogen 3.373 N/A SER 143.A OG GLU 206.A OE2 no hydrogen 2.543 N/A ASN 145.A N LYS 142.A O no hydrogen 2.904 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.868 N/A ILE 146.A N SER 143.A O no hydrogen 3.186 N/A LEU 147.A N LYS 155.A O no hydrogen 2.790 N/A LEU 148.A N GLY 101.A O no hydrogen 3.036 N/A GLY 149.A N SER 153.A O no hydrogen 2.971 N/A GLY 152.A N GLY 149.A O no hydrogen 2.956 N/A SER 153.A N ASP 151.A OD2 no hydrogen 3.105 N/A SER 153.A OG ASP 151.A OD2 no hydrogen 3.200 N/A LYS 155.A N LEU 147.A O no hydrogen 2.916 N/A LYS 155.A NZ GLU 96.A OE1 no hydrogen 3.418 N/A LYS 155.A NZ GLU 96.A OE2 no hydrogen 2.879 N/A LEU 156.A N ASN 77.A O no hydrogen 2.877 N/A THR 157.A N ASN 145.A O no hydrogen 2.961 N/A GLY 160.A N ASP 158.A OD1 no hydrogen 2.852 N/A CYS 162.A N PHE 159.A O no hydrogen 3.407 N/A CYS 162.A SG PHE 159.A O no hydrogen 3.461 N/A ALA 163.A N ILE 137.A O no hydrogen 2.885 N/A ILE 165.A N GLN 135.A O no hydrogen 3.071 N/A THR 166.A N GLN 169.A O no hydrogen 3.130 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 3.256 N/A GLN 169.A N THR 166.A OG1 no hydrogen 3.258 N/A GLN 169.A NE2 LYS 171.A O no hydrogen 2.676 N/A ARG 172.A N TYR 191.A O no hydrogen 2.903 N/A ARG 172.A NH2 GLN 164.A O no hydrogen 2.797 N/A THR 177.A N ASP 140.A OD1 no hydrogen 3.134 N/A THR 177.A OG1 ASP 140.A OD1 no hydrogen 2.748 N/A TYR 179.A OH GLU 217.A O no hydrogen 2.706 N/A TRP 180.A N THR 177.A O no hydrogen 3.015 N/A TRP 180.A NE1 GLU 206.A OE1 no hydrogen 2.690 N/A MET 181.A N PRO 178.A O no hydrogen 3.343 N/A GLU 184.A N GLU 184.A OE2 no hydrogen 2.891 N/A VAL 185.A N ALA 182.A O no hydrogen 3.081 N/A VAL 186.A N PRO 183.A O no hydrogen 3.028 N/A THR 187.A N PRO 183.A O no hydrogen 2.960 N/A THR 187.A OG1 PRO 183.A O no hydrogen 3.378 N/A ARG 188.A N GLU 184.A O no hydrogen 2.979 N/A TYR 191.A N ARG 172.A O no hydrogen 2.843 N/A LYS 194.A NZ VAL 256.A O no hydrogen 3.037 N/A LYS 194.A NZ ARG 259.A O no hydrogen 2.855 N/A VAL 195.A N GLY 192.A O no hydrogen 3.082 N/A ASP 196.A N PRO 193.A O no hydrogen 2.937 N/A ILE 197.A N LYS 194.A O no hydrogen 3.080 N/A TRP 198.A N LYS 194.A O no hydrogen 3.139 N/A SER 199.A N VAL 195.A O no hydrogen 3.155 N/A SER 199.A OG TRP 180.A O no hydrogen 2.726 N/A SER 199.A OG VAL 195.A O no hydrogen 3.197 N/A LEU 200.A N ASP 196.A O no hydrogen 2.996 N/A GLY 201.A N ILE 197.A O no hydrogen 3.038 N/A ILE 202.A N TRP 198.A O no hydrogen 3.029 N/A MET 203.A N SER 199.A O no hydrogen 2.914 N/A ALA 204.A N LEU 200.A O no hydrogen 2.917 N/A ILE 205.A N GLY 201.A O no hydrogen 3.013 N/A GLU 206.A N ILE 202.A O no hydrogen 2.958 N/A MET 207.A N MET 203.A O no hydrogen 2.994 N/A ILE 208.A N ALA 204.A O no hydrogen 3.052 N/A GLU 209.A N ILE 205.A O no hydrogen 2.834 N/A GLY 210.A N GLU 206.A O no hydrogen 2.756 N/A GLU 217.A N TYR 214.A O no hydrogen 2.902 N/A LEU 220.A N ASN 218.A OD1 no hydrogen 2.965 N/A ARG 221.A NH1 GLU 217.A OE2 no hydrogen 3.313 N/A ALA 222.A N ASN 218.A O no hydrogen 2.991 N/A LEU 223.A N PRO 219.A O no hydrogen 3.110 N/A TYR 224.A N LEU 220.A O no hydrogen 3.489 N/A LEU 225.A N ARG 221.A O no hydrogen 2.903 N/A ILE 226.A N ALA 222.A O no hydrogen 2.763 N/A ALA 227.A N LEU 223.A O no hydrogen 3.129 N/A THR 228.A N TYR 224.A O no hydrogen 2.972 N/A THR 228.A OG1 TYR 224.A O no hydrogen 3.001 N/A ASN 229.A N LEU 225.A O no hydrogen 2.768 N/A ASN 229.A ND2 TYR 214.A OH no hydrogen 2.914 N/A GLY 230.A N ILE 226.A O no hydrogen 3.036 N/A THR 231.A OG1 LEU 252.A O no hydrogen 2.864 N/A GLN 235.A N GLU 209.A OE2 no hydrogen 2.752 N/A LYS 239.A N ASN 236.A O no hydrogen 3.101 N/A LEU 240.A N PRO 237.A O no hydrogen 3.123 N/A SER 241.A N GLU 114.A OE2 no hydrogen 2.802 N/A SER 241.A OG GLU 114.A OE1 no hydrogen 2.642 N/A SER 241.A OG GLU 114.A OE2 no hydrogen 3.521 N/A PHE 244.A N SER 241.A OG no hydrogen 3.139 N/A ARG 245.A N SER 241.A O no hydrogen 3.003 N/A ARG 245.A NH1 PRO 237.A O no hydrogen 3.323 N/A ASP 246.A N ALA 242.A O no hydrogen 2.993 N/A PHE 247.A N ILE 243.A O no hydrogen 2.974 N/A LEU 248.A N PHE 244.A O no hydrogen 2.875 N/A ASN 249.A N ARG 245.A O no hydrogen 2.956 N/A ARG 250.A N ASP 246.A O no hydrogen 3.049 N/A ARG 250.A NE ASP 246.A OD2 no hydrogen 2.940 N/A CYS 251.A N PHE 247.A O no hydrogen 3.147 N/A CYS 251.A SG PHE 247.A O no hydrogen 3.570 N/A LEU 252.A N LEU 248.A O no hydrogen 2.972 N/A ASP 255.A N GLU 253.A OE2 no hydrogen 3.345 N/A GLU 257.A N ASP 255.A OD1 no hydrogen 2.946 N/A LYS 258.A N ASP 255.A O no hydrogen 2.881 N/A ARG 259.A N ASP 255.A O no hydrogen 2.900 N/A ARG 259.A NE GLU 253.A O no hydrogen 2.956 N/A ARG 259.A NH1 GLU 184.A OE1 no hydrogen 2.868 N/A ARG 259.A NH1 LYS 194.A O no hydrogen 3.031 N/A ARG 259.A NH2 GLU 184.A OE1 no hydrogen 3.552 N/A ARG 259.A NH2 GLU 184.A OE2 no hydrogen 2.929 N/A ARG 259.A NH2 GLU 253.A O no hydrogen 3.109 N/A GLY 260.A N ARG 250.A O no hydrogen 2.987 N/A SER 261.A N GLU 264.A OE1 no hydrogen 2.948 N/A GLU 264.A N SER 261.A OG no hydrogen 3.172 N/A LEU 265.A N SER 261.A O no hydrogen 3.001 N/A ILE 266.A N ALA 262.A O no hydrogen 3.045 N/A GLN 267.A N GLU 264.A O no hydrogen 3.179 N/A HIS 268.A N LEU 265.A O no hydrogen 2.936 N/A HIS 268.A NE2 ASP 246.A OD2 no hydrogen 2.764 N/A PHE 270.A N HIS 268.A ND1 no hydrogen 2.992 N/A LEU 271.A N HIS 268.A O no hydrogen 3.123 N/A LYS 272.A N GLN 269.A O no hydrogen 3.048 N/A ILE 273.A N PHE 270.A O no hydrogen 3.145 N/A ALA 274.A N LEU 271.A O no hydrogen 3.139 N/A LYS 275.A N GLY 115.A O no hydrogen 3.062 N/A LYS 275.A NZ ASP 113.A OD2 no hydrogen 2.641 N/A SER 279.A N PRO 276.A O no hydrogen 2.937 N/A SER 279.A OG PRO 276.A O no hydrogen 2.894 N/A LEU 280.A N LEU 277.A O no hydrogen 2.954 N/A THR 281.A N SER 278.A O no hydrogen 3.102 N/A THR 281.A OG1 MET 150.A O no hydrogen 2.827 N/A THR 281.A OG1 SER 278.A O no hydrogen 3.344 N/A ILE 284.A N LEU 280.A O no hydrogen 2.954 N/A ALA 285.A N THR 281.A O no hydrogen 2.915 N/A ALA 286.A N PRO 282.A O no hydrogen 3.027 N/A ALA 287.A N LEU 283.A O no hydrogen 2.843 N/A LYS 288.A N ILE 284.A O no hydrogen 2.941 N/A LYS 288.A NZ ALA 99.A O no hydrogen 3.149 N/A GLU 289.A N ALA 285.A O no hydrogen 2.992 N/A ALA 290.A N ALA 286.A O no hydrogen 2.949 N/A THR 291.A N ALA 287.A O no hydrogen 2.950 N/A THR 291.A OG1 ALA 287.A O no hydrogen 3.097 N/A THR 291.A OG1 LYS 288.A O no hydrogen 3.515 N/A LYS 292.A N LYS 288.A O no hydrogen 2.960 N/A LYS 292.A N GLU 289.A O no hydrogen 3.206 N/A LYS 292.A NZ THR 291.A O no hydrogen 3.455 N/A