Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pg3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 PRO 89.A O no hydrogen 2.876 N/A TYR 6.A N VAL 17.A O no hydrogen 2.962 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.629 N/A GLN 8.A N TRP 15.A O no hydrogen 2.962 N/A LEU 10.A N THR 13.A O no hydrogen 2.776 N/A THR 13.A N LEU 10.A O no hydrogen 2.982 N/A THR 13.A OG1 ASN 11.A O no hydrogen 3.156 N/A TRP 15.A N GLN 8.A O no hydrogen 2.757 N/A GLU 16.A N TYR 100.A OH no hydrogen 2.960 N/A VAL 17.A N TYR 6.A O no hydrogen 3.229 N/A GLU 19.A N THR 4.A O no hydrogen 2.956 N/A ARG 20.A NE ASP 40.A OD1 no hydrogen 2.929 N/A ARG 20.A NH2 ASP 40.A OD1 no hydrogen 3.343 N/A ARG 20.A NH2 ASP 40.A OD2 no hydrogen 2.787 N/A TYR 21.A N PRO 18.A O no hydrogen 3.046 N/A TYR 21.A OH ASP 85.A OD1 no hydrogen 2.672 N/A GLN 22.A N PHE 39.A O no hydrogen 2.828 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.620 N/A SER 25.A N ALA 37.A O no hydrogen 3.018 N/A VAL 27.A N VAL 35.A O no hydrogen 3.074 N/A SER 29.A OG GLY 28.A O no hydrogen 2.623 N/A ALA 31.A N GLY 28.A O no hydrogen 3.202 N/A GLY 33.A N GLY 30.A O no hydrogen 3.135 N/A SER 34.A OG ASN 11.A OD1 no hydrogen 3.358 N/A CYS 36.A N VAL 49.A O no hydrogen 2.882 N/A ALA 37.A N SER 25.A O no hydrogen 2.754 N/A ALA 38.A N VAL 47.A O no hydrogen 2.792 N/A PHE 39.A N GLN 22.A O no hydrogen 2.878 N/A ASP 40.A N LEU 45.A O no hydrogen 2.752 N/A THR 41.A N ARG 20.A O no hydrogen 2.866 N/A THR 41.A OG1 ARG 20.A O no hydrogen 2.865 N/A LYS 42.A N ASP 40.A OD1 no hydrogen 3.102 N/A THR 43.A OG1 ASP 40.A OD2 no hydrogen 2.716 N/A GLY 44.A N ASP 40.A O no hydrogen 2.830 N/A LEU 45.A N ASP 40.A O no hydrogen 3.330 N/A VAL 47.A N ALA 38.A O no hydrogen 2.759 N/A ALA 48.A N THR 103.A O no hydrogen 2.829 N/A VAL 49.A N CYS 36.A O no hydrogen 2.848 N/A LYS 50.A N LEU 101.A O no hydrogen 2.778 N/A LYS 50.A NZ TYR 32.A O no hydrogen 3.554 N/A LYS 51.A N SER 34.A O no hydrogen 2.903 N/A LYS 51.A NZ ILE 14.A O no hydrogen 3.158 N/A LEU 52.A N VAL 99.A O no hydrogen 3.093 N/A ARG 54.A NH1 GLN 57.A OE1 no hydrogen 2.995 N/A GLN 57.A N ARG 54.A O no hydrogen 3.461 N/A HIS 61.A N SER 58.A OG no hydrogen 3.157 N/A HIS 61.A ND1 ARG 54.A O no hydrogen 2.475 N/A ALA 62.A N SER 58.A O no hydrogen 2.912 N/A LYS 63.A N ILE 59.A O no hydrogen 2.841 N/A LYS 63.A NZ ARG 314.A O no hydrogen 2.825 N/A ARG 64.A N ILE 60.A O no hydrogen 2.860 N/A THR 65.A N HIS 61.A O no hydrogen 2.890 N/A THR 65.A OG1 PRO 55.A O no hydrogen 3.051 N/A THR 65.A OG1 HIS 61.A O no hydrogen 2.740 N/A TYR 66.A N ALA 62.A O no hydrogen 3.061 N/A ARG 67.A N LYS 63.A O no hydrogen 2.896 N/A GLU 68.A N ARG 64.A O no hydrogen 2.956 N/A LEU 69.A N THR 65.A O no hydrogen 3.047 N/A ARG 70.A N TYR 66.A O no hydrogen 2.939 N/A LEU 71.A N ARG 67.A O no hydrogen 3.012 N/A LEU 72.A N GLU 68.A O no hydrogen 2.838 N/A LYS 73.A N LEU 69.A O no hydrogen 2.917 N/A LYS 73.A NZ GLU 328.A O no hydrogen 2.879 N/A LYS 73.A NZ GLU 328.A OE1 no hydrogen 2.821 N/A LYS 73.A NZ SER 331.A OG no hydrogen 2.954 N/A HIS 74.A N ARG 70.A O no hydrogen 3.192 N/A HIS 74.A N LEU 71.A O no hydrogen 2.958 N/A HIS 74.A ND1.B ARG 70.A O no hydrogen 2.624 N/A HIS 74.A NE2.A ASP 305.A O no hydrogen 3.006 N/A MET 75.A N LEU 71.A O no hydrogen 3.119 N/A LYS 76.A N TYR 137.A OH no hydrogen 2.953 N/A LYS 76.A NZ LYS 73.A O no hydrogen 3.204 N/A GLU 78.A N GLU 78.A OE2 no hydrogen 2.831 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.924 N/A ASN 79.A ND2 LEU 161.A O no hydrogen 3.018 N/A VAL 80.A N HIS 77.A O no hydrogen 3.325 N/A ILE 81.A N ILE 163.A O no hydrogen 2.877 N/A LEU 84.A N VAL 102.A O no hydrogen 2.760 N/A ASP 85.A N VAL 102.A O no hydrogen 3.337 N/A PHE 87.A N TYR 100.A O no hydrogen 3.083 N/A THR 88.A OG1 ASP 98.A O no hydrogen 2.937 N/A ALA 90.A N THR 88.A OG1 no hydrogen 3.230 N/A ARG 91.A N GLU 95.A OE1 no hydrogen 2.742 N/A PHE 96.A N LEU 93.A O no hydrogen 3.191 N/A TYR 100.A N PHE 87.A O no hydrogen 2.994 N/A LEU 101.A N LYS 50.A O no hydrogen 2.920 N/A VAL 102.A N ASP 85.A O no hydrogen 2.876 N/A THR 103.A N ALA 48.A O no hydrogen 3.010 N/A THR 103.A OG1 HIS 104.A O no hydrogen 2.974 N/A LEU 105.A N ARG 46.A O no hydrogen 3.085 N/A LEU 110.A N PRO 150.A O no hydrogen 3.338 N/A LEU 110.A N LEU 153.A O no hydrogen 2.913 N/A ASN 112.A N ASP 109.A OD2 no hydrogen 3.179 N/A ASN 112.A ND2 ASP 109.A O no hydrogen 3.683 N/A ILE 113.A N LEU 110.A O no hydrogen 2.969 N/A VAL 114.A N LEU 110.A O no hydrogen 2.964 N/A LYS 115.A N ASN 111.A O no hydrogen 2.916 N/A GLN 117.A N VAL 114.A O no hydrogen 2.923 N/A LEU 119.A N LEU 200.A O no hydrogen 2.975 N/A HIS 123.A N THR 120.A OG1 no hydrogen 3.263 N/A HIS 123.A NE2 SER 159.A OG no hydrogen 2.676 N/A VAL 124.A N THR 120.A O no hydrogen 2.954 N/A GLN 125.A N ASP 121.A O no hydrogen 2.917 N/A PHE 126.A N ASP 122.A O no hydrogen 3.106 N/A LEU 127.A N HIS 123.A O no hydrogen 3.016 N/A ILE 128.A N VAL 124.A O no hydrogen 2.910 N/A TYR 129.A N GLN 125.A O no hydrogen 2.901 N/A TYR 129.A OH GLU 301.A OE1 no hydrogen 2.584 N/A GLN 130.A N PHE 126.A O no hydrogen 3.202 N/A GLN 130.A NE2 PHE 126.A O no hydrogen 3.236 N/A GLN 130.A NE2 SER 159.A O no hydrogen 2.864 N/A ILE 131.A N LEU 127.A O no hydrogen 3.112 N/A LEU 132.A N ILE 128.A O no hydrogen 2.940 N/A ARG 133.A N TYR 129.A O no hydrogen 2.833 N/A ARG 133.A NE ASP 300.A O no hydrogen 2.839 N/A ARG 133.A NH1 GLU 78.A OE2 no hydrogen 3.510 N/A ARG 133.A NH1 ASN 79.A OD1 no hydrogen 2.752 N/A ARG 133.A NH2 GLU 78.A OE2 no hydrogen 3.243 N/A ARG 133.A NH2 ASP 300.A O no hydrogen 3.092 N/A ARG 133.A NH2 ASP 300.A OD2 no hydrogen 3.313 N/A GLY 134.A N GLN 130.A O no hydrogen 2.950 N/A LEU 135.A N ILE 131.A O no hydrogen 2.794 N/A LYS 136.A N LEU 132.A O no hydrogen 2.867 N/A LYS 136.A NZ GLU 301.A O no hydrogen 2.756 N/A TYR 137.A N ARG 133.A O no hydrogen 3.404 N/A TYR 137.A OH HIS 74.A O no hydrogen 3.320 N/A ILE 138.A N GLY 134.A O no hydrogen 2.996 N/A HIS 139.A N LEU 135.A O no hydrogen 2.752 N/A HIS 139.A NE2 ASP 189.A OD1 no hydrogen 2.742 N/A SER 140.A N LYS 136.A O no hydrogen 3.021 N/A SER 140.A N TYR 137.A O no hydrogen 3.172 N/A SER 140.A OG LYS 136.A O no hydrogen 3.484 N/A SER 140.A OG TYR 137.A O no hydrogen 2.640 N/A ALA 141.A N TYR 137.A O no hydrogen 3.354 N/A ALA 141.A N ILE 138.A O no hydrogen 3.141 N/A ASP 142.A N HIS 139.A O no hydrogen 2.902 N/A ILE 143.A N ILE 138.A O no hydrogen 3.281 N/A HIS 145.A N ASP 189.A OD1 no hydrogen 2.805 N/A HIS 145.A NE2 LEU 164.A O no hydrogen 2.799 N/A ARG 146.A N ASP 189.A OD2 no hydrogen 2.820 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.061 N/A LYS 149.A NZ ASP 147.A OD2 no hydrogen 3.498 N/A ASN 152.A N LYS 149.A O no hydrogen 2.978 N/A LEU 153.A N PRO 150.A O no hydrogen 3.132 N/A ALA 154.A N LYS 162.A O no hydrogen 2.899 N/A VAL 155.A N ALA 108.A O no hydrogen 3.022 N/A ASN 156.A N GLU 160.A O no hydrogen 2.970 N/A ASN 156.A ND2 GLU 160.A OE2 no hydrogen 2.770 N/A SER 159.A N ASN 156.A O no hydrogen 2.964 N/A SER 159.A OG HIS 123.A NE2 no hydrogen 2.676 N/A GLU 160.A N ASN 156.A OD1 no hydrogen 2.870 N/A LEU 161.A N GLN 130.A OE1 no hydrogen 2.881 N/A LYS 162.A N ALA 154.A O no hydrogen 2.786 N/A LYS 162.A NZ GLU 78.A O no hydrogen 2.909 N/A ILE 163.A N ASN 79.A O no hydrogen 2.770 N/A LEU 164.A N ASN 152.A O no hydrogen 3.007 N/A GLY 167.A N ASP 165.A OD2 no hydrogen 2.840 N/A TRP 171.A NE1 GLY 209.A O no hydrogen 3.030 N/A TYR 172.A OH GLU 199.A OE1 no hydrogen 2.543 N/A ARG 173.A N ARG 170.A O no hydrogen 3.307 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.764 N/A ILE 177.A N ALA 174.A O no hydrogen 2.958 N/A MET 178.A N ALA 174.A O no hydrogen 3.236 N/A ASN 180.A N ILE 177.A O no hydrogen 3.223 N/A TRP 181.A N GLU 176.A O no hydrogen 2.980 N/A THR 187.A N ASN 185.A OD1 no hydrogen 2.783 N/A THR 187.A OG1 SER 277.A O no hydrogen 2.890 N/A VAL 188.A N ASN 185.A O no hydrogen 3.129 N/A ASP 189.A N GLN 186.A O no hydrogen 3.007 N/A ILE 190.A N THR 187.A O no hydrogen 3.172 N/A TRP 191.A N THR 187.A O no hydrogen 3.176 N/A SER 192.A N VAL 188.A O no hydrogen 3.398 N/A SER 192.A OG TYR 172.A O no hydrogen 2.708 N/A SER 192.A OG VAL 188.A O no hydrogen 3.426 N/A VAL 193.A N ASP 189.A O no hydrogen 3.030 N/A GLY 194.A N ILE 190.A O no hydrogen 2.939 N/A CYS 195.A N TRP 191.A O no hydrogen 3.029 N/A CYS 195.A SG TRP 171.A O no hydrogen 4.045 N/A CYS 195.A SG TRP 191.A O no hydrogen 3.440 N/A ILE 196.A N SER 192.A O no hydrogen 2.866 N/A MET 197.A N VAL 193.A O no hydrogen 2.797 N/A ALA 198.A N GLY 194.A O no hydrogen 2.937 N/A GLU 199.A N CYS 195.A O no hydrogen 3.276 N/A LEU 200.A N ILE 196.A O no hydrogen 3.018 N/A LEU 201.A N MET 197.A O no hydrogen 3.046 N/A THR 202.A N ALA 198.A O no hydrogen 3.086 N/A THR 202.A OG1 ALA 198.A O no hydrogen 3.000 N/A GLY 203.A N GLU 199.A O no hydrogen 2.585 N/A ARG 204.A N THR 202.A OG1 no hydrogen 3.162 N/A GLY 209.A N PHE 207.A O no hydrogen 2.948 N/A GLY 209.A N GLN 215.A OE1 no hydrogen 2.964 N/A THR 210.A N ASP 214.A OD1 no hydrogen 2.774 N/A THR 210.A OG1 ASP 214.A OD1 no hydrogen 3.044 N/A HIS 212.A NE2 MET 178.A O no hydrogen 2.582 N/A ASP 214.A N ASP 211.A OD1 no hydrogen 2.894 N/A GLN 215.A N ASP 211.A O no hydrogen 3.060 N/A GLN 215.A NE2 PHE 207.A O no hydrogen 2.882 N/A LEU 216.A N HIS 212.A O no hydrogen 3.398 N/A LYS 217.A N ILE 213.A O no hydrogen 2.897 N/A LEU 218.A N ASP 214.A O no hydrogen 2.832 N/A ILE 219.A N GLN 215.A O no hydrogen 3.049 N/A LEU 220.A N LEU 216.A O no hydrogen 3.081 N/A ARG 221.A N LYS 217.A O no hydrogen 3.203 N/A LEU 222.A N ILE 219.A O no hydrogen 3.120 N/A VAL 223.A N ILE 219.A O no hydrogen 3.059 N/A THR 225.A N MET 249.A O no hydrogen 3.146 N/A THR 225.A OG1 MET 249.A O no hydrogen 3.387 N/A LEU 231.A N GLY 227.A O no hydrogen 3.060 N/A LYS 232.A N ALA 228.A O no hydrogen 3.118 N/A LYS 233.A N LEU 230.A O no hydrogen 2.920 N/A LYS 233.A NZ ASP 276.A OD1 no hydrogen 3.289 N/A LYS 233.A NZ ASP 276.A OD2 no hydrogen 2.675 N/A LYS 233.A NZ ASP 278.A OD1 no hydrogen 2.930 N/A ILE 234.A N LEU 231.A O no hydrogen 3.413 N/A SER 238.A OG SER 236.A OG no hydrogen 3.418 N/A ALA 239.A N SER 236.A OG no hydrogen 3.346 N/A ARG 240.A N SER 236.A O no hydrogen 2.940 N/A ASN 241.A N GLU 237.A O no hydrogen 2.886 N/A TYR 242.A N SER 238.A O no hydrogen 2.972 N/A ILE 243.A N ALA 239.A O no hydrogen 3.040 N/A GLN 244.A N ARG 240.A O no hydrogen 3.026 N/A SER 245.A N ASN 241.A O no hydrogen 3.025 N/A SER 245.A N TYR 242.A O no hydrogen 3.085 N/A SER 245.A OG ASN 241.A O no hydrogen 2.969 N/A LEU 246.A N ILE 243.A O no hydrogen 2.985 N/A GLN 248.A NE2 LEU 246.A O no hydrogen 3.266 N/A MET 249.A N THR 225.A OG1 no hydrogen 3.083 N/A LYS 251.A NZ GLU 270.A OE2 no hydrogen 2.589 N/A MET 252.A N LEU 222.A O no hydrogen 2.911 N/A ASN 256.A N ASN 253.A O no hydrogen 2.831 N/A VAL 257.A N PHE 254.A O no hydrogen 2.835 N/A PHE 258.A N PHE 254.A O no hydrogen 2.877 N/A ALA 261.A N PHE 258.A O no hydrogen 3.282 N/A ASN 262.A ND2 ASP 121.A OD2 no hydrogen 2.798 N/A LEU 264.A N ASN 262.A OD1 no hydrogen 2.986 N/A VAL 266.A N ASN 262.A O no hydrogen 3.103 N/A ASP 267.A N PRO 263.A O no hydrogen 2.968 N/A LEU 268.A N LEU 264.A O no hydrogen 3.046 N/A LEU 269.A N ALA 265.A O no hydrogen 3.020 N/A GLU 270.A N VAL 266.A O no hydrogen 3.043 N/A LYS 271.A N ASP 267.A O no hydrogen 3.222 N/A LYS 271.A N LEU 268.A O no hydrogen 2.961 N/A LYS 271.A NZ ASP 267.A OD1 no hydrogen 3.409 N/A LYS 271.A NZ ASP 267.A OD2 no hydrogen 3.098 N/A MET 272.A N LEU 268.A O no hydrogen 2.952 N/A MET 272.A N LEU 269.A O no hydrogen 3.116 N/A LEU 273.A N LEU 269.A O no hydrogen 2.879 N/A ASP 278.A N ASP 276.A OD1 no hydrogen 3.090 N/A LYS 279.A N ASP 276.A O no hydrogen 2.878 N/A LYS 279.A NZ GLU 229.A OE2 no hydrogen 3.499 N/A ARG 280.A N SER 277.A O no hydrogen 3.250 N/A ARG 280.A NE VAL 274.A O no hydrogen 2.728 N/A ARG 280.A NH1 GLU 176.A OE1 no hydrogen 2.832 N/A ARG 280.A NH1 THR 187.A O no hydrogen 3.109 N/A ARG 280.A NH2 GLU 176.A OE1 no hydrogen 3.340 N/A ARG 280.A NH2 GLU 176.A OE2 no hydrogen 2.868 N/A ARG 280.A NH2 VAL 274.A O no hydrogen 3.459 N/A ARG 280.A NH2 LEU 275.A O no hydrogen 2.819 N/A ILE 281.A N LYS 271.A O no hydrogen 2.992 N/A THR 282.A N GLN 285.A OE1 no hydrogen 3.079 N/A GLN 285.A N THR 282.A OG1 no hydrogen 3.125 N/A ALA 286.A N THR 282.A O no hydrogen 2.910 N/A LEU 287.A N ALA 283.A O no hydrogen 3.119 N/A ALA 288.A N GLN 285.A O no hydrogen 3.152 N/A HIS 289.A N ALA 286.A O no hydrogen 3.073 N/A TYR 291.A OH ASP 121.A OD1 no hydrogen 2.722 N/A PHE 292.A N HIS 289.A O no hydrogen 3.102 N/A ALA 293.A N ALA 290.A O no hydrogen 2.904 N/A TYR 295.A N PHE 292.A O no hydrogen 2.905 N/A TYR 295.A OH ASP 122.A O no hydrogen 3.325 N/A HIS 296.A N PHE 292.A O no hydrogen 2.869 N/A HIS 296.A ND1 GLU 301.A OE1 no hydrogen 2.644 N/A ASP 297.A N GLU 301.A OE1 no hydrogen 3.118 N/A ASP 299.A N ASP 297.A OD1 no hydrogen 3.140 N/A ASP 300.A N ASP 297.A O no hydrogen 2.972 N/A ALA 304.A N SER 140.A OG no hydrogen 2.775 N/A TYR 307.A OH GLU 312.A OE1 no hydrogen 2.893 N/A SER 310.A N ASP 308.A OD1 no hydrogen 2.975 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.693 N/A SER 310.A OG ASP 308.A OD2 no hydrogen 3.557 N/A SER 313.A N SER 310.A O no hydrogen 3.149 N/A SER 313.A OG GLN 309.A O no hydrogen 3.450 N/A SER 313.A OG SER 310.A O no hydrogen 2.805 N/A ARG 314.A NE LEU 311.A O no hydrogen 2.708 N/A ARG 314.A NH2 LEU 311.A O no hydrogen 3.297 N/A LEU 317.A N GLU 320.A OE1 no hydrogen 2.725 N/A GLU 320.A N LEU 317.A O no hydrogen 2.984 N/A TRP 321.A N LEU 317.A O no hydrogen 3.141 N/A LYS 322.A N ILE 318.A O no hydrogen 3.059 N/A LYS 322.A NZ PHE 96.A O no hydrogen 3.250 N/A SER 323.A N ASP 319.A O no hydrogen 3.145 N/A LEU 324.A N GLU 320.A O no hydrogen 2.976 N/A THR 325.A N TRP 321.A O no hydrogen 2.836 N/A THR 325.A OG1 TRP 321.A O no hydrogen 2.816 N/A TYR 326.A N LYS 322.A O no hydrogen 2.835 N/A ASP 327.A N SER 323.A O no hydrogen 3.009 N/A GLU 328.A N LEU 324.A O no hydrogen 3.192 N/A VAL 329.A N THR 325.A O no hydrogen 2.962 N/A ILE 330.A N TYR 326.A O no hydrogen 3.009 N/A SER 331.A N ASP 327.A O no hydrogen 2.962 N/A SER 331.A OG ASP 327.A O no hydrogen 3.205 N/A SER 331.A OG GLU 328.A O no hydrogen 3.491 N/A PHE 332.A N VAL 329.A O no hydrogen 3.428 N/A