Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3exi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 8.A N PRO 5.A O no hydrogen 2.981 N/A PHE 11.A N HIS 9.A ND1 no hydrogen 3.073 N/A ALA 12.A N ASN 270.A O no hydrogen 2.915 N/A ALA 15.A N LEU 37.A O no hydrogen 2.967 N/A PHE 17.A N THR 35.A O no hydrogen 2.694 N/A ILE 19.A N VAL 33.A O no hydrogen 2.940 N/A HIS 25.A N GLY 219.A O no hydrogen 2.809 N/A HIS 25.A NE2 ASP 215.A O no hydrogen 2.773 N/A ARG 26.A NE ASP 215.A O no hydrogen 2.918 N/A THR 35.A N PHE 17.A O no hydrogen 2.812 N/A LEU 37.A N ALA 15.A O no hydrogen 2.996 N/A ARG 39.A N ASN 13.A O no hydrogen 2.842 N/A ARG 39.A NH1 LEU 271.A O no hydrogen 2.804 N/A ARG 39.A NH1 GLU 276.A OE1 no hydrogen 2.791 N/A ARG 39.A NH1 GLU 276.A OE2 no hydrogen 3.043 N/A ARG 39.A NH2 GLU 276.A OE2 no hydrogen 2.547 N/A ASP 41.A N THR 38.A OG1 no hydrogen 3.106 N/A GLY 42.A N THR 38.A O no hydrogen 2.873 N/A LEU 43.A N ARG 39.A O no hydrogen 3.028 N/A LYS 44.A N GLU 40.A O no hydrogen 2.967 N/A TYR 45.A N ASP 41.A O no hydrogen 2.870 N/A TYR 46.A N GLY 42.A O no hydrogen 2.853 N/A TYR 46.A OH ASP 281.A OD1 no hydrogen 2.570 N/A ARG 47.A N LEU 43.A O no hydrogen 2.960 N/A ARG 47.A NH1 GLU 283.A OE1 no hydrogen 3.038 N/A MET 48.A N LYS 44.A O no hydrogen 2.939 N/A MET 49.A N TYR 45.A O no hydrogen 2.912 N/A GLN 50.A N TYR 46.A O no hydrogen 3.097 N/A THR 51.A N ARG 47.A O no hydrogen 2.841 N/A THR 51.A OG1 ARG 47.A O no hydrogen 2.815 N/A VAL 52.A N MET 48.A O no hydrogen 3.115 N/A ARG 53.A N MET 49.A O no hydrogen 2.818 N/A ARG 53.A NE GLU 79.A OE2 no hydrogen 2.492 N/A ARG 53.A NH1 ASP 257.A OD1 no hydrogen 2.930 N/A ARG 53.A NH2 GLU 79.A OE1 no hydrogen 2.734 N/A ARG 53.A NH2 ASP 257.A OD1 no hydrogen 3.491 N/A ARG 53.A NH2 ASP 257.A OD2 no hydrogen 3.307 N/A ARG 54.A N GLN 50.A O no hydrogen 3.001 N/A MET 55.A N THR 51.A O no hydrogen 2.750 N/A GLU 56.A N VAL 52.A O no hydrogen 2.908 N/A LEU 57.A N ARG 53.A O no hydrogen 3.021 N/A LYS 58.A N ARG 54.A O no hydrogen 2.934 N/A LYS 58.A NZ GLN 61.A OE1 no hydrogen 3.291 N/A ALA 59.A N MET 55.A O no hydrogen 2.821 N/A ASP 60.A N GLU 56.A O no hydrogen 2.993 N/A GLN 61.A N LEU 57.A O no hydrogen 3.123 N/A LEU 62.A N LYS 58.A O no hydrogen 3.023 N/A TYR 63.A N ALA 59.A O no hydrogen 2.874 N/A TYR 63.A OH GLY 70.A O no hydrogen 2.558 N/A LYS 64.A N ASP 60.A O no hydrogen 2.911 N/A GLN 65.A N GLN 61.A O no hydrogen 3.051 N/A LYS 66.A N TYR 63.A O no hydrogen 2.804 N/A ILE 67.A N LEU 62.A O no hydrogen 2.934 N/A ILE 68.A N LEU 62.A O no hydrogen 3.501 N/A CYS 75.A N GLU 56.A OE2 no hydrogen 2.738 N/A CYS 75.A SG GLU 56.A OE2 no hydrogen 3.312 N/A GLY 77.A N GLU 79.A OE1 no hydrogen 3.088 N/A GLY 77.A N GLU 79.A OE2 no hydrogen 3.036 N/A GLN 78.A N CYS 75.A O no hydrogen 2.860 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.810 N/A CYS 81.A N GLN 78.A O no hydrogen 3.067 N/A CYS 81.A SG GLY 224.A O no hydrogen 3.497 N/A CYS 82.A SG GLU 79.A O no hydrogen 3.970 N/A VAL 83.A N GLU 79.A O no hydrogen 3.105 N/A GLY 84.A N ALA 80.A O no hydrogen 2.727 N/A LEU 85.A N CYS 81.A O no hydrogen 2.710 N/A GLU 86.A N CYS 82.A O no hydrogen 2.990 N/A ALA 87.A N VAL 83.A O no hydrogen 2.871 N/A GLY 88.A N GLY 84.A O no hydrogen 3.166 N/A GLY 88.A N LEU 85.A O no hydrogen 3.044 N/A ILE 89.A N GLU 86.A O no hydrogen 3.238 N/A ASN 90.A N ASP 93.A OD2 no hydrogen 3.015 N/A ASP 93.A N ASN 90.A O no hydrogen 3.060 N/A HIS 94.A N VAL 170.A O no hydrogen 2.981 N/A HIS 94.A ND1 TYR 142.A OH no hydrogen 2.737 N/A HIS 94.A NE2 GLU 169.A OE1 no hydrogen 2.671 N/A LEU 95.A N ASN 140.A O no hydrogen 2.958 N/A ILE 96.A N LEU 172.A O no hydrogen 3.042 N/A THR 97.A N GLY 143.A O no hydrogen 2.940 N/A ALA 98.A N THR 97.A OG1 no hydrogen 2.737 N/A ARG 100.A NH1 LEU 74.A O no hydrogen 3.130 N/A HIS 102.A ND1 GLU 56.A OE1 no hydrogen 2.601 N/A HIS 102.A NE2 SER 133.A OG no hydrogen 2.648 N/A THR 105.A N ALA 101.A O no hydrogen 2.934 N/A THR 105.A OG1 ALA 101.A O no hydrogen 2.519 N/A THR 105.A OG1 HIS 102.A O no hydrogen 3.096 N/A PHE 106.A N HIS 102.A O no hydrogen 3.110 N/A THR 107.A N GLY 103.A O no hydrogen 2.834 N/A THR 107.A OG1 GLY 103.A O no hydrogen 3.438 N/A THR 107.A OG1 PHE 104.A O no hydrogen 3.489 N/A ARG 108.A N PHE 104.A O no hydrogen 2.981 N/A ARG 108.A NE GLU 86.A OE1 no hydrogen 3.057 N/A ARG 108.A NE GLU 86.A OE2 no hydrogen 3.481 N/A ARG 108.A NH1 ASP 93.A O no hydrogen 2.809 N/A ARG 108.A NH1 ASN 140.A O no hydrogen 3.007 N/A ARG 108.A NH2 GLU 86.A OE2 no hydrogen 2.902 N/A ARG 108.A NH2 ASN 90.A O no hydrogen 3.058 N/A GLY 109.A N PHE 106.A O no hydrogen 2.899 N/A LEU 110.A N THR 105.A O no hydrogen 2.987 N/A SER 111.A N GLU 114.A OE2 no hydrogen 3.031 N/A ARG 113.A NE ASP 290.A OD2 no hydrogen 2.971 N/A ARG 113.A NH2 ASP 290.A OD1 no hydrogen 2.907 N/A GLU 114.A N SER 111.A OG no hydrogen 3.226 N/A ILE 115.A N SER 111.A O no hydrogen 3.194 N/A LEU 116.A N VAL 112.A O no hydrogen 2.808 N/A ALA 117.A N ARG 113.A O no hydrogen 2.924 N/A GLU 118.A N GLU 114.A O no hydrogen 3.288 N/A GLU 118.A N ILE 115.A O no hydrogen 3.295 N/A LEU 119.A N ILE 115.A O no hydrogen 3.151 N/A THR 120.A N LEU 116.A O no hydrogen 2.871 N/A THR 120.A OG1 LEU 116.A O no hydrogen 3.376 N/A THR 120.A OG1 ALA 117.A O no hydrogen 3.353 N/A THR 120.A OG1 ALA 295.A O no hydrogen 2.832 N/A GLY 121.A N GLU 118.A O no hydrogen 2.925 N/A ARG 122.A N ALA 117.A O no hydrogen 2.854 N/A ARG 122.A NE THR 120.A O no hydrogen 2.872 N/A ARG 122.A NH1 THR 296.A O no hydrogen 3.073 N/A ARG 122.A NH1 ASP 298.A O no hydrogen 2.561 N/A LYS 123.A N PRO 299.A O no hydrogen 2.927 N/A GLY 124.A N ASP 298.A OD2 no hydrogen 2.692 N/A GLY 125.A N ARG 122.A O no hydrogen 3.071 N/A CYS 126.A N GLU 114.A O no hydrogen 2.945 N/A CYS 126.A SG GLU 114.A O no hydrogen 3.827 N/A ALA 127.A N GLU 118.A OE1 no hydrogen 2.740 N/A LYS 128.A N GLY 125.A O no hydrogen 3.000 N/A GLY 129.A N GLU 118.A OE1 no hydrogen 2.728 N/A LYS 130.A N ALA 127.A O no hydrogen 2.924 N/A LYS 130.A NZ GLU 305.A O no hydrogen 3.065 N/A LYS 130.A NZ LEU 306.A O no hydrogen 3.335 N/A GLY 131.A N GLU 118.A OE2 no hydrogen 2.888 N/A GLY 132.A N GLU 118.A OE2 no hydrogen 2.927 N/A SER 133.A OG HIS 102.A NE2 no hydrogen 2.648 N/A ALA 138.A N PHE 141.A O no hydrogen 3.217 N/A PHE 141.A N ALA 138.A O no hydrogen 3.193 N/A TYR 142.A N LEU 95.A O no hydrogen 2.930 N/A TYR 142.A OH HIS 94.A ND1 no hydrogen 2.737 N/A GLY 144.A N ALA 98.A O no hydrogen 2.811 N/A ASN 145.A N ALA 98.A O no hydrogen 3.163 N/A ASN 145.A ND2 THR 97.A O no hydrogen 2.944 N/A ASN 145.A ND2 TYR 142.A O no hydrogen 3.138 N/A GLY 149.A N GLN 151.A OE1 no hydrogen 3.146 N/A ALA 150.A N ILE 147.A O no hydrogen 2.925 N/A GLN 151.A N GLN 151.A OE1 no hydrogen 2.761 N/A GLN 151.A NE2 LEU 174.A O no hydrogen 2.890 N/A VAL 152.A N GLY 149.A O no hydrogen 3.114 N/A GLY 155.A N GLN 151.A O no hydrogen 2.793 N/A ALA 156.A N VAL 152.A O no hydrogen 3.010 N/A GLY 157.A N PRO 153.A O no hydrogen 2.924 N/A ILE 158.A N LEU 154.A O no hydrogen 2.787 N/A ALA 159.A N GLY 155.A O no hydrogen 2.879 N/A LEU 160.A N ALA 156.A O no hydrogen 2.842 N/A ALA 161.A N GLY 157.A O no hydrogen 3.080 N/A CYS 162.A N ILE 158.A O no hydrogen 2.974 N/A CYS 162.A SG ILE 158.A O no hydrogen 3.423 N/A LYS 163.A N ALA 159.A O no hydrogen 2.984 N/A LYS 163.A NZ TRP 195.A O no hydrogen 3.031 N/A TYR 164.A N LEU 160.A O no hydrogen 2.710 N/A ASN 165.A N ALA 161.A O no hydrogen 2.675 N/A GLY 166.A N CYS 162.A O no hydrogen 3.211 N/A VAL 170.A N ASP 93.A OD1 no hydrogen 3.040 N/A CYS 171.A N PRO 198.A O no hydrogen 3.117 N/A CYS 171.A SG HIS 94.A O no hydrogen 3.961 N/A CYS 171.A SG GLY 155.A O no hydrogen 3.549 N/A CYS 171.A SG THR 173.A OG1 no hydrogen 3.629 N/A LEU 172.A N HIS 94.A O no hydrogen 2.953 N/A THR 173.A N ILE 200.A O no hydrogen 2.843 N/A LEU 174.A N ILE 96.A O no hydrogen 2.956 N/A TYR 175.A N ILE 202.A O no hydrogen 2.889 N/A ASP 177.A N GLU 204.A O no hydrogen 3.290 N/A ALA 179.A N GLY 176.A O no hydrogen 2.796 N/A ALA 180.A N ASP 177.A O no hydrogen 3.077 N/A GLN 182.A N ALA 179.A O no hydrogen 2.998 N/A GLN 184.A NE2 GLN 182.A OE1 no hydrogen 3.146 N/A ILE 185.A N GLN 182.A O no hydrogen 3.263 N/A GLU 187.A N GLY 183.A O no hydrogen 3.064 N/A ALA 188.A N GLN 184.A O no hydrogen 3.022 N/A TYR 189.A N ILE 185.A O no hydrogen 2.816 N/A TYR 189.A OH TYR 175.A OH no hydrogen 2.779 N/A ASN 190.A N PHE 186.A O no hydrogen 3.078 N/A MET 191.A N GLU 187.A O no hydrogen 3.177 N/A ALA 192.A N ALA 188.A O no hydrogen 2.780 N/A ALA 193.A N TYR 189.A O no hydrogen 2.952 N/A LEU 194.A N ASN 190.A O no hydrogen 2.938 N/A TRP 195.A N MET 191.A O no hydrogen 2.945 N/A LYS 196.A N ALA 193.A O no hydrogen 3.235 N/A LEU 197.A N ALA 192.A O no hydrogen 2.950 N/A CYS 199.A N LEU 197.A O no hydrogen 2.756 N/A CYS 199.A SG THR 173.A OG1 no hydrogen 3.196 N/A ILE 200.A N CYS 171.A O no hydrogen 2.855 N/A PHE 201.A N ILE 248.A O no hydrogen 2.740 N/A ILE 202.A N THR 173.A O no hydrogen 2.739 N/A CYS 203.A N MET 250.A O no hydrogen 2.722 N/A GLU 204.A N TYR 175.A O no hydrogen 2.715 N/A ASN 205.A N LEU 252.A O no hydrogen 2.917 N/A ASN 205.A ND2 GLU 251.A OE2 no hydrogen 2.779 N/A ASN 206.A N ASP 177.A OD2 no hydrogen 3.090 N/A ARG 207.A N ASN 205.A O no hydrogen 3.119 N/A TYR 211.A N GLU 251.A OE1 no hydrogen 3.240 N/A LYS 212.A N ASP 209.A O no hydrogen 2.928 N/A ARG 213.A N TYR 210.A O no hydrogen 3.146 N/A ASP 215.A N LYS 212.A O no hydrogen 2.993 N/A ILE 217.A N GLY 214.A O no hydrogen 2.877 N/A GLY 219.A N HIS 25.A O no hydrogen 2.898 N/A LEU 220.A N LEU 249.A O no hydrogen 2.951 N/A ARG 221.A N ASP 23.A O no hydrogen 2.971 N/A ARG 221.A NE ASP 23.A OD2 no hydrogen 2.955 N/A ARG 221.A NH1 ASP 209.A OD1 no hydrogen 3.491 N/A ARG 221.A NH2 ASP 23.A OD2 no hydrogen 2.759 N/A VAL 222.A N GLU 251.A O no hydrogen 2.908 N/A GLY 224.A N GLN 253.A O no hydrogen 2.713 N/A MET 225.A N ASP 223.A OD1 no hydrogen 3.330 N/A ASP 226.A N ASP 223.A O no hydrogen 3.324 N/A CYS 229.A N.A ASP 226.A OD1 no hydrogen 2.824 N/A CYS 229.A N.B ASP 226.A OD1 no hydrogen 2.827 N/A CYS 229.A SG.A LYS 20.A O no hydrogen 3.827 N/A CYS 229.A SG.B LYS 20.A O no hydrogen 3.880 N/A VAL 230.A N ASP 226.A O no hydrogen 2.868 N/A ARG 231.A N ILE 227.A O no hydrogen 2.795 N/A ARG 231.A NH1 TYR 45.A OH no hydrogen 3.057 N/A ARG 231.A NH2 THR 35.A OG1 no hydrogen 2.992 N/A ARG 231.A NH2 VAL 36.A O no hydrogen 2.780 N/A GLU 232.A N LEU 228.A O no hydrogen 2.942 N/A ALA 233.A N CYS 229.A O.A no hydrogen 2.985 N/A ALA 233.A N CYS 229.A O.B no hydrogen 2.988 N/A THR 234.A N VAL 230.A O no hydrogen 2.980 N/A THR 234.A OG1 VAL 230.A O no hydrogen 2.658 N/A ARG 235.A N ARG 231.A O no hydrogen 3.006 N/A ARG 235.A NH1 GLU 232.A OE2 no hydrogen 3.138 N/A PHE 236.A N GLU 232.A O no hydrogen 2.983 N/A ALA 237.A N ALA 233.A O no hydrogen 2.808 N/A ALA 238.A N THR 234.A O no hydrogen 2.652 N/A ALA 239.A N ARG 235.A O no hydrogen 3.026 N/A TYR 240.A N PHE 236.A O no hydrogen 2.816 N/A CYS 241.A N ALA 237.A O no hydrogen 3.068 N/A CYS 241.A SG ALA 237.A O no hydrogen 3.654 N/A CYS 241.A SG GLY 246.A O no hydrogen 3.457 N/A ARG 242.A N ALA 238.A O no hydrogen 2.953 N/A ARG 242.A NH1 ASP 93.A OD1 no hydrogen 2.988 N/A ARG 242.A NH1 ASP 93.A OD2 no hydrogen 3.443 N/A ARG 242.A NH1 ASP 168.A O no hydrogen 2.901 N/A ARG 242.A NH2 ASP 93.A OD2 no hydrogen 2.679 N/A SER 243.A N ALA 239.A O no hydrogen 3.066 N/A SER 243.A N TYR 240.A O no hydrogen 3.323 N/A SER 243.A OG TYR 240.A O no hydrogen 2.666 N/A GLY 244.A N CYS 241.A O no hydrogen 3.163 N/A LYS 245.A NZ SER 243.A OG no hydrogen 3.285 N/A ILE 248.A N CYS 199.A O no hydrogen 3.117 N/A LEU 249.A N PRO 218.A O no hydrogen 2.873 N/A MET 250.A N PHE 201.A O no hydrogen 2.782 N/A GLU 251.A N LEU 220.A O no hydrogen 2.853 N/A LEU 252.A N CYS 203.A O no hydrogen 2.806 N/A GLN 253.A N VAL 222.A O no hydrogen 2.969 N/A THR 254.A N ASN 205.A O no hydrogen 3.049 N/A ILE 259.A N ASP 257.A OD2 no hydrogen 2.806 N/A LEU 261.A N ASP 257.A O no hydrogen 3.071 N/A LEU 262.A N PRO 258.A O no hydrogen 3.345 N/A LYS 263.A N ILE 259.A O no hydrogen 2.854 N/A ASP 264.A N MET 260.A O no hydrogen 2.984 N/A ARG 265.A N LEU 261.A O no hydrogen 3.070 N/A ARG 265.A NH1 ASP 226.A OD1 no hydrogen 2.898 N/A ARG 265.A NH1 ASP 226.A OD2 no hydrogen 3.030 N/A ARG 265.A NH2 ASP 226.A OD2 no hydrogen 2.870 N/A MET 266.A N LEU 262.A O no hydrogen 2.873 N/A VAL 267.A N LYS 263.A O no hydrogen 2.904 N/A ASN 268.A N ASP 264.A O no hydrogen 2.890 N/A SER 269.A N ARG 265.A O no hydrogen 3.234 N/A SER 269.A OG ARG 265.A O no hydrogen 3.047 N/A ASN 270.A N VAL 267.A O no hydrogen 2.994 N/A LEU 271.A N MET 266.A O no hydrogen 2.750 N/A ALA 272.A N MET 266.A O no hydrogen 3.343 N/A SER 273.A N GLU 276.A OE1 no hydrogen 2.901 N/A GLU 276.A N SER 273.A OG no hydrogen 2.950 N/A LEU 277.A N SER 273.A O no hydrogen 3.170 N/A LYS 278.A N VAL 274.A O no hydrogen 2.924 N/A GLU 279.A N GLU 275.A O no hydrogen 3.031 N/A ILE 280.A N GLU 276.A O no hydrogen 3.060 N/A ASP 281.A N LEU 277.A O no hydrogen 2.987 N/A VAL 282.A N LYS 278.A O no hydrogen 2.953 N/A GLU 283.A N GLU 279.A O no hydrogen 2.958 N/A VAL 284.A N ILE 280.A O no hydrogen 2.780 N/A ARG 285.A N ASP 281.A O no hydrogen 2.833 N/A LYS 286.A N VAL 282.A O no hydrogen 3.112 N/A GLU 287.A N GLU 283.A O no hydrogen 3.111 N/A ILE 288.A N VAL 284.A O no hydrogen 2.949 N/A GLU 289.A N ARG 285.A O no hydrogen 2.929 N/A ASP 290.A N LYS 286.A O no hydrogen 2.926 N/A ALA 291.A N GLU 287.A O no hydrogen 3.080 N/A ALA 292.A N ILE 288.A O no hydrogen 2.790 N/A GLN 293.A N GLU 289.A O no hydrogen 2.970 N/A PHE 294.A N ASP 290.A O no hydrogen 3.010 N/A ALA 295.A N ALA 291.A O no hydrogen 2.855 N/A THR 296.A N ALA 292.A O no hydrogen 3.046 N/A THR 296.A OG1 ALA 292.A O no hydrogen 3.252 N/A THR 296.A OG1 GLN 293.A O no hydrogen 3.326 N/A ALA 297.A N GLN 293.A O no hydrogen 2.872 N/A ALA 297.A N PHE 294.A O no hydrogen 3.217 N/A ASP 298.A N PHE 294.A O no hydrogen 2.828 N/A GLU 304.A N GLU 304.A OE2 no hydrogen 2.903 N/A GLU 305.A N PRO 302.A O no hydrogen 2.964 N/A LEU 306.A N LEU 303.A O no hydrogen 3.078 N/A TYR 308.A N GLU 305.A O no hydrogen 3.222 N/A HIS 309.A N VAL 331.A O no hydrogen 2.817 N/A HIS 309.A ND1 SER 332.A O no hydrogen 2.678 N/A SER 312.A OG SER 313.A OG no hydrogen 2.942 N/A SER 313.A OG SER 312.A OG no hydrogen 2.942 N/A ASP 314.A N SER 332.A OG no hydrogen 3.041 N/A PHE 317.A N SER 330.A O no hydrogen 2.945 N/A VAL 319.A N PHE 328.A O no hydrogen 2.712 N/A GLY 321.A N ILE 326.A O no hydrogen 2.788 N/A TRP 325.A N ASN 323.A OD1 no hydrogen 3.014 N/A ILE 326.A N ASN 323.A O no hydrogen 3.194 N/A PHE 328.A N VAL 319.A O no hydrogen 2.777 N/A SER 330.A N PHE 317.A O no hydrogen 2.768 N/A SER 330.A OG GLY 307.A O no hydrogen 2.596 N/A SER 332.A OG TYR 311.A O no hydrogen 2.694 N/A SER 332.A OG ASP 314.A O no hydrogen 3.351 N/A