Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 68.A OD1 no hydrogen 2.748 N/A GLY 1.A N ASN 69.A O.B no hydrogen 3.159 N/A ILE 3.A N ASP 68.A OD2 no hydrogen 3.231 N/A ALA 4.A N ASP 68.A OD2 no hydrogen 2.751 N/A ARG 5.A N GLY 1.A O no hydrogen 3.135 N/A THR 6.A N ILE 3.A O no hydrogen 3.069 N/A THR 6.A OG1 ILE 3.A O no hydrogen 2.744 N/A ILE 7.A N ALA 4.A O no hydrogen 3.244 N/A VAL 8.A N LYS 25.A O no hydrogen 3.072 N/A GLN 10.A N ARG 23.A O no hydrogen 2.756 N/A GLN 10.A NE2 GLU 30.A OE1 no hydrogen 2.791 N/A GLU 11.A N ARG 23.A O no hydrogen 3.303 N/A SER 12.A OG GLU 20.A OE2 no hydrogen 2.571 N/A ILE 13.A N VAL 21.A O no hydrogen 2.780 N/A GLY 14.A N VAL 21.A O no hydrogen 3.212 N/A GLY 16.A N GLY 19.A O no hydrogen 3.212 N/A GLU 20.A N ILE 35.A O no hydrogen 2.966 N/A VAL 21.A N GLY 14.A O no hydrogen 2.722 N/A TRP 22.A N VAL 33.A O no hydrogen 2.806 N/A ARG 23.A N GLU 11.A O no hydrogen 2.827 N/A ARG 23.A NE GLU 11.A OE1 no hydrogen 3.423 N/A ARG 23.A NH2 GLU 11.A OE1 no hydrogen 3.204 N/A GLY 24.A N VAL 31.A O no hydrogen 2.860 N/A LYS 25.A N VAL 8.A O no hydrogen 2.906 N/A TRP 26.A N GLU 29.A O no hydrogen 2.760 N/A GLU 29.A N TRP 26.A O no hydrogen 2.854 N/A VAL 31.A N GLY 24.A O no hydrogen 2.902 N/A ALA 32.A N SER 82.A O.A no hydrogen 2.831 N/A ALA 32.A N SER 82.A O.B no hydrogen 2.796 N/A VAL 33.A N TRP 22.A O no hydrogen 2.797 N/A LYS 34.A N LEU 80.A O no hydrogen 2.800 N/A LYS 34.A NZ GLU 47.A OE1 no hydrogen 3.164 N/A LYS 34.A NZ GLU 47.A OE2 no hydrogen 2.782 N/A LYS 34.A NZ ASP 153.A OD2 no hydrogen 3.091 N/A ILE 35.A N GLU 20.A O no hydrogen 2.840 N/A PHE 36.A N LEU 78.A O no hydrogen 2.808 N/A SER 37.A N GLU 40.A OE1 no hydrogen 3.045 N/A SER 37.A OG GLU 40.A OE1 no hydrogen 3.463 N/A GLU 40.A N SER 37.A O no hydrogen 2.883 N/A TRP 44.A N GLU 40.A O no hydrogen 3.042 N/A TRP 44.A NE1 TRP 79.A O no hydrogen 3.004 N/A PHE 45.A N GLU 41.A O no hydrogen 2.790 N/A ARG 46.A N ARG 42.A O no hydrogen 2.971 N/A ARG 46.A NH1 GLU 49.A OE1 no hydrogen 2.968 N/A ARG 46.A NH1 ASP 168.A OD2 no hydrogen 2.879 N/A ARG 46.A NH2 ALA 157.A O no hydrogen 2.984 N/A ARG 46.A NH2 ASP 168.A OD1 no hydrogen 3.017 N/A ARG 46.A NH2 ASP 168.A OD2 no hydrogen 3.186 N/A GLU 47.A N SER 43.A O no hydrogen 3.087 N/A ALA 48.A N TRP 44.A O no hydrogen 2.928 N/A GLU 49.A N PHE 45.A O no hydrogen 2.867 N/A ILE 50.A N ARG 46.A O no hydrogen 2.971 N/A TYR 51.A N GLU 47.A O no hydrogen 2.950 N/A GLN 52.A N ALA 48.A O no hydrogen 3.049 N/A GLN 52.A N GLU 49.A O no hydrogen 3.265 N/A THR 53.A N ILE 50.A O no hydrogen 3.106 N/A THR 53.A OG1 ILE 50.A O no hydrogen 2.707 N/A LEU 56.A N THR 53.A O no hydrogen 3.145 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 2.872 N/A ASN 60.A ND2 CYS 149.A O no hydrogen 2.943 N/A ILE 61.A N.A HIS 58.A O no hydrogen 3.090 N/A ILE 61.A N.B HIS 58.A O no hydrogen 3.075 N/A LEU 62.A N ILE 151.A O no hydrogen 2.891 N/A ILE 65.A N VAL 81.A O no hydrogen 2.832 N/A ALA 66.A N VAL 81.A O no hydrogen 3.181 N/A ASP 68.A N TRP 79.A O no hydrogen 2.964 N/A ASN 69.A N.A ASP 68.A OD1 no hydrogen 2.714 N/A ASN 69.A N.B ASP 68.A OD1 no hydrogen 2.733 N/A LYS 70.A N GLN 77.A O no hydrogen 2.889 N/A LYS 70.A NZ ALA 4.A O no hydrogen 2.793 N/A ASN 72.A N TRP 75.A O no hydrogen 3.272 N/A GLY 73.A N ASP 71.A OD1 no hydrogen 2.863 N/A THR 74.A N ASN 72.A OD1 no hydrogen 2.804 N/A TRP 75.A N ASN 72.A OD1 no hydrogen 2.870 N/A GLN 77.A N LYS 70.A O no hydrogen 2.877 N/A LEU 78.A N PHE 36.A O no hydrogen 2.888 N/A TRP 79.A N ASP 68.A O no hydrogen 2.818 N/A TRP 79.A NE1 GLN 77.A OE1 no hydrogen 2.897 N/A LEU 80.A N LYS 34.A O no hydrogen 2.865 N/A VAL 81.A N ALA 66.A O no hydrogen 2.762 N/A SER 82.A N.A ALA 32.A O no hydrogen 2.822 N/A SER 82.A N.B ALA 32.A O no hydrogen 2.812 N/A SER 82.A OG.A ASP 83.A O no hydrogen 3.236 N/A ASP 83.A N GLY 63.A O no hydrogen 2.987 N/A GLY 88.A N HIS 85.A O no hydrogen 3.045 N/A LEU 90.A N ILE 141.A O no hydrogen 2.778 N/A PHE 91.A N SER 138.A O no hydrogen 3.116 N/A ASP 92.A N SER 89.A OG no hydrogen 3.010 N/A TYR 93.A N SER 89.A O no hydrogen 2.849 N/A LEU 94.A N LEU 90.A O no hydrogen 2.780 N/A ASN 95.A N PHE 91.A O no hydrogen 3.116 N/A ASN 95.A N ASP 92.A O no hydrogen 3.201 N/A ASN 95.A ND2 PHE 91.A O no hydrogen 2.782 N/A ARG 96.A N ASP 92.A O no hydrogen 3.008 N/A ARG 96.A NH1 HIS 87.A O no hydrogen 2.717 N/A TYR 97.A N TYR 93.A O no hydrogen 2.893 N/A VAL 99.A N ARG 216.A O no hydrogen 2.820 N/A GLY 103.A N THR 100.A OG1 no hydrogen 2.816 N/A MET 104.A N THR 100.A O no hydrogen 2.845 N/A ILE 105.A N VAL 101.A O no hydrogen 2.997 N/A LYS 106.A N GLU 102.A O no hydrogen 3.008 N/A LYS 106.A NZ ASN 146.A O no hydrogen 2.791 N/A LEU 107.A N GLY 103.A O no hydrogen 3.024 N/A ALA 108.A N MET 104.A O no hydrogen 2.982 N/A LEU 109.A N ILE 105.A O no hydrogen 2.750 N/A SER 110.A N LYS 106.A O no hydrogen 3.107 N/A SER 110.A OG LYS 106.A O no hydrogen 2.822 N/A SER 110.A OG LEU 107.A O no hydrogen 3.099 N/A THR 111.A N LEU 107.A O no hydrogen 3.192 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.813 N/A ALA 112.A N ALA 108.A O no hydrogen 2.948 N/A SER 113.A N LEU 109.A O no hydrogen 2.860 N/A SER 113.A OG.A LEU 109.A O no hydrogen 2.807 N/A SER 113.A OG.B ASN 60.A OD1 no hydrogen 3.457 N/A GLY 114.A N SER 110.A O no hydrogen 2.988 N/A LEU 115.A N THR 111.A O no hydrogen 2.985 N/A ALA 116.A N ALA 112.A O no hydrogen 2.859 N/A HIS 117.A N SER 113.A O no hydrogen 3.020 N/A HIS 117.A NE2 MET 55.A O.A no hydrogen 3.072 N/A HIS 117.A NE2 MET 55.A O.B no hydrogen 3.073 N/A LEU 118.A N GLY 114.A O no hydrogen 2.955 N/A HIS 119.A N LEU 115.A O no hydrogen 2.897 N/A HIS 119.A NE2 ASP 202.A OD2 no hydrogen 2.883 N/A MET 120.A N HIS 117.A O no hydrogen 3.181 N/A ILE 122.A N LYS 128.A O no hydrogen 2.845 N/A GLY 127.A N GLY 124.A O no hydrogen 3.034 N/A LYS 128.A N ILE 122.A O no hydrogen 2.848 N/A LYS 128.A NZ HIS 117.A O no hydrogen 3.033 N/A LYS 128.A NZ LEU 118.A O no hydrogen 2.814 N/A LYS 128.A NZ MET 120.A O no hydrogen 2.814 N/A LYS 128.A NZ PRO 129.A O no hydrogen 2.904 N/A ILE 131.A N LEU 118.A O no hydrogen 2.813 N/A ALA 132.A N VAL 158.A O no hydrogen 2.918 N/A HIS 133.A N ASP 202.A OD2 no hydrogen 2.815 N/A HIS 133.A NE2 ALA 152.A O no hydrogen 2.877 N/A ARG 134.A N ASP 202.A OD1 no hydrogen 3.019 N/A ARG 134.A NE LEU 156.A O no hydrogen 2.752 N/A ARG 134.A NH2 LEU 156.A O no hydrogen 2.964 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 3.007 N/A LYS 137.A NZ THR 177.A OG1 no hydrogen 2.829 N/A SER 138.A OG TYR 180.A OH no hydrogen 3.325 N/A SER 138.A OG GLU 212.A OE1 no hydrogen 2.619 N/A SER 138.A OG GLU 212.A OE2 no hydrogen 3.481 N/A ASN 140.A N LYS 137.A O no hydrogen 2.946 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.693 N/A ASN 140.A ND2 ASP 135.A OD2 no hydrogen 3.204 N/A LEU 142.A N CYS 150.A O no hydrogen 2.832 N/A VAL 143.A N GLY 88.A O no hydrogen 2.916 N/A LYS 144.A N THR 148.A O no hydrogen 2.801 N/A LYS 144.A NZ GLU 59.A O no hydrogen 2.795 N/A GLY 147.A N LYS 144.A O no hydrogen 2.979 N/A THR 148.A N ASN 146.A OD1 no hydrogen 3.184 N/A THR 148.A OG1 ASN 146.A OD1 no hydrogen 2.612 N/A CYS 149.A N SER 110.A OG no hydrogen 2.766 N/A CYS 149.A SG LEU 107.A O no hydrogen 3.684 N/A CYS 149.A SG THR 111.A OG1 no hydrogen 3.659 N/A CYS 150.A N LEU 142.A O no hydrogen 2.905 N/A ILE 151.A N ASN 60.A O no hydrogen 2.960 N/A ALA 152.A N ASN 140.A O no hydrogen 2.879 N/A ALA 157.A N LEU 154.A O no hydrogen 3.022 N/A VAL 158.A N ALA 132.A O no hydrogen 2.980 N/A ARG 159.A N ASP 168.A OD1 no hydrogen 3.042 N/A ARG 159.A NE ASP 168.A OD2 no hydrogen 2.877 N/A ARG 159.A NH1 THR 53.A OG1 no hydrogen 2.944 N/A ARG 159.A NH2 ASP 168.A OD2 no hydrogen 3.491 N/A HIS 160.A N ALA 130.A O no hydrogen 2.972 N/A HIS 160.A NE2 ASP 165.A OD1 no hydrogen 2.809 N/A ASP 161.A N THR 166.A O no hydrogen 2.797 N/A SER 162.A OG GLU 121.A OE2 no hydrogen 2.682 N/A THR 164.A OG1 ASP 161.A OD2 no hydrogen 2.707 N/A THR 164.A OG1 THR 166.A OG1 no hydrogen 2.981 N/A THR 166.A N ASP 161.A O no hydrogen 3.208 N/A THR 166.A OG1 ASP 161.A OD2 no hydrogen 3.532 N/A THR 166.A OG1 THR 164.A OG1 no hydrogen 2.981 N/A ASP 168.A N ARG 159.A O no hydrogen 2.877 N/A ALA 170.A N ILE 167.A O no hydrogen 3.126 N/A ARG 174.A NH1 VAL 185.A O no hydrogen 3.000 N/A THR 177.A N ASP 135.A OD1 no hydrogen 3.006 N/A THR 177.A OG1 ASP 135.A OD1 no hydrogen 2.734 N/A ARG 179.A NH1 PRO 229.A O no hydrogen 2.857 N/A TYR 180.A N THR 177.A O no hydrogen 3.106 N/A TYR 180.A OH GLU 212.A OE1 no hydrogen 3.358 N/A TYR 180.A OH GLU 212.A OE2 no hydrogen 2.587 N/A MET 181.A N LYS 178.A O no hydrogen 3.173 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.744 N/A VAL 185.A N ALA 182.A O no hydrogen 2.875 N/A LEU 186.A N ALA 182.A O no hydrogen 2.961 N/A ASP 187.A N PRO 183.A O no hydrogen 3.007 N/A ASP 188.A N VAL 185.A O no hydrogen 3.261 N/A SER 189.A N ASP 187.A OD1 no hydrogen 3.127 N/A SER 189.A OG ASP 187.A OD1 no hydrogen 2.624 N/A SER 189.A OG ASP 187.A OD2 no hydrogen 3.490 N/A ILE 190.A N GLU 184.A O no hydrogen 3.039 N/A LYS 193.A N ASN 191.A OD1 no hydrogen 3.084 N/A HIS 194.A N ASN 191.A O no hydrogen 2.975 N/A HIS 194.A ND1 SER 197.A OG no hydrogen 2.743 N/A SER 197.A N HIS 194.A O no hydrogen 2.821 N/A SER 197.A OG HIS 194.A ND1 no hydrogen 2.743 N/A PHE 198.A N PHE 195.A O no hydrogen 2.822 N/A LYS 199.A N PHE 195.A O no hydrogen 3.328 N/A LYS 199.A NZ GLU 196.A OE1 no hydrogen 2.781 N/A LYS 199.A NZ GLU 196.A OE2 no hydrogen 3.398 N/A ARG 200.A N GLU 196.A O no hydrogen 2.994 N/A ALA 201.A N SER 197.A O no hydrogen 3.156 N/A ASP 202.A N PHE 198.A O no hydrogen 3.165 N/A ILE 203.A N LYS 199.A O no hydrogen 3.196 N/A TYR 204.A N ARG 200.A O no hydrogen 3.264 N/A TYR 204.A OH TYR 230.A OH no hydrogen 2.689 N/A ALA 205.A N ALA 201.A O no hydrogen 3.251 N/A MET 206.A N ASP 202.A O no hydrogen 2.862 N/A GLY 207.A N ILE 203.A O no hydrogen 2.946 N/A LEU 208.A N TYR 204.A O no hydrogen 3.300 N/A VAL 209.A N ALA 205.A O no hydrogen 3.095 N/A PHE 210.A N MET 206.A O no hydrogen 2.819 N/A TRP 211.A N GLY 207.A O no hydrogen 3.148 N/A TRP 211.A NE1 ASN 255.A O no hydrogen 2.729 N/A GLU 212.A N LEU 208.A O no hydrogen 3.102 N/A ILE 213.A N VAL 209.A O no hydrogen 3.057 N/A ALA 214.A N PHE 210.A O no hydrogen 2.873 N/A ARG 215.A N TRP 211.A O no hydrogen 3.144 N/A ARG 215.A NE ASP 225.A O no hydrogen 3.199 N/A ARG 215.A NH2 ASP 225.A O no hydrogen 2.890 N/A ARG 216.A N ILE 213.A O no hydrogen 2.928 N/A ARG 216.A NE LEU 94.A O no hydrogen 2.713 N/A ARG 216.A NE TYR 97.A O no hydrogen 3.320 N/A ARG 216.A NH1 GLU 224.A O no hydrogen 3.029 N/A ARG 216.A NH2 LEU 94.A O no hydrogen 3.367 N/A ARG 216.A NH2 TYR 97.A O no hydrogen 3.161 N/A CYS 217.A N ALA 214.A O no hydrogen 3.084 N/A SER 218.A N VAL 99.A O no hydrogen 2.857 N/A SER 218.A OG HIS 223.A ND1 no hydrogen 2.808 N/A ILE 219.A N ILE 222.A O no hydrogen 3.100 N/A ILE 222.A N ILE 219.A O no hydrogen 2.945 N/A HIS 223.A ND1 SER 218.A OG no hydrogen 2.808 N/A GLU 224.A N ARG 215.A O no hydrogen 2.848 N/A TYR 226.A OH GLU 212.A OE1 no hydrogen 2.621 N/A TYR 230.A OH TYR 204.A OH no hydrogen 2.689 N/A TYR 231.A N LEU 228.A O no hydrogen 3.215 N/A LEU 233.A N TYR 230.A O no hydrogen 2.990 N/A VAL 234.A N TYR 230.A O no hydrogen 3.035 N/A SER 239.A N GLU 242.A OE1 no hydrogen 3.007 N/A GLU 242.A N SER 239.A OG no hydrogen 3.041 N/A MET 243.A N SER 239.A O no hydrogen 3.071 N/A ARG 244.A N VAL 240.A O no hydrogen 2.786 N/A LYS 245.A N GLU 241.A O no hydrogen 3.026 N/A LYS 245.A NZ GLU 241.A OE2 no hydrogen 2.869 N/A VAL 246.A N MET 243.A O no hydrogen 3.171 N/A VAL 247.A N MET 243.A O no hydrogen 2.875 N/A CYS 248.A N ARG 244.A O no hydrogen 2.856 N/A CYS 248.A SG PRO 183.A O no hydrogen 3.336 N/A GLU 249.A N ARG 244.A O no hydrogen 3.149 N/A GLN 250.A N LYS 245.A O no hydrogen 2.943 N/A LYS 251.A NZ CYS 248.A O no hydrogen 2.988 N/A LEU 252.A N VAL 246.A O no hydrogen 3.007 N/A ARG 253.A NE TRP 277.A O no hydrogen 2.858 N/A ARG 253.A NH1 VAL 247.A O no hydrogen 2.957 N/A ARG 253.A NH1 LEU 252.A O no hydrogen 2.901 N/A ARG 253.A NH2 TRP 277.A O no hydrogen 3.177 N/A ARG 259.A NE GLU 224.A OE2 no hydrogen 2.937 N/A ARG 259.A NH1 GLU 224.A OE1 no hydrogen 2.939 N/A ARG 259.A NH1 GLU 224.A OE2 no hydrogen 2.794 N/A TRP 260.A N PRO 257.A O no hydrogen 3.060 N/A GLN 261.A N.A ASN 258.A O no hydrogen 2.943 N/A GLN 261.A N.B ASN 258.A O no hydrogen 2.943 N/A SER 262.A N ARG 259.A O no hydrogen 3.443 N/A SER 262.A OG ARG 259.A O no hydrogen 2.886 N/A ARG 267.A N CYS 263.A O no hydrogen 2.887 N/A ARG 267.A NE GLU 264.A OE1 no hydrogen 3.315 N/A ARG 267.A NH2 GLU 264.A OE2 no hydrogen 2.790 N/A VAL 268.A N GLU 264.A O no hydrogen 2.989 N/A MET 269.A N ALA 265.A O no hydrogen 2.990 N/A ALA 270.A N LEU 266.A O no hydrogen 2.813 N/A LYS 271.A N ARG 267.A O no hydrogen 2.967 N/A LYS 271.A NZ GLU 275.A OE2 no hydrogen 2.810 N/A ILE 272.A N VAL 268.A O no hydrogen 3.015 N/A MET 273.A N MET 269.A O no hydrogen 2.963 N/A ARG 274.A N ALA 270.A O no hydrogen 3.073 N/A GLU 275.A N LYS 271.A O no hydrogen 3.087 N/A CYS 276.A N MET 273.A O no hydrogen 3.023 N/A CYS 276.A SG ILE 203.A O no hydrogen 3.709 N/A CYS 276.A SG ILE 272.A O no hydrogen 3.298 N/A TRP 277.A N ARG 274.A O no hydrogen 3.182 N/A ALA 282.A N ASN 280.A OD1 no hydrogen 3.101 N/A ALA 283.A N ASN 280.A O no hydrogen 2.998 N/A ARG 284.A N GLY 281.A O no hydrogen 3.102 N/A ARG 284.A NE TYR 278.A O no hydrogen 2.985 N/A ARG 284.A NH1 GLU 184.A OE2 no hydrogen 2.780 N/A ARG 284.A NH1 ARG 200.A O no hydrogen 2.956 N/A ARG 284.A NH2 GLU 184.A OE1 no hydrogen 2.819 N/A ARG 284.A NH2 TYR 278.A O no hydrogen 2.921 N/A LEU 285.A N GLU 275.A O no hydrogen 3.167 N/A ARG 289.A N THR 286.A OG1 no hydrogen 3.171 N/A ILE 290.A N THR 286.A O no hydrogen 3.037 N/A LYS 291.A N ALA 287.A O no hydrogen 2.862 N/A LYS 292.A N LEU 288.A O no hydrogen 2.902 N/A THR 293.A N ARG 289.A O no hydrogen 2.959 N/A THR 293.A OG1 ARG 289.A O no hydrogen 3.144 N/A LEU 294.A N ILE 290.A O no hydrogen 2.929 N/A SER 295.A N LYS 291.A O no hydrogen 2.881 N/A SER 295.A OG LYS 291.A O no hydrogen 2.899 N/A GLN 296.A N LYS 292.A O no hydrogen 3.098 N/A LEU 297.A N THR 293.A O no hydrogen 3.123 N/A SER 298.A N LEU 294.A O no hydrogen 2.810 N/A GLN 299.A N SER 295.A O no hydrogen 3.085 N/A GLN 300.A N GLN 296.A O no hydrogen 3.063 N/A GLU 301.A N LEU 297.A O no hydrogen 3.040 N/A GLY 302.A N SER 298.A O no hydrogen 3.038 N/A GLY 302.A N GLN 299.A O no hydrogen 3.269 N/A ILE 303.A N SER 298.A O no hydrogen 3.332 N/A