Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3csq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASN 17.A OD1 no hydrogen 2.912 N/A SER 5.A N ASN 49.A OD1 no hydrogen 3.151 N/A ASN 6.A ND2 LEU 56.A O no hydrogen 2.912 N/A LYS 7.A NZ.B TYR 8.A O no hydrogen 2.896 N/A LYS 7.A NZ.B GLU 13.A OE1 no hydrogen 3.170 N/A LEU 9.A N THR 47.A OG1 no hydrogen 3.028 N/A THR 10.A N GLU 13.A OE1 no hydrogen 2.983 N/A GLU 13.A N THR 10.A OG1 no hydrogen 3.206 N/A MET 14.A N THR 10.A O no hydrogen 2.917 N/A LYS 15.A N MET 11.A O no hydrogen 2.896 N/A VAL 16.A N SER 12.A O no hydrogen 3.403 N/A ASN 17.A N GLU 13.A O no hydrogen 3.145 N/A ASN 17.A ND2 TYR 3.A O no hydrogen 2.777 N/A ASN 17.A ND2 ILE 48.A O no hydrogen 2.804 N/A ALA 18.A N MET 14.A O no hydrogen 2.680 N/A GLN 19.A N LYS 15.A O no hydrogen 2.952 N/A TYR 20.A N VAL 16.A O no hydrogen 3.082 N/A TYR 20.A OH ASP 91.A OD1 no hydrogen 2.509 N/A TYR 20.A OH ASP 91.A OD2 no hydrogen 3.232 N/A ILE 21.A N ASN 17.A O no hydrogen 2.981 N/A LEU 22.A N ALA 18.A O no hydrogen 2.971 N/A ASN 23.A N GLN 19.A O no hydrogen 2.930 N/A ASN 23.A ND2 GLN 19.A OE1 no hydrogen 3.259 N/A TYR 24.A N TYR 20.A O no hydrogen 2.894 N/A LEU 25.A N ILE 21.A O no hydrogen 2.943 N/A SER 26.A N LEU 22.A O no hydrogen 2.853 N/A SER 26.A OG LEU 22.A O no hydrogen 2.858 N/A SER 27.A N ASN 23.A O no hydrogen 3.322 N/A SER 27.A OG ASN 23.A O no hydrogen 2.764 N/A ASN 28.A N LEU 25.A O no hydrogen 2.938 N/A GLY 29.A N SER 26.A O no hydrogen 3.132 N/A TRP 30.A N LEU 25.A O no hydrogen 3.086 N/A THR 31.A N ILE 119.A O no hydrogen 2.848 N/A THR 31.A OG1 SER 121.A O no hydrogen 2.475 N/A LYS 32.A NZ TYR 155.A O no hydrogen 3.118 N/A LYS 32.A NZ LEU 158.A O no hydrogen 2.749 N/A LYS 32.A NZ SER 159.A O no hydrogen 3.380 N/A GLN 33.A N GLN 33.A OE1 no hydrogen 2.788 N/A ALA 34.A N THR 31.A OG1 no hydrogen 3.189 N/A ILE 35.A N THR 31.A O no hydrogen 3.201 N/A CYS 36.A N LYS 32.A O no hydrogen 2.987 N/A CYS 36.A SG LYS 32.A O no hydrogen 3.235 N/A GLY 37.A N GLN 33.A O no hydrogen 2.806 N/A MET 38.A N ALA 34.A O no hydrogen 2.943 N/A LEU 39.A N ILE 35.A O no hydrogen 2.791 N/A GLY 40.A N CYS 36.A O no hydrogen 2.948 N/A ASN 41.A ND2 GLY 37.A O no hydrogen 2.891 N/A ASN 41.A ND2 ALA 129.A O no hydrogen 2.920 N/A MET 42.A N MET 38.A O no hydrogen 2.744 N/A GLN 43.A N LEU 39.A O no hydrogen 2.733 N/A SER 44.A N GLY 40.A O no hydrogen 3.383 N/A SER 44.A OG GLN 150.A OE1 no hydrogen 3.084 N/A GLU 45.A N ASN 41.A O no hydrogen 2.896 N/A SER 46.A N MET 42.A O no hydrogen 2.913 N/A SER 46.A OG MET 42.A O no hydrogen 3.052 N/A SER 46.A OG LEU 67.A O no hydrogen 2.719 N/A THR 47.A N GLN 43.A O no hydrogen 3.105 N/A THR 47.A OG1 SER 46.A O no hydrogen 2.539 N/A ILE 48.A N MET 42.A O no hydrogen 3.130 N/A ASN 49.A N SER 46.A OG no hydrogen 3.242 N/A ASN 49.A ND2 SER 5.A OG no hydrogen 3.080 N/A ASN 49.A ND2 LYS 7.A O no hydrogen 2.697 N/A GLY 51.A N ASN 49.A OD1 no hydrogen 2.890 N/A LEU 52.A N ASN 49.A O no hydrogen 3.259 N/A TRP 53.A N ASN 6.A OD1 no hydrogen 3.028 N/A GLN 54.A N GLY 64.A O no hydrogen 2.847 N/A LEU 56.A N TRP 53.A O no hydrogen 2.863 N/A ASP 57.A N GLN 54.A O no hydrogen 2.907 N/A GLU 58.A N LEU 56.A O no hydrogen 2.825 N/A ASN 60.A N ASP 57.A O no hydrogen 3.231 N/A ASN 60.A ND2 ASP 57.A OD2 no hydrogen 3.424 N/A SER 62.A N ASN 60.A OD1 no hydrogen 3.270 N/A SER 62.A OG ASN 60.A OD1 no hydrogen 2.621 N/A LEU 63.A N ASN 60.A O no hydrogen 3.347 N/A PHE 65.A N TRP 70.A O no hydrogen 3.092 N/A GLY 66.A N LEU 52.A O no hydrogen 2.757 N/A LEU 67.A N GLU 93.A OE1 no hydrogen 2.916 N/A GLN 69.A N GLY 66.A O no hydrogen 3.048 N/A GLN 69.A NE2 LEU 52.A O no hydrogen 2.910 N/A GLN 69.A NE2 GLY 66.A O no hydrogen 2.963 N/A TRP 70.A N PHE 65.A O no hydrogen 2.964 N/A TRP 70.A NE1 GLU 100.A OE2 no hydrogen 2.846 N/A THR 71.A OG1 GLN 69.A O no hydrogen 2.995 N/A ALA 73.A N LEU 63.A O no hydrogen 3.019 N/A SER 74.A N THR 61.A O no hydrogen 3.312 N/A SER 74.A OG THR 61.A O no hydrogen 3.547 N/A ASN 75.A N PRO 72.A O no hydrogen 3.106 N/A TYR 76.A OH TYR 87.A O no hydrogen 2.518 N/A ILE 77.A N ALA 73.A O no hydrogen 2.903 N/A ASN 78.A N SER 74.A O no hydrogen 2.842 N/A TRP 79.A N ASN 75.A O no hydrogen 3.198 N/A ALA 80.A N TYR 76.A O no hydrogen 2.794 N/A ASN 81.A N ILE 77.A O no hydrogen 3.016 N/A SER 82.A N ASN 78.A O no hydrogen 3.003 N/A SER 82.A OG TRP 79.A O no hydrogen 2.796 N/A GLN 83.A N TRP 79.A O no hydrogen 2.926 N/A GLN 83.A N ALA 80.A O no hydrogen 2.978 N/A GLY 84.A N ASN 81.A O no hydrogen 3.125 N/A LEU 85.A N ALA 80.A O no hydrogen 3.070 N/A SER 92.A N ASN 89.A OD1 no hydrogen 2.878 N/A SER 92.A OG PRO 86.A O no hydrogen 2.623 N/A GLU 93.A N ASN 89.A O no hydrogen 3.077 N/A LEU 94.A N MET 90.A O no hydrogen 2.985 N/A LYS 95.A N ASP 91.A O no hydrogen 2.870 N/A ARG 96.A N SER 92.A O no hydrogen 2.965 N/A ARG 96.A NE GLU 100.A OE2 no hydrogen 2.766 N/A ARG 96.A NH2 GLU 100.A OE2 no hydrogen 3.400 N/A ILE 97.A N GLU 93.A O no hydrogen 3.151 N/A ILE 98.A N LEU 94.A O no hydrogen 3.046 N/A TRP 99.A N LYS 95.A O no hydrogen 2.945 N/A GLU 100.A N ARG 96.A O no hydrogen 2.996 N/A VAL 101.A N ILE 97.A O no hydrogen 2.978 N/A ASN 102.A N ILE 98.A O no hydrogen 2.866 N/A ASN 103.A N GLU 100.A O no hydrogen 3.394 N/A ALA 105.A N GLU 100.A O no hydrogen 2.949 N/A GLN 106.A NE2 TYR 136.A O no hydrogen 2.905 N/A TRP 107.A N ALA 105.A O no hydrogen 2.748 N/A TRP 107.A NE1 MET 113.A O no hydrogen 2.833 N/A ILE 108.A N SER 135.A O no hydrogen 2.997 N/A ARG 111.A NH1 LEU 110.A O no hydrogen 2.747 N/A MET 113.A N ASN 109.A OD1 no hydrogen 2.756 N/A THR 114.A N GLU 117.A OE1 no hydrogen 2.980 N/A GLU 117.A N THR 114.A OG1 no hydrogen 3.115 N/A TYR 118.A N THR 114.A O no hydrogen 2.873 N/A TYR 118.A OH ALA 34.A O no hydrogen 2.773 N/A ILE 119.A N PHE 115.A O no hydrogen 3.229 N/A SER 121.A N TYR 118.A O no hydrogen 2.959 N/A LYS 123.A N SER 121.A OG no hydrogen 3.169 N/A LYS 123.A NZ GLU 127.A OE1 no hydrogen 3.261 N/A THR 124.A N GLU 127.A OE2 no hydrogen 3.134 N/A ARG 126.A N GLU 152.A OE2 no hydrogen 2.784 N/A ARG 126.A NH1 ASP 149.A OD1 no hydrogen 2.604 N/A ARG 126.A NH2 ASP 149.A OD1 no hydrogen 3.260 N/A GLU 127.A N THR 124.A OG1 no hydrogen 2.939 N/A LEU 128.A N THR 124.A O no hydrogen 3.076 N/A ALA 129.A N PRO 125.A O no hydrogen 2.966 N/A MET 130.A N ARG 126.A O no hydrogen 3.197 N/A ILE 131.A N GLU 127.A O no hydrogen 3.000 N/A PHE 132.A N LEU 128.A O no hydrogen 2.854 N/A LEU 133.A N ALA 129.A O no hydrogen 2.880 N/A ALA 134.A N MET 130.A O no hydrogen 3.133 N/A SER 135.A N ILE 131.A O no hydrogen 2.999 N/A SER 135.A N PHE 132.A O no hydrogen 3.264 N/A SER 135.A OG ILE 131.A O no hydrogen 2.882 N/A TYR 136.A N PHE 132.A O no hydrogen 2.755 N/A TYR 136.A OH GLU 100.A OE1 no hydrogen 2.485 N/A TYR 136.A OH GLU 100.A OE2 no hydrogen 3.328 N/A GLU 137.A N PHE 132.A O no hydrogen 3.416 N/A ARG 138.A N LEU 133.A O no hydrogen 2.832 N/A ARG 138.A NH1 GLN 106.A O no hydrogen 2.788 N/A ARG 138.A NH1 SER 135.A O no hydrogen 2.948 N/A ARG 138.A NH2 GLN 106.A O no hydrogen 3.549 N/A ASN 143.A N ASN 141.A OD1 no hydrogen 3.169 N/A GLN 144.A NE2 ASN 141.A O no hydrogen 2.715 N/A GLU 146.A N GLU 146.A OE2 no hydrogen 2.739 N/A ARG 147.A N GLN 144.A O no hydrogen 3.008 N/A ARG 147.A NE GLN 144.A OE1 no hydrogen 2.801 N/A ARG 147.A NH1 ASN 41.A OD1 no hydrogen 2.852 N/A ARG 147.A NH1 GLU 45.A OE2 no hydrogen 2.957 N/A ARG 147.A NH2 GLU 45.A OE2 no hydrogen 2.951 N/A ARG 147.A NH2 GLN 144.A OE1 no hydrogen 2.947 N/A GLY 148.A N PRO 145.A O no hydrogen 2.934 N/A ASP 149.A N PRO 145.A O no hydrogen 3.172 N/A GLN 150.A N GLU 146.A O no hydrogen 2.885 N/A ALA 151.A N ARG 147.A O no hydrogen 3.035 N/A GLU 152.A N GLY 148.A O no hydrogen 2.969 N/A TYR 153.A N ASP 149.A O no hydrogen 2.916 N/A TRP 154.A N GLN 150.A O no hydrogen 2.949 N/A TYR 155.A N ALA 151.A O no hydrogen 2.985 N/A LYS 156.A N GLU 152.A O no hydrogen 3.324 N/A ASN 157.A N TYR 153.A O no hydrogen 3.034 N/A ASN 157.A ND2 TYR 153.A O no hydrogen 3.021 N/A LEU 158.A N TRP 154.A O no hydrogen 3.098 N/A SER 159.A OG GLN 19.A OE1 no hydrogen 3.026 N/A GLN 161.A NE2 ASP 204.A OD1 no hydrogen 3.054 N/A LEU 162.A N ASP 323.A OD1 no hydrogen 2.752 N/A ALA 163.A N MET 226.A O no hydrogen 2.853 N/A GLN 164.A N PRO 202.A O no hydrogen 3.063 N/A PHE 165.A N ALA 302.A O no hydrogen 2.887 N/A ILE 170.A N GLU 307.A O no hydrogen 2.945 N/A ILE 172.A N ASN 310.A O no hydrogen 2.557 N/A SER 173.A N ASP 189.A O no hydrogen 3.017 N/A SER 173.A OG ASP 189.A O no hydrogen 3.447 N/A GLN 174.A NE2 SER 181.A OG no hydrogen 3.004 N/A GLN 174.A NE2 ASP 189.A OD2 no hydrogen 3.073 N/A GLU 176.A N TYR 314.A OH no hydrogen 2.864 N/A ASN 177.A N THR 185.A O no hydrogen 3.030 N/A GLY 178.A N GLY 175.A O no hydrogen 3.033 N/A SER 181.A N GLN 174.A OE1 no hydrogen 2.912 N/A HIS 182.A N GLY 178.A O no hydrogen 3.058 N/A HIS 182.A ND1 GLY 175.A O no hydrogen 2.892 N/A LYS 183.A N ASP 287.A OD1 no hydrogen 3.011 N/A GLY 184.A N ASN 177.A OD1 no hydrogen 2.800 N/A THR 185.A N HIS 182.A O no hydrogen 2.985 N/A THR 185.A OG1 HIS 182.A O no hydrogen 2.752 N/A LEU 186.A N GLU 294.A OE2 no hydrogen 2.889 N/A CYS 187.A N THR 185.A OG1 no hydrogen 3.278 N/A CYS 187.A SG THR 185.A OG1 no hydrogen 3.445 N/A CYS 187.A SG HIS 270.A NE2 no hydrogen 3.370 N/A CYS 187.A SG SER 288.A O no hydrogen 3.965 N/A ILE 188.A N PHE 271.A O no hydrogen 3.145 N/A ASP 189.A N GLN 174.A O no hydrogen 2.923 N/A PHE 190.A N TRP 269.A O no hydrogen 2.869 N/A VAL 191.A N ASN 171.A O no hydrogen 2.874 N/A LYS 193.A NZ TYR 197.A OH no hydrogen 3.375 N/A THR 194.A OG1 GLU 195.A O no hydrogen 2.985 N/A LYS 196.A N ASP 267.A OD1 no hydrogen 3.214 N/A LYS 196.A N ASP 267.A OD2 no hydrogen 2.940 N/A LYS 196.A NZ SER 243.A O no hydrogen 2.682 N/A TYR 197.A N THR 262.A OG1 no hydrogen 2.841 N/A TYR 197.A OH ASP 168.A OD2 no hydrogen 3.296 N/A TYR 199.A N GLY 260.A O no hydrogen 2.762 N/A TYR 200.A N PRO 166.A O no hydrogen 2.878 N/A ALA 201.A N ASP 257.A O no hydrogen 2.769 N/A CYS 203.A SG ASP 204.A O no hydrogen 3.777 N/A ASP 204.A N GLN 161.A OE1 no hydrogen 2.814 N/A CYS 205.A N LEU 253.A O no hydrogen 2.982 N/A CYS 205.A SG CYS 203.A O no hydrogen 3.435 N/A THR 206.A N THR 220.A O no hydrogen 3.024 N/A CYS 207.A N LYS 251.A O no hydrogen 2.785 N/A CYS 207.A SG TRP 209.A O no hydrogen 3.638 N/A CYS 207.A SG ALA 218.A O no hydrogen 3.582 N/A VAL 208.A N ALA 218.A O no hydrogen 2.748 N/A TRP 209.A N ALA 218.A O no hydrogen 3.464 N/A GLY 211.A N TYR 216.A O no hydrogen 2.842 N/A ALA 215.A N ASP 212.A O no hydrogen 3.403 N/A TYR 216.A N GLY 211.A O no hydrogen 2.968 N/A TYR 216.A OH TYR 279.A OH no hydrogen 3.016 N/A LEU 217.A N ASN 239.A O no hydrogen 3.024 N/A ALA 218.A N TRP 209.A O no hydrogen 2.853 N/A TRP 219.A N TRP 237.A O no hydrogen 2.907 N/A THR 220.A N THR 206.A O no hydrogen 3.037 N/A SER 221.A N ILE 235.A O no hydrogen 2.867 N/A SER 221.A OG LYS 223.A O no hydrogen 2.675 N/A SER 221.A OG ILE 235.A O no hydrogen 3.483 N/A ASP 222.A N ASP 204.A O no hydrogen 2.956 N/A VAL 225.A N ARG 233.A O no hydrogen 2.710 N/A MET 226.A N GLN 161.A O no hydrogen 2.806 N/A CYS 227.A N SER 231.A O no hydrogen 2.744 N/A ALA 228.A N VAL 300.A O no hydrogen 2.844 N/A ASP 229.A N ASP 299.A O no hydrogen 2.926 N/A GLY 230.A N CYS 227.A O no hydrogen 2.892 N/A SER 231.A N ASP 229.A OD1 no hydrogen 2.828 N/A SER 231.A OG ASP 229.A OD1 no hydrogen 2.612 N/A SER 231.A OG ASP 229.A OD2 no hydrogen 3.155 N/A ARG 233.A N VAL 225.A O no hydrogen 3.156 N/A ILE 235.A N SER 221.A OG no hydrogen 3.103 N/A THR 236.A N ILE 274.A O no hydrogen 3.241 N/A THR 236.A OG1 ILE 274.A O no hydrogen 3.339 N/A THR 236.A OG1 GLY 276.A O no hydrogen 3.244 N/A TRP 237.A N TRP 219.A O no hydrogen 2.873 N/A VAL 238.A N ASN 272.A O no hydrogen 2.926 N/A ASN 239.A N LEU 217.A O no hydrogen 3.021 N/A VAL 240.A N HIS 270.A O no hydrogen 2.994 N/A HIS 241.A N ALA 215.A O no hydrogen 2.881 N/A HIS 241.A ND1 GLY 265.A O no hydrogen 3.082 N/A GLY 250.A N CYS 207.A O no hydrogen 2.670 N/A LYS 251.A N ASP 248.A O no hydrogen 2.941 N/A LYS 252.A NZ ASP 222.A OD2 no hydrogen 3.239 N/A LEU 253.A N CYS 205.A O no hydrogen 2.968 N/A LYS 254.A N ASP 257.A OD2 no hydrogen 2.597 N/A LYS 255.A N ASP 204.A OD1 no hydrogen 2.901 N/A LYS 255.A NZ LEU 162.A O no hydrogen 2.732 N/A LYS 255.A NZ ASP 323.A OD1 no hydrogen 3.296 N/A LYS 255.A NZ ASP 323.A OD2 no hydrogen 2.635 N/A GLY 256.A N ALA 201.A O no hydrogen 2.976 N/A ASP 257.A N LYS 254.A O no hydrogen 2.948 N/A MET 259.A N TYR 199.A O no hydrogen 2.910 N/A GLY 260.A N TYR 199.A O no hydrogen 3.232 N/A THR 262.A N TYR 197.A O no hydrogen 2.879 N/A THR 262.A OG1 ASP 267.A OD1 no hydrogen 2.356 N/A GLY 263.A N HIS 268.A O no hydrogen 2.849 N/A GLY 265.A N HIS 241.A O no hydrogen 2.586 N/A HIS 268.A N GLY 263.A O no hydrogen 2.879 N/A HIS 268.A ND1 GLY 266.A O no hydrogen 2.799 N/A TRP 269.A N PHE 190.A O no hydrogen 2.826 N/A TRP 269.A NE1 ASN 239.A OD1 no hydrogen 3.125 N/A HIS 270.A N VAL 240.A O no hydrogen 3.267 N/A HIS 270.A ND1 ASP 189.A OD1 no hydrogen 3.128 N/A PHE 271.A N ILE 188.A O no hydrogen 2.999 N/A ILE 274.A N THR 236.A O no hydrogen 2.861 N/A ASP 275.A N THR 293.A O no hydrogen 2.788 N/A GLY 276.A N TYR 234.A O no hydrogen 2.964 N/A THR 283.A N CYS 289.A O no hydrogen 2.826 N/A LYS 285.A N ASP 287.A O no hydrogen 2.924 N/A ASP 287.A N LYS 183.A O no hydrogen 3.287 N/A CYS 289.A N THR 283.A O no hydrogen 2.890 N/A CYS 289.A SG LEU 290.A O no hydrogen 3.659 N/A CYS 289.A SG GLU 294.A OE1 no hydrogen 3.426 N/A ALA 291.A N GLY 281.A O no hydrogen 2.840 N/A LEU 295.A N VAL 273.A O no hydrogen 3.009 N/A TYR 298.A OH GLU 176.A OE1 no hydrogen 3.163 N/A ASP 299.A N HIS 296.A O no hydrogen 3.020 N/A VAL 300.A N HIS 296.A O no hydrogen 3.095 N/A VAL 300.A N ILE 297.A O no hydrogen 3.212 N/A PHE 301.A N ILE 297.A O no hydrogen 2.913 N/A ALA 302.A N ALA 163.A O no hydrogen 2.892 N/A VAL 303.A N LYS 317.A O no hydrogen 2.902 N/A ASN 304.A ND2 SER 319.A O no hydrogen 2.816 N/A VAL 306.A N VAL 303.A O no hydrogen 3.000 N/A GLU 307.A N ASP 168.A O no hydrogen 3.111 N/A ILE 309.A N ILE 170.A O no hydrogen 2.830 N/A ASN 310.A N ILE 170.A O no hydrogen 3.039 N/A TYR 314.A N GLY 311.A O no hydrogen 3.436 N/A TRP 316.A NE1 GLY 311.A O no hydrogen 3.048 N/A LYS 317.A NZ TYR 298.A O no hydrogen 3.176 N/A LYS 317.A NZ ASP 299.A OD1 no hydrogen 2.792 N/A LYS 317.A NZ ASP 315.A O no hydrogen 2.767 N/A LYS 317.A NZ ASP 315.A OD2 no hydrogen 2.478 N/A SER 319.A N ASN 304.A OD1 no hydrogen 2.815 N/A TRP 321.A N SER 319.A OG no hydrogen 3.007 N/A TRP 321.A NE1 LEU 160.A O no hydrogen 3.000 N/A GLN 322.A NE2 ASP 320.A O no hydrogen 2.980 N/A GLY 324.A N LEU 160.A O no hydrogen 3.125 N/A