Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c57_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N ASP 3.A OD1 no hydrogen 2.558 N/A PHE 4.A N GLN 1.A O no hydrogen 3.161 N/A VAL 5.A N SER 2.A O no hydrogen 3.453 N/A GLY 6.A N VAL 18.A O no hydrogen 2.934 N/A VAL 9.A N LEU 16.A O no hydrogen 2.784 N/A LEU 11.A N LEU 14.A O no hydrogen 3.128 N/A LEU 14.A N LEU 11.A O no hydrogen 3.343 N/A ARG 15.A N ASP 35.A OD2 no hydrogen 3.182 N/A ARG 15.A NE GLU 10.A OE2 no hydrogen 2.804 N/A LEU 16.A N VAL 9.A O no hydrogen 2.724 N/A ARG 17.A N GLN 34.A O no hydrogen 2.868 N/A ARG 17.A NE THR 8.A OG1 no hydrogen 3.258 N/A ARG 17.A NH2 THR 8.A OG1 no hydrogen 3.119 N/A VAL 18.A N GLN 7.A O no hydrogen 2.806 N/A ARG 19.A N GLU 32.A O no hydrogen 2.782 N/A ARG 19.A NE GLN 34.A OE1 no hydrogen 2.945 N/A LEU 22.A N VAL 30.A O no hydrogen 2.582 N/A ALA 23.A N VAL 30.A O no hydrogen 3.189 N/A GLY 25.A N ALA 28.A O no hydrogen 2.972 N/A PHE 29.A N ARG 46.A O no hydrogen 2.788 N/A VAL 30.A N ALA 23.A O no hydrogen 2.729 N/A TYR 31.A N LEU 44.A O no hydrogen 2.632 N/A TYR 31.A OH GLN 1.A O no hydrogen 2.702 N/A GLU 32.A N ARG 20.A O no hydrogen 2.800 N/A ALA 33.A N TYR 42.A O no hydrogen 3.005 N/A GLN 34.A N ARG 17.A O no hydrogen 2.907 N/A GLN 34.A NE2 GLY 39.A O no hydrogen 3.127 N/A ASP 35.A N ARG 40.A O no hydrogen 2.817 N/A VAL 36.A N ARG 15.A O no hydrogen 3.054 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 2.755 N/A SER 38.A N ASP 35.A OD1 no hydrogen 2.767 N/A GLY 39.A N ASP 35.A O no hydrogen 2.987 N/A ARG 40.A N SER 38.A OG no hydrogen 2.966 N/A TYR 42.A N ALA 33.A O no hydrogen 2.741 N/A ALA 43.A N THR 99.A O no hydrogen 2.944 N/A LEU 44.A N TYR 31.A O no hydrogen 2.792 N/A LYS 45.A N LEU 97.A O no hydrogen 2.689 N/A LYS 45.A NZ ASP 167.A OD1 no hydrogen 3.511 N/A ARG 46.A N PHE 29.A O no hydrogen 2.724 N/A ARG 46.A NE GLU 94.A OE2 no hydrogen 2.688 N/A ARG 46.A NH2 GLU 94.A OE2 no hydrogen 3.292 N/A LEU 47.A N PHE 95.A O no hydrogen 2.812 N/A LEU 48.A N PHE 27.A O no hydrogen 3.342 N/A SER 49.A N ALA 93.A O no hydrogen 3.265 N/A ASN 50.A ND2 GLY 91.A O no hydrogen 2.950 N/A GLU 51.A N SER 49.A OG no hydrogen 3.259 N/A LYS 54.A N GLU 51.A O no hydrogen 3.148 N/A ASN 55.A N GLU 51.A O no hydrogen 3.104 N/A ARG 56.A N GLU 52.A O no hydrogen 3.033 N/A ARG 56.A NH2 GLU 53.A OE1 no hydrogen 2.784 N/A ALA 57.A N GLU 53.A O no hydrogen 3.114 N/A ILE 58.A N LYS 54.A O no hydrogen 2.798 N/A ILE 59.A N ASN 55.A O no hydrogen 3.059 N/A GLN 60.A N ARG 56.A O no hydrogen 3.244 N/A GLN 60.A NE2 ALA 171.A O no hydrogen 3.544 N/A GLU 61.A N ALA 57.A O no hydrogen 3.129 N/A VAL 62.A N ILE 58.A O no hydrogen 2.886 N/A CYS 63.A N ILE 59.A O no hydrogen 2.871 N/A CYS 63.A SG ILE 59.A O no hydrogen 3.213 N/A PHE 64.A N GLN 60.A O no hydrogen 2.854 N/A MET 65.A N GLU 61.A O no hydrogen 2.979 N/A LYS 66.A N VAL 62.A O no hydrogen 2.905 N/A LYS 67.A N CYS 63.A O no hydrogen 3.223 N/A LYS 67.A NZ LYS 142.A O no hydrogen 2.997 N/A LEU 68.A N PHE 64.A O no hydrogen 2.784 N/A SER 69.A N MET 65.A O no hydrogen 2.889 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 2.751 N/A ASN 73.A ND2 ILE 163.A O no hydrogen 2.747 N/A ILE 74.A N HIS 71.A O no hydrogen 3.192 N/A VAL 75.A N LEU 165.A O no hydrogen 3.032 N/A GLN 76.A N GLU 100.A OE2 no hydrogen 2.822 N/A PHE 77.A N SER 69.A OG no hydrogen 2.820 N/A CYS 78.A N LEU 98.A O no hydrogen 2.882 N/A CYS 78.A SG GLN 76.A O no hydrogen 3.869 N/A SER 79.A N LEU 98.A O no hydrogen 3.177 N/A ALA 81.A N LEU 96.A O no hydrogen 2.858 N/A ILE 83.A N GLU 94.A O no hydrogen 2.761 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.848 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.735 N/A SER 88.A OG THR 90.A OG1 no hydrogen 3.130 N/A SER 88.A OG GLU 94.A OE1 no hydrogen 3.397 N/A THR 90.A OG1 SER 88.A OG no hydrogen 3.130 N/A ALA 93.A N ASN 50.A OD1 no hydrogen 3.109 N/A GLU 94.A N ILE 83.A O no hydrogen 2.769 N/A PHE 95.A N LEU 47.A O no hydrogen 2.836 N/A LEU 96.A N ALA 81.A O no hydrogen 2.802 N/A LEU 97.A N LYS 45.A O no hydrogen 2.785 N/A LEU 98.A N SER 79.A O no hydrogen 2.775 N/A THR 99.A N ALA 43.A O no hydrogen 2.910 N/A THR 99.A OG1 GLU 100.A O no hydrogen 2.993 N/A GLU 100.A N GLN 76.A O no hydrogen 2.946 N/A LYS 103.A N LEU 157.A O no hydrogen 2.780 N/A LEU 106.A N LEU 155.A O no hydrogen 2.790 N/A GLU 108.A N GLN 105.A O no hydrogen 3.146 N/A PHE 109.A N GLN 105.A O no hydrogen 3.327 N/A PHE 109.A N LEU 106.A O no hydrogen 2.903 N/A LEU 110.A N LEU 106.A O no hydrogen 2.883 N/A LYS 111.A N VAL 107.A O no hydrogen 3.069 N/A LYS 111.A NZ GLU 108.A OE2 no hydrogen 2.937 N/A LYS 112.A N PHE 109.A O no hydrogen 3.204 N/A MET 113.A N LEU 110.A O no hydrogen 2.935 N/A GLU 114.A N LEU 110.A O no hydrogen 3.197 N/A ARG 116.A N MET 113.A O no hydrogen 3.095 N/A GLY 117.A N GLU 114.A O no hydrogen 3.106 N/A SER 120.A OG THR 123.A OG1 no hydrogen 2.677 N/A CYS 121.A SG GLN 260.A O no hydrogen 3.856 N/A THR 123.A N SER 120.A OG no hydrogen 3.176 N/A THR 123.A OG1 SER 120.A OG no hydrogen 2.677 N/A THR 123.A OG1 GLU 306.A OE1 no hydrogen 2.620 N/A VAL 124.A N SER 120.A O no hydrogen 3.080 N/A LEU 125.A N CYS 121.A O no hydrogen 2.939 N/A LYS 126.A N ASP 122.A O no hydrogen 3.097 N/A LYS 126.A NZ PRO 303.A O no hydrogen 2.955 N/A ILE 127.A N THR 123.A O no hydrogen 2.910 N/A PHE 128.A N VAL 124.A O no hydrogen 2.794 N/A TYR 129.A N LEU 125.A O no hydrogen 2.775 N/A GLN 130.A N LYS 126.A O no hydrogen 3.049 N/A GLN 130.A NE2 PRO 300.A O no hydrogen 2.767 N/A GLN 130.A NE2 SER 302.A O no hydrogen 2.928 N/A THR 131.A N ILE 127.A O no hydrogen 3.123 N/A THR 131.A OG1 ILE 127.A O no hydrogen 2.757 N/A CYS 132.A N PHE 128.A O no hydrogen 2.985 N/A CYS 132.A SG PHE 128.A O no hydrogen 3.235 N/A ARG 133.A N TYR 129.A O no hydrogen 2.970 N/A ALA 134.A N GLN 130.A O no hydrogen 3.234 N/A ALA 134.A N THR 131.A O no hydrogen 3.105 N/A VAL 135.A N THR 131.A O no hydrogen 3.216 N/A GLN 136.A N CYS 132.A O no hydrogen 2.785 N/A HIS 137.A N ARG 133.A O no hydrogen 3.228 N/A MET 138.A N ALA 134.A O no hydrogen 3.253 N/A HIS 139.A N VAL 135.A O no hydrogen 2.958 N/A HIS 139.A NE2 ASP 221.A OD2 no hydrogen 2.665 N/A GLN 141.A N MET 138.A O no hydrogen 3.016 N/A GLN 141.A NE2 HIS 137.A O no hydrogen 2.846 N/A ILE 145.A N MET 138.A O no hydrogen 3.065 N/A ILE 146.A N THR 172.A O no hydrogen 2.895 N/A HIS 147.A N ASP 221.A OD2 no hydrogen 2.918 N/A HIS 147.A NE2 ASP 167.A O no hydrogen 2.755 N/A ARG 148.A N ASP 221.A OD1 no hydrogen 2.926 N/A ARG 148.A NE SER 170.A O no hydrogen 2.748 N/A ARG 148.A NH1 GLU 193.A OE1 no hydrogen 2.855 N/A ARG 148.A NH2 SER 170.A O no hydrogen 2.914 N/A ARG 148.A NH2 GLU 193.A OE2 no hydrogen 3.026 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 3.090 N/A LYS 151.A NZ THR 199.A OG1 no hydrogen 3.156 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 3.050 N/A ASN 154.A N LYS 151.A O no hydrogen 3.017 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.536 N/A ASN 154.A ND2 ASP 149.A OD2 no hydrogen 3.451 N/A LEU 155.A N VAL 152.A O no hydrogen 3.063 N/A LEU 156.A N LYS 164.A O no hydrogen 2.789 N/A LEU 157.A N GLY 104.A O no hydrogen 2.877 N/A SER 158.A N THR 162.A O no hydrogen 2.766 N/A SER 158.A OG THR 162.A O no hydrogen 3.345 N/A SER 158.A OG THR 162.A OG1 no hydrogen 2.739 N/A GLY 161.A N SER 158.A O no hydrogen 3.072 N/A GLY 161.A N SER 158.A OG no hydrogen 3.322 N/A THR 162.A N SER 158.A OG no hydrogen 3.058 N/A THR 162.A OG1 SER 158.A OG no hydrogen 2.739 N/A ILE 163.A N GLN 130.A OE1 no hydrogen 2.949 N/A LYS 164.A N LEU 156.A O no hydrogen 2.925 N/A LYS 164.A NZ PRO 72.A O no hydrogen 3.053 N/A LYS 164.A NZ ILE 74.A O no hydrogen 3.168 N/A LYS 164.A NZ GLU 100.A OE2 no hydrogen 2.743 N/A LEU 165.A N ASN 73.A O no hydrogen 2.897 N/A CYS 166.A SG ASN 154.A O no hydrogen 3.598 N/A PHE 168.A N GLU 61.A OE2 no hydrogen 3.193 N/A GLY 169.A N ASP 167.A OD2 no hydrogen 2.997 N/A SER 170.A OG ASN 197.A O no hydrogen 2.933 N/A ALA 171.A N PHE 168.A O no hydrogen 3.280 N/A THR 172.A N ILE 146.A O no hydrogen 2.956 N/A ILE 174.A N THR 172.A OG1 no hydrogen 3.196 N/A HIS 176.A N ILE 216.A O no hydrogen 2.796 N/A GLN 185.A N GLN 185.A OE1 no hydrogen 2.786 N/A ARG 186.A N SER 183.A OG no hydrogen 3.085 N/A ARG 187.A N SER 183.A O no hydrogen 3.048 N/A ARG 187.A NE LEU 210.A O no hydrogen 2.696 N/A ARG 187.A NH1 ASP 179.A O no hydrogen 3.493 N/A ARG 187.A NH2 ASP 179.A O no hydrogen 3.143 N/A ARG 187.A NH2 LEU 210.A O no hydrogen 3.328 N/A ALA 188.A N ALA 184.A O no hydrogen 2.872 N/A LEU 189.A N GLN 185.A O no hydrogen 2.988 N/A VAL 190.A N ARG 186.A O no hydrogen 2.905 N/A GLU 191.A N ARG 187.A O no hydrogen 2.826 N/A GLU 192.A N ALA 188.A O no hydrogen 2.738 N/A GLU 193.A N LEU 189.A O no hydrogen 3.204 N/A ILE 194.A N VAL 190.A O no hydrogen 3.146 N/A THR 195.A N GLU 191.A O no hydrogen 3.089 N/A THR 195.A OG1 GLU 191.A O no hydrogen 2.915 N/A ASN 197.A N ILE 194.A O no hydrogen 3.009 N/A ASN 197.A ND2 GLU 193.A O no hydrogen 2.682 N/A THR 198.A OG1 ILE 194.A O no hydrogen 2.931 N/A THR 198.A OG1 THR 195.A O no hydrogen 3.338 N/A THR 199.A OG1 ASP 149.A OD1 no hydrogen 2.972 N/A TYR 202.A N THR 199.A O no hydrogen 2.721 N/A ARG 203.A N PRO 200.A O no hydrogen 3.176 N/A ARG 203.A NE THR 198.A OG1 no hydrogen 2.958 N/A ARG 203.A NH2 THR 198.A O no hydrogen 3.225 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.722 N/A ILE 207.A N THR 204.A O no hydrogen 3.072 N/A ILE 208.A N THR 204.A O no hydrogen 3.209 N/A ASP 209.A N PRO 205.A O no hydrogen 2.990 N/A TYR 211.A N ASP 209.A OD1 no hydrogen 2.933 N/A SER 212.A OG ASP 209.A O no hydrogen 2.800 N/A ILE 216.A N HIS 176.A O no hydrogen 2.726 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.809 N/A LYS 219.A NZ PRO 276.A O no hydrogen 3.291 N/A LYS 219.A NZ ARG 279.A O no hydrogen 2.795 N/A GLN 220.A N GLY 217.A O no hydrogen 3.170 N/A GLN 220.A NE2 GLY 217.A O no hydrogen 2.788 N/A ASP 221.A N GLU 218.A O no hydrogen 2.908 N/A ILE 222.A N LYS 219.A O no hydrogen 3.201 N/A TRP 223.A N LYS 219.A O no hydrogen 3.414 N/A ALA 224.A N GLN 220.A O no hydrogen 3.334 N/A LEU 225.A N ASP 221.A O no hydrogen 2.964 N/A GLY 226.A N ILE 222.A O no hydrogen 2.815 N/A CYS 227.A N TRP 223.A O no hydrogen 3.089 N/A CYS 227.A SG TRP 223.A O no hydrogen 3.398 N/A ILE 228.A N ALA 224.A O no hydrogen 3.040 N/A LEU 229.A N LEU 225.A O no hydrogen 3.035 N/A TYR 230.A N GLY 226.A O no hydrogen 3.140 N/A TYR 230.A OH SER 253.A O no hydrogen 2.646 N/A LEU 231.A N CYS 227.A O no hydrogen 2.898 N/A LEU 232.A N ILE 228.A O no hydrogen 2.831 N/A CYS 233.A N LEU 229.A O no hydrogen 3.162 N/A CYS 233.A SG LEU 229.A O no hydrogen 3.233 N/A PHE 234.A N TYR 230.A O no hydrogen 2.819 N/A PHE 239.A N HIS 237.A ND1 no hydrogen 3.106 N/A GLY 242.A N PHE 239.A O no hydrogen 3.190 N/A ILE 247.A N ALA 243.A O no hydrogen 3.188 N/A VAL 248.A N LYS 244.A O no hydrogen 2.807 N/A ASN 249.A N LEU 245.A O no hydrogen 3.314 N/A ASN 249.A ND2 LEU 245.A O no hydrogen 2.852 N/A GLY 250.A N ILE 247.A O no hydrogen 3.270 N/A LYS 251.A N ARG 246.A O no hydrogen 2.833 N/A ASP 258.A N PRO 255.A O no hydrogen 3.228 N/A GLN 260.A N ASP 258.A OD2 no hydrogen 3.357 N/A TYR 261.A N ASP 258.A OD2 no hydrogen 2.896 N/A TYR 261.A OH LEU 119.A O no hydrogen 2.460 N/A PHE 264.A N TYR 261.A O no hydrogen 2.912 N/A HIS 265.A N THR 262.A O no hydrogen 3.071 N/A ILE 268.A N PHE 264.A O no hydrogen 3.078 N/A ARG 269.A N HIS 265.A O no hydrogen 3.116 N/A ALA 270.A N SER 266.A O no hydrogen 2.986 N/A MET 271.A N LEU 267.A O no hydrogen 2.868 N/A LEU 272.A N ILE 268.A O no hydrogen 2.958 N/A GLU 277.A N ASN 275.A OD1 no hydrogen 3.078 N/A GLU 278.A N ASN 275.A O no hydrogen 3.167 N/A ARG 279.A N PRO 276.A O no hydrogen 3.097 N/A ARG 279.A NE GLN 273.A O no hydrogen 2.680 N/A ARG 279.A NH1 GLU 206.A OE2 no hydrogen 3.013 N/A ARG 279.A NH1 LYS 219.A O no hydrogen 2.608 N/A ARG 279.A NH2 GLU 206.A OE1 no hydrogen 2.838 N/A ARG 279.A NH2 GLN 273.A O no hydrogen 3.196 N/A ARG 279.A NH2 VAL 274.A O no hydrogen 3.111 N/A SER 281.A N GLU 284.A OE1 no hydrogen 2.816 N/A GLU 284.A N SER 281.A OG no hydrogen 3.247 N/A VAL 285.A N SER 281.A O no hydrogen 3.057 N/A VAL 286.A N ILE 282.A O no hydrogen 2.842 N/A HIS 287.A N ALA 283.A O no hydrogen 2.944 N/A GLN 288.A N GLU 284.A O no hydrogen 2.939 N/A LEU 289.A N VAL 285.A O no hydrogen 2.959 N/A GLN 290.A N VAL 286.A O no hydrogen 2.884 N/A GLN 290.A NE2 TYR 129.A OH no hydrogen 3.363 N/A GLU 291.A N HIS 287.A O no hydrogen 3.163 N/A ILE 292.A N GLN 288.A O no hydrogen 3.216 N/A ALA 293.A N LEU 289.A O no hydrogen 3.019 N/A ALA 294.A N GLN 290.A O no hydrogen 2.954 N/A ALA 295.A N GLU 291.A O no hydrogen 2.886 N/A ARG 296.A NE.A ASP 122.A OD2 no hydrogen 3.240 N/A ARG 296.A NE.B ILE 292.A O no hydrogen 3.231 N/A ARG 296.A NH2.A ASP 122.A OD2 no hydrogen 3.188 N/A ASN 297.A N ALA 294.A O no hydrogen 3.234 N/A VAL 298.A N ALA 293.A O no hydrogen 2.978 N/A LYS 301.A N ASN 299.A OD1 no hydrogen 3.375 N/A SER 302.A N ASN 299.A O no hydrogen 3.137 N/A SER 302.A OG ASN 299.A O no hydrogen 2.574 N/A ILE 304.A N GLY 161.A O no hydrogen 2.821 N/A THR 305.A OG1 GLU 306.A OE2 no hydrogen 3.173 N/A LEU 307.A N ILE 304.A O no hydrogen 3.034 N/A GLU 309.A N THR 305.A O no hydrogen 3.400 N/A