Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pun_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 HIS 232.A NE2 no hydrogen 2.918 N/A LYS 8.A N GLU 11.A OE1 no hydrogen 2.884 N/A GLU 11.A N LYS 8.A O no hydrogen 2.892 N/A MET 12.A N ILE 9.A O no hydrogen 3.166 N/A THR 13.A N GLU 228.A OE1 no hydrogen 2.815 N/A THR 13.A OG1 GLU 228.A OE2 no hydrogen 2.589 N/A ASN 14.A N VAL 19.A O no hydrogen 2.850 N/A ASN 14.A ND2 SER 208.A OG no hydrogen 2.890 N/A ASN 14.A ND2 MET 221.A O no hydrogen 3.051 N/A SER 15.A OG LEU 225.A O no hydrogen 2.617 N/A ARG 16.A N ASN 14.A OD1 no hydrogen 2.894 N/A ARG 16.A NE ASP 102.A OD1 no hydrogen 3.181 N/A ARG 16.A NE ASP 102.A OD2 no hydrogen 3.051 N/A ARG 16.A NH1 GLN 174.A OE1 no hydrogen 2.959 N/A ARG 16.A NH1 ASP 222.A O no hydrogen 2.723 N/A ARG 16.A NH2 ASP 102.A OD1 no hydrogen 3.029 N/A ARG 16.A NH2 GLN 174.A O no hydrogen 2.720 N/A VAL 19.A N PHE 17.A O no hydrogen 2.700 N/A VAL 21.A N MET 12.A O no hydrogen 2.774 N/A ASP 22.A N ARG 207.A O no hydrogen 2.823 N/A GLN 23.A N ARG 207.A O no hydrogen 3.055 N/A TYR 25.A N PHE 205.A O no hydrogen 2.977 N/A THR 26.A N HIS 277.A O no hydrogen 2.954 N/A THR 26.A OG1 GLN 202.A OE1 no hydrogen 2.960 N/A THR 26.A OG1 ILE 203.A O no hydrogen 2.993 N/A SER 27.A OG ASP 276.A OD1 no hydrogen 3.253 N/A ARG 28.A N ASP 276.A OD1 no hydrogen 2.861 N/A SER 29.A N SER 27.A OG no hydrogen 2.726 N/A ILE 32.A N SER 29.A O no hydrogen 3.287 N/A GLN 35.A NE2 ALA 191.A O no hydrogen 2.995 N/A GLN 37.A N ASP 102.A OD2 no hydrogen 2.765 N/A GLN 37.A NE2 GLN 35.A O no hydrogen 3.076 N/A GLN 37.A NE2 ALA 191.A O no hydrogen 3.097 N/A ASN 38.A N ASP 102.A OD2 no hydrogen 3.063 N/A ASN 38.A ND2 CYS 100.A O no hydrogen 2.741 N/A ARG 40.A N THR 51.A OG1 no hydrogen 2.826 N/A ARG 40.A NH1 PRO 36.A O no hydrogen 2.818 N/A ARG 40.A NH1 PRO 192.A O no hydrogen 3.027 N/A ARG 40.A NH2 PRO 192.A O no hydrogen 2.828 N/A THR 42.A N GLU 46.A O no hydrogen 2.973 N/A THR 42.A OG1 ASP 44.A OD2 no hydrogen 2.579 N/A ILE 43.A N LYS 265.A O no hydrogen 2.845 N/A GLY 45.A N THR 42.A O no hydrogen 2.826 N/A GLU 46.A N THR 42.A OG1 no hydrogen 3.133 N/A LEU 48.A N ARG 40.A O no hydrogen 2.890 N/A THR 50.A N GLN 37.A O no hydrogen 3.006 N/A THR 50.A OG1 ASN 38.A OD1 no hydrogen 2.652 N/A THR 51.A N LEU 48.A O no hydrogen 2.998 N/A THR 51.A OG1 GLN 37.A O no hydrogen 3.067 N/A THR 51.A OG1 ARG 40.A O no hydrogen 3.229 N/A THR 51.A OG1 LEU 48.A O no hydrogen 3.018 N/A SER 54.A OG SER 57.A OG no hydrogen 2.688 N/A SER 57.A OG SER 54.A OG no hydrogen 2.688 N/A CYS 59.A N GLY 99.A O no hydrogen 2.684 N/A CYS 59.A SG ARG 16.A O no hydrogen 3.560 N/A ASN 60.A N SER 57.A O no hydrogen 2.984 N/A ASN 60.A ND2 SER 57.A O no hydrogen 3.239 N/A ASN 60.A ND2 VAL 58.A O no hydrogen 3.255 N/A PHE 61.A N PHE 158.A O no hydrogen 3.123 N/A GLY 63.A N THR 156.A O no hydrogen 2.946 N/A ASN 64.A N GLN 79.A O no hydrogen 2.928 N/A ASN 64.A ND2 GLN 79.A OE1 no hydrogen 3.117 N/A LEU 65.A N GLN 154.A O no hydrogen 3.488 N/A GLN 66.A N GLN 77.A O no hydrogen 2.859 N/A VAL 69.A N LEU 75.A O no hydrogen 2.867 N/A GLN 72.A N VAL 69.A O no hydrogen 3.292 N/A TYR 76.A N PHE 143.A O no hydrogen 2.844 N/A TYR 76.A OH SER 147.A O no hydrogen 2.983 N/A GLN 77.A N ALA 67.A O no hydrogen 2.788 N/A GLN 77.A NE2 LEU 78.A O no hydrogen 3.188 N/A LEU 78.A N VAL 141.A O no hydrogen 2.775 N/A GLN 79.A N ASN 64.A O no hydrogen 2.866 N/A LEU 80.A N GLY 139.A O no hydrogen 2.961 N/A THR 81.A N LYS 62.A O no hydrogen 2.994 N/A THR 81.A OG1 ASN 82.A O no hydrogen 2.864 N/A ASN 82.A N SER 86.A O no hydrogen 2.759 N/A GLY 85.A N ASN 82.A O no hydrogen 2.825 N/A SER 86.A N ASP 84.A OD1 no hydrogen 2.890 N/A SER 86.A OG ASN 82.A OD1 no hydrogen 3.387 N/A SER 86.A OG ASP 84.A OD1 no hydrogen 2.687 N/A THR 91.A N ASP 89.A OD1 no hydrogen 2.970 N/A THR 91.A OG1 ASP 89.A OD1 no hydrogen 2.613 N/A THR 91.A OG1 ASP 89.A OD2 no hydrogen 3.277 N/A ASP 92.A N ASP 89.A O no hydrogen 2.898 N/A THR 94.A OG1 GLY 96.A O no hydrogen 3.062 N/A GLY 99.A N THR 50.A O no hydrogen 2.807 N/A CYS 100.A N PRO 97.A O no hydrogen 2.992 N/A CYS 100.A SG PRO 101.A O no hydrogen 3.549 N/A THR 104.A OG1 GLN 176.A OE1 no hydrogen 2.733 N/A GLY 105.A N THR 129.A OG1 no hydrogen 2.944 N/A LEU 107.A N ILE 127.A O no hydrogen 2.770 N/A TYR 108.A N GLY 162.A O no hydrogen 2.727 N/A TYR 108.A OH GLU 124.A OE1 no hydrogen 2.540 N/A GLY 109.A N ALA 125.A O no hydrogen 2.957 N/A VAL 110.A N THR 159.A O no hydrogen 2.926 N/A ALA 111.A N HIS 123.A O no hydrogen 2.920 N/A SER 112.A N HIS 157.A O no hydrogen 2.802 N/A GLN 113.A N ARG 121.A O no hydrogen 2.769 N/A GLN 113.A NE2 GLU 151.A O no hydrogen 2.783 N/A GLN 113.A NE2 THR 156.A OG1 no hydrogen 2.949 N/A GLY 115.A N ALA 119.A O no hydrogen 2.692 N/A ALA 119.A N PRO 116.A O no hydrogen 3.146 N/A ARG 121.A N GLN 113.A O no hydrogen 3.156 N/A ARG 121.A NH1 GLN 113.A OE1 no hydrogen 2.844 N/A ARG 121.A NH1 GLY 115.A O no hydrogen 2.957 N/A ARG 121.A NH2 GLY 115.A O no hydrogen 2.713 N/A HIS 123.A N ALA 111.A O no hydrogen 2.999 N/A HIS 123.A NE2 ASP 149.A OD2 no hydrogen 2.710 N/A ALA 125.A N GLY 109.A O no hydrogen 2.945 N/A ARG 126.A N TYR 144.A O no hydrogen 2.869 N/A ILE 127.A N LEU 107.A O no hydrogen 2.822 N/A THR 129.A N GLY 105.A O no hydrogen 2.998 N/A THR 129.A OG1 PHE 103.A O no hydrogen 2.625 N/A THR 129.A OG1 GLY 105.A O no hydrogen 3.271 N/A GLY 130.A N ASP 128.A OD1 no hydrogen 2.733 N/A SER 131.A N ASP 128.A O no hydrogen 3.174 N/A SER 131.A OG ASP 128.A O no hydrogen 2.946 N/A PHE 134.A N SER 131.A O no hydrogen 3.109 N/A ALA 135.A N GLN 140.A O no hydrogen 2.717 N/A LYS 137.A N TYR 180.A O no hydrogen 2.903 N/A LYS 137.A NZ PRO 95.A O no hydrogen 3.453 N/A LYS 137.A NZ ASN 188.A OD1 no hydrogen 2.932 N/A ILE 138.A N ALA 135.A O no hydrogen 3.110 N/A GLY 139.A N PRO 136.A O no hydrogen 2.777 N/A GLN 140.A N ALA 135.A O no hydrogen 2.928 N/A ARG 142.A NE GLN 77.A OE1 no hydrogen 2.831 N/A PHE 143.A N TYR 76.A O no hydrogen 2.984 N/A TYR 144.A N ARG 126.A O no hydrogen 2.957 N/A SER 145.A N GLN 74.A O no hydrogen 3.182 N/A SER 145.A OG GLU 124.A O no hydrogen 2.865 N/A SER 147.A N SER 145.A OG no hydrogen 3.025 N/A ASP 149.A N SER 147.A OG no hydrogen 2.839 N/A PHE 150.A N SER 148.A O no hydrogen 2.799 N/A GLU 151.A N GLN 113.A OE1 no hydrogen 2.819 N/A ASN 153.A N LEU 65.A O no hydrogen 2.774 N/A THR 156.A N GLY 63.A O no hydrogen 2.821 N/A THR 156.A OG1 GLN 154.A O no hydrogen 2.917 N/A HIS 157.A N SER 112.A O no hydrogen 2.832 N/A PHE 158.A N PHE 61.A O no hydrogen 2.805 N/A THR 159.A N VAL 110.A O no hydrogen 2.877 N/A THR 159.A OG1 HIS 157.A ND1 no hydrogen 3.360 N/A ILE 161.A N TYR 108.A O no hydrogen 2.803 N/A GLY 162.A N TYR 108.A O no hydrogen 2.987 N/A ILE 163.A N PRO 211.A O no hydrogen 3.040 N/A TYR 164.A N LEU 106.A O no hydrogen 2.914 N/A ILE 165.A N SER 214.A O no hydrogen 3.000 N/A GLY 167.A N ASP 171.A OD1 no hydrogen 3.189 N/A ASN 168.A N ASP 171.A OD1 no hydrogen 2.648 N/A ASP 171.A N ASN 168.A O no hydrogen 3.140 N/A ASN 173.A N THR 104.A O no hydrogen 2.767 N/A GLN 174.A NE2 ASP 222.A OD2 no hydrogen 2.909 N/A TRP 175.A N ASN 173.A OD1 no hydrogen 3.055 N/A GLN 176.A N ASN 173.A O no hydrogen 3.055 N/A ARG 179.A NH1 ASP 132.A OD1 no hydrogen 3.316 N/A ARG 179.A NH2 GLY 130.A O no hydrogen 3.085 N/A ARG 179.A NH2 ASP 132.A OD1 no hydrogen 2.873 N/A TYR 180.A N ASN 187.A OD1 no hydrogen 2.915 N/A GLY 182.A N ARG 179.A O no hydrogen 2.992 N/A HIS 183.A N ASP 132.A O no hydrogen 2.907 N/A ALA 185.A N GLY 182.A O no hydrogen 3.168 N/A ASN 187.A ND2 PRO 178.A O no hydrogen 2.998 N/A ALA 191.A N GLN 37.A OE1 no hydrogen 2.754 N/A VAL 194.A N VAL 34.A O no hydrogen 2.927 N/A GLU 201.A N PHE 198.A O no hydrogen 3.195 N/A GLN 202.A N ILE 271.A O no hydrogen 3.032 N/A LEU 204.A N MET 269.A O no hydrogen 2.793 N/A PHE 205.A N TYR 25.A O no hydrogen 2.710 N/A PHE 206.A N CYS 223.A O no hydrogen 2.815 N/A ARG 207.A N GLN 23.A O no hydrogen 2.840 N/A ARG 207.A NE ASP 222.A OD1 no hydrogen 2.755 N/A ARG 207.A NH2 ASP 222.A OD2 no hydrogen 2.886 N/A SER 208.A N MET 221.A O no hydrogen 2.962 N/A SER 208.A OG PRO 20.A O no hydrogen 2.717 N/A PHE 209.A N ASP 22.A OD2 no hydrogen 2.789 N/A ILE 210.A N GLY 219.A O no hydrogen 2.785 N/A ALA 213.A N ILE 163.A O no hydrogen 2.821 N/A SER 214.A OG ILE 165.A O no hydrogen 3.371 N/A GLY 219.A N THR 217.A OG1 no hydrogen 2.935 N/A MET 221.A N SER 208.A O no hydrogen 2.897 N/A ASP 222.A N GLN 174.A OE1 no hydrogen 2.806 N/A CYS 223.A N PHE 206.A O no hydrogen 2.967 N/A CYS 223.A SG PHE 206.A O no hydrogen 3.373 N/A CYS 223.A SG LEU 225.A O no hydrogen 3.291 N/A GLN 227.A N THR 13.A O no hydrogen 2.791 N/A GLN 227.A NE2 LEU 52.A O no hydrogen 2.868 N/A GLN 227.A NE2 VAL 53.A O no hydrogen 3.005 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.808 N/A PHE 229.A N PRO 226.A O no hydrogen 3.004 N/A VAL 230.A N PRO 226.A O no hydrogen 3.414 N/A GLN 231.A N GLN 227.A O no hydrogen 2.846 N/A GLN 231.A NE2 VAL 53.A O no hydrogen 3.131 N/A HIS 232.A N GLU 228.A O no hydrogen 2.951 N/A HIS 232.A NE2 THR 3.A OG1 no hydrogen 2.918 N/A PHE 233.A N PHE 229.A O no hydrogen 2.854 N/A TYR 234.A N VAL 230.A O no hydrogen 3.024 N/A GLN 235.A N GLN 231.A O no hydrogen 2.944 N/A GLU 236.A N HIS 232.A O no hydrogen 2.783 N/A ALA 237.A N PHE 233.A O no hydrogen 2.874 N/A SER 242.A OG VAL 293.A O no hydrogen 2.589 N/A VAL 244.A N SER 242.A OG no hydrogen 3.272 N/A ALA 245.A N LEU 263.A O no hydrogen 2.765 N/A LEU 246.A N ALA 291.A O no hydrogen 2.742 N/A LEU 247.A N SER 261.A O no hydrogen 2.920 N/A ARG 248.A N ARG 288.A O no hydrogen 2.884 N/A ARG 248.A NH2 GLU 260.A OE2 no hydrogen 2.661 N/A PHE 249.A N PHE 259.A O no hydrogen 2.826 N/A VAL 250.A N TYR 286.A O no hydrogen 2.744 N/A ASN 251.A N ARG 256.A O no hydrogen 2.974 N/A ASP 253.A N ASN 251.A OD1 no hydrogen 2.952 N/A THR 254.A N ASN 251.A O no hydrogen 3.041 N/A THR 254.A OG1 ASN 251.A O no hydrogen 3.465 N/A GLY 255.A N ASN 251.A O no hydrogen 2.790 N/A ARG 256.A N THR 254.A OG1 no hydrogen 3.212 N/A LEU 258.A N PHE 249.A O no hydrogen 2.726 N/A SER 261.A N LEU 247.A O no hydrogen 3.064 N/A SER 261.A OG THR 270.A O no hydrogen 2.833 N/A LYS 262.A N THR 270.A O no hydrogen 2.860 N/A LYS 262.A NZ GLU 201.A OE2 no hydrogen 2.722 N/A LYS 262.A NZ GLN 295.A O no hydrogen 2.800 N/A LYS 262.A NZ TYR 297.A O no hydrogen 2.867 N/A LEU 263.A N ALA 245.A O no hydrogen 2.809 N/A HIS 264.A N PHE 268.A O no hydrogen 2.797 N/A HIS 264.A NE2 THR 270.A OG1 no hydrogen 3.164 N/A LYS 265.A N GLU 243.A O no hydrogen 2.964 N/A GLN 266.A N GLN 266.A OE1 no hydrogen 2.979 N/A GLY 267.A N HIS 264.A O no hydrogen 2.732 N/A THR 270.A N LYS 262.A O no hydrogen 2.916 N/A THR 270.A OG1 GLU 201.A OE1 no hydrogen 2.721 N/A THR 270.A OG1 HIS 264.A NE2 no hydrogen 3.164 N/A ILE 271.A N GLN 202.A O no hydrogen 2.960 N/A SER 273.A N GLY 200.A O no hydrogen 3.295 N/A SER 273.A OG HIS 277.A NE2 no hydrogen 3.072 N/A HIS 277.A N THR 26.A O no hydrogen 2.995 N/A ILE 279.A N MET 24.A O no hydrogen 2.928 N/A GLY 285.A N PRO 282.A O no hydrogen 2.999 N/A TYR 286.A N VAL 250.A O no hydrogen 2.964 N/A ARG 288.A N ARG 248.A O no hydrogen 2.929 N/A ARG 288.A NH1 GLU 290.A OE1 no hydrogen 2.642 N/A GLU 290.A N LEU 246.A O no hydrogen 2.828 N/A ALA 291.A N LEU 246.A O no hydrogen 3.387 N/A VAL 293.A N VAL 244.A O no hydrogen 2.878 N/A PHE 296.A N ASN 294.A OD1 no hydrogen 2.580 N/A TYR 297.A N ASN 294.A O no hydrogen 3.356 N/A TYR 297.A OH GLU 260.A OE1 no hydrogen 3.082 N/A VAL 302.A N ALA 272.A O no hydrogen 2.885 N/A