Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pvd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 HIS 229.A NE2 no hydrogen 2.853 N/A LYS 8.A N GLU 11.A OE1 no hydrogen 3.051 N/A GLU 11.A N LYS 8.A O no hydrogen 2.856 N/A MET 12.A N ILE 9.A O no hydrogen 3.098 N/A THR 13.A N GLU 225.A OE1 no hydrogen 2.746 N/A THR 13.A OG1 GLU 225.A OE2 no hydrogen 2.667 N/A ASN 14.A N VAL 19.A O no hydrogen 2.898 N/A ASN 14.A ND2 SER 205.A OG no hydrogen 2.929 N/A ASN 14.A ND2 MET 218.A O no hydrogen 3.109 N/A SER 15.A OG LEU 222.A O no hydrogen 2.751 N/A ARG 16.A N ASN 14.A OD1 no hydrogen 2.884 N/A ARG 16.A NE ASP 102.A OD1 no hydrogen 3.103 N/A ARG 16.A NE ASP 102.A OD2 no hydrogen 3.021 N/A ARG 16.A NH1 GLN 171.A OE1 no hydrogen 3.022 N/A ARG 16.A NH1 ASP 219.A O no hydrogen 2.897 N/A ARG 16.A NH2 ASP 102.A OD1 no hydrogen 2.790 N/A ARG 16.A NH2 GLN 171.A O no hydrogen 2.807 N/A VAL 19.A N PHE 17.A O no hydrogen 2.717 N/A VAL 21.A N MET 12.A O no hydrogen 2.834 N/A ASP 22.A N ARG 204.A O no hydrogen 2.723 N/A GLN 23.A N ARG 204.A O no hydrogen 3.066 N/A TYR 25.A N PHE 202.A O no hydrogen 2.925 N/A THR 26.A N HIS 274.A O no hydrogen 2.952 N/A THR 26.A OG1 GLN 199.A OE1 no hydrogen 3.026 N/A THR 26.A OG1 ILE 200.A O no hydrogen 2.890 N/A SER 27.A OG ASP 273.A OD2 no hydrogen 2.696 N/A ARG 28.A N ASP 273.A OD1 no hydrogen 2.971 N/A SER 29.A N SER 27.A OG no hydrogen 2.919 N/A ILE 32.A N SER 29.A O no hydrogen 3.383 N/A GLN 35.A NE2 ALA 188.A O no hydrogen 2.984 N/A GLN 37.A N ASP 102.A OD2 no hydrogen 2.854 N/A GLN 37.A NE2 GLN 35.A O no hydrogen 2.881 N/A GLN 37.A NE2 ALA 188.A O no hydrogen 3.149 N/A ASN 38.A N ASP 102.A OD2 no hydrogen 3.075 N/A ASN 38.A ND2 CYS 100.A O no hydrogen 2.738 N/A ARG 40.A N THR 51.A OG1 no hydrogen 2.850 N/A ARG 40.A NH1 PRO 36.A O no hydrogen 2.779 N/A ARG 40.A NH1 PRO 189.A O no hydrogen 3.028 N/A ARG 40.A NH2 PRO 189.A O no hydrogen 2.856 N/A THR 42.A N GLU 46.A O no hydrogen 2.990 N/A THR 42.A OG1 ASP 44.A OD1 no hydrogen 2.626 N/A ILE 43.A N LYS 262.A O no hydrogen 2.886 N/A GLY 45.A N THR 42.A O no hydrogen 2.810 N/A GLU 46.A N THR 42.A OG1 no hydrogen 3.049 N/A LEU 48.A N ARG 40.A O no hydrogen 2.930 N/A THR 50.A N GLN 37.A O no hydrogen 2.989 N/A THR 50.A OG1 ASN 38.A OD1 no hydrogen 2.724 N/A THR 51.A N LEU 48.A O no hydrogen 3.053 N/A THR 51.A OG1 GLN 37.A O no hydrogen 2.995 N/A THR 51.A OG1 ARG 40.A O no hydrogen 3.290 N/A THR 51.A OG1 LEU 48.A O no hydrogen 3.046 N/A SER 54.A OG SER 57.A OG no hydrogen 2.796 N/A SER 57.A OG SER 54.A OG no hydrogen 2.796 N/A CYS 59.A N GLY 99.A O no hydrogen 2.655 N/A CYS 59.A SG ARG 16.A O no hydrogen 3.568 N/A ASN 60.A N SER 57.A O no hydrogen 2.977 N/A ASN 60.A ND2 SER 57.A O no hydrogen 3.233 N/A ASN 60.A ND2 VAL 58.A O no hydrogen 3.239 N/A PHE 61.A N PHE 158.A O no hydrogen 3.129 N/A GLY 63.A N THR 156.A O no hydrogen 3.082 N/A ASN 64.A N GLN 79.A O no hydrogen 2.897 N/A ASN 64.A ND2 ASN 153.A OD1 no hydrogen 3.177 N/A LEU 65.A N GLN 154.A O no hydrogen 3.341 N/A GLN 66.A N GLN 77.A O no hydrogen 2.870 N/A VAL 69.A N LEU 75.A O no hydrogen 2.861 N/A GLN 72.A N VAL 69.A O no hydrogen 3.162 N/A GLN 74.A N GLU 68.A OE2 no hydrogen 2.834 N/A LEU 75.A N GLN 72.A O no hydrogen 3.438 N/A TYR 76.A N PHE 143.A O no hydrogen 2.831 N/A TYR 76.A OH SER 147.A O no hydrogen 2.909 N/A GLN 77.A N ALA 67.A O no hydrogen 2.722 N/A GLN 77.A NE2 LEU 78.A O no hydrogen 3.070 N/A LEU 78.A N VAL 141.A O no hydrogen 2.823 N/A GLN 79.A N ASN 64.A O no hydrogen 2.992 N/A GLN 79.A NE2 LEU 80.A O no hydrogen 2.847 N/A LEU 80.A N GLY 139.A O no hydrogen 2.902 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 2.885 N/A ASN 82.A N SER 86.A O no hydrogen 2.715 N/A ASN 82.A ND2 SER 86.A O no hydrogen 3.676 N/A ASN 82.A ND2 SER 86.A OG no hydrogen 3.184 N/A GLY 85.A N ASN 82.A O no hydrogen 2.896 N/A SER 86.A N ASP 84.A OD1 no hydrogen 2.871 N/A SER 86.A OG ASP 84.A OD1 no hydrogen 2.758 N/A THR 91.A N ASP 89.A OD1 no hydrogen 2.960 N/A THR 91.A OG1 ASP 89.A OD1 no hydrogen 2.589 N/A THR 91.A OG1 ASP 89.A OD2 no hydrogen 3.294 N/A ASP 92.A N ASP 89.A O no hydrogen 2.895 N/A THR 94.A OG1 GLY 96.A O no hydrogen 3.019 N/A GLY 99.A N THR 50.A O no hydrogen 2.745 N/A CYS 100.A N PRO 97.A O no hydrogen 3.030 N/A CYS 100.A SG PRO 101.A O no hydrogen 3.476 N/A THR 104.A N ASN 170.A O no hydrogen 3.465 N/A THR 104.A OG1 GLN 173.A OE1 no hydrogen 2.763 N/A GLY 105.A N THR 129.A OG1 no hydrogen 3.030 N/A LEU 107.A N ILE 127.A O no hydrogen 2.779 N/A TYR 108.A N GLY 162.A O no hydrogen 2.799 N/A TYR 108.A OH GLU 124.A OE2 no hydrogen 2.494 N/A GLY 109.A N ALA 125.A O no hydrogen 2.917 N/A VAL 110.A N THR 159.A O no hydrogen 2.894 N/A ALA 111.A N HIS 123.A O no hydrogen 2.963 N/A SER 112.A N HIS 157.A O no hydrogen 2.768 N/A GLN 113.A N ARG 121.A O no hydrogen 2.820 N/A GLN 113.A NE2 GLU 151.A O no hydrogen 2.771 N/A GLN 113.A NE2 THR 156.A OG1 no hydrogen 2.891 N/A GLY 115.A N ALA 119.A O no hydrogen 2.741 N/A ALA 119.A N PRO 116.A O no hydrogen 3.272 N/A ARG 121.A N GLN 113.A O no hydrogen 3.129 N/A ARG 121.A NH1 GLN 113.A OE1 no hydrogen 2.981 N/A ARG 121.A NH1 GLY 115.A O no hydrogen 2.963 N/A ARG 121.A NH2 GLY 115.A O no hydrogen 2.774 N/A HIS 123.A N ALA 111.A O no hydrogen 3.085 N/A HIS 123.A NE2 ASP 149.A OD2 no hydrogen 2.783 N/A ALA 125.A N GLY 109.A O no hydrogen 2.912 N/A ARG 126.A N TYR 144.A O no hydrogen 2.821 N/A ILE 127.A N LEU 107.A O no hydrogen 2.826 N/A THR 129.A N GLY 105.A O no hydrogen 2.981 N/A THR 129.A OG1 PHE 103.A O no hydrogen 2.656 N/A THR 129.A OG1 GLY 105.A O no hydrogen 3.303 N/A GLY 130.A N ASP 128.A OD1 no hydrogen 2.764 N/A SER 131.A N ASP 128.A O no hydrogen 3.137 N/A SER 131.A OG ASP 128.A O no hydrogen 2.927 N/A PHE 134.A N SER 131.A O no hydrogen 3.057 N/A ALA 135.A N GLN 140.A O no hydrogen 2.754 N/A LYS 137.A N TYR 177.A O no hydrogen 2.856 N/A LYS 137.A NZ PRO 90.A O no hydrogen 3.288 N/A LYS 137.A NZ THR 94.A O no hydrogen 2.943 N/A ILE 138.A N ALA 135.A O no hydrogen 3.155 N/A GLY 139.A N PRO 136.A O no hydrogen 2.852 N/A GLN 140.A N ALA 135.A O no hydrogen 2.934 N/A ARG 142.A NE GLN 77.A OE1 no hydrogen 2.996 N/A PHE 143.A N TYR 76.A O no hydrogen 2.961 N/A TYR 144.A N ARG 126.A O no hydrogen 2.859 N/A SER 145.A N GLN 74.A O no hydrogen 3.089 N/A SER 145.A OG GLU 124.A O no hydrogen 2.742 N/A SER 147.A N SER 145.A OG no hydrogen 2.998 N/A ASP 149.A N SER 147.A OG no hydrogen 2.896 N/A PHE 150.A N SER 148.A O no hydrogen 2.877 N/A GLU 151.A N GLN 113.A OE1 no hydrogen 2.890 N/A ASN 153.A N LEU 65.A O no hydrogen 2.674 N/A THR 156.A N GLY 63.A O no hydrogen 2.907 N/A THR 156.A OG1 GLN 154.A O no hydrogen 2.931 N/A HIS 157.A N SER 112.A O no hydrogen 2.796 N/A PHE 158.A N PHE 61.A O no hydrogen 2.796 N/A THR 159.A N VAL 110.A O no hydrogen 2.902 N/A THR 159.A OG1 HIS 157.A ND1 no hydrogen 3.378 N/A ILE 161.A N TYR 108.A O no hydrogen 2.821 N/A GLY 162.A N TYR 108.A O no hydrogen 2.973 N/A ILE 163.A N PRO 208.A O no hydrogen 2.939 N/A TYR 164.A N LEU 106.A O no hydrogen 2.920 N/A ILE 165.A N SER 211.A O no hydrogen 3.033 N/A SER 167.A OG ASP 128.A OD1 no hydrogen 3.166 N/A ASN 170.A N THR 104.A O no hydrogen 2.754 N/A GLN 171.A NE2 ASP 219.A OD2 no hydrogen 2.825 N/A TRP 172.A N ASN 170.A OD1 no hydrogen 3.111 N/A GLN 173.A N ASN 170.A O no hydrogen 3.103 N/A ARG 176.A NH1 ASP 132.A OD1 no hydrogen 3.522 N/A ARG 176.A NH2 ASP 132.A OD1 no hydrogen 2.855 N/A TYR 177.A N ASN 184.A OD1 no hydrogen 2.919 N/A GLY 179.A N ARG 176.A O no hydrogen 3.042 N/A HIS 180.A N ASP 132.A O no hydrogen 2.968 N/A HIS 180.A ND1 ASP 132.A O no hydrogen 3.223 N/A ALA 182.A N GLY 179.A O no hydrogen 3.098 N/A ASN 184.A ND2 PRO 175.A O no hydrogen 3.018 N/A ALA 188.A N GLN 37.A OE1 no hydrogen 2.756 N/A VAL 191.A N VAL 34.A O no hydrogen 2.989 N/A GLU 198.A N PHE 195.A O no hydrogen 3.215 N/A GLN 199.A N ILE 268.A O no hydrogen 3.014 N/A LEU 201.A N MET 266.A O no hydrogen 2.818 N/A PHE 202.A N TYR 25.A O no hydrogen 2.703 N/A PHE 203.A N CYS 220.A O no hydrogen 2.858 N/A ARG 204.A N GLN 23.A O no hydrogen 2.798 N/A ARG 204.A NE ASP 219.A OD1 no hydrogen 2.721 N/A ARG 204.A NH2 ASP 219.A OD1 no hydrogen 3.553 N/A ARG 204.A NH2 ASP 219.A OD2 no hydrogen 2.873 N/A SER 205.A N MET 218.A O no hydrogen 3.000 N/A SER 205.A OG PRO 20.A O no hydrogen 2.700 N/A PHE 206.A N ASP 22.A OD2 no hydrogen 2.838 N/A ILE 207.A N GLY 216.A O no hydrogen 2.780 N/A ALA 210.A N ILE 163.A O no hydrogen 2.809 N/A GLY 216.A N THR 214.A OG1 no hydrogen 3.006 N/A MET 218.A N SER 205.A O no hydrogen 2.905 N/A ASP 219.A N GLN 171.A OE1 no hydrogen 2.817 N/A CYS 220.A N PHE 203.A O no hydrogen 2.878 N/A CYS 220.A SG PHE 203.A O no hydrogen 3.474 N/A CYS 220.A SG LEU 222.A O no hydrogen 3.325 N/A GLN 224.A N THR 13.A O no hydrogen 2.855 N/A GLN 224.A NE2 LEU 52.A O no hydrogen 2.831 N/A GLN 224.A NE2 VAL 53.A O no hydrogen 2.931 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.808 N/A PHE 226.A N PRO 223.A O no hydrogen 3.001 N/A VAL 227.A N PRO 223.A O no hydrogen 3.354 N/A GLN 228.A N GLN 224.A O no hydrogen 2.820 N/A GLN 228.A NE2 VAL 53.A O no hydrogen 3.149 N/A HIS 229.A N GLU 225.A O no hydrogen 2.972 N/A HIS 229.A NE2 THR 3.A OG1 no hydrogen 2.853 N/A PHE 230.A N PHE 226.A O no hydrogen 2.874 N/A TYR 231.A N VAL 227.A O no hydrogen 3.027 N/A GLN 232.A N GLN 228.A O no hydrogen 2.970 N/A GLU 233.A N HIS 229.A O no hydrogen 2.778 N/A ALA 234.A N PHE 230.A O no hydrogen 2.868 N/A SER 239.A OG VAL 290.A O no hydrogen 2.671 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.951 N/A VAL 241.A N SER 239.A OG no hydrogen 3.248 N/A ALA 242.A N LEU 260.A O no hydrogen 2.795 N/A LEU 243.A N ALA 288.A O no hydrogen 2.757 N/A LEU 244.A N SER 258.A O no hydrogen 2.886 N/A ARG 245.A N ARG 285.A O no hydrogen 2.997 N/A ARG 245.A NE GLU 257.A OE2 no hydrogen 3.013 N/A PHE 246.A N PHE 256.A O no hydrogen 2.796 N/A VAL 247.A N TYR 283.A O no hydrogen 2.802 N/A ASN 248.A N ARG 253.A O no hydrogen 2.850 N/A ASP 250.A N ASN 248.A OD1 no hydrogen 3.095 N/A THR 251.A N ASN 248.A O no hydrogen 3.121 N/A THR 251.A OG1 ASN 248.A O no hydrogen 3.420 N/A ARG 253.A N THR 251.A OG1 no hydrogen 3.034 N/A LEU 255.A N PHE 246.A O no hydrogen 2.780 N/A PHE 256.A N PHE 246.A O no hydrogen 3.491 N/A SER 258.A N LEU 244.A O no hydrogen 2.910 N/A SER 258.A OG THR 267.A O no hydrogen 2.782 N/A LYS 259.A N THR 267.A O no hydrogen 3.010 N/A LYS 259.A NZ GLU 198.A OE2 no hydrogen 2.912 N/A LYS 259.A NZ GLN 292.A O no hydrogen 2.772 N/A LYS 259.A NZ TYR 294.A O no hydrogen 2.841 N/A LEU 260.A N ALA 242.A O no hydrogen 2.758 N/A HIS 261.A N PHE 265.A O no hydrogen 2.750 N/A HIS 261.A NE2 THR 267.A OG1 no hydrogen 3.050 N/A LYS 262.A N GLU 240.A O no hydrogen 2.846 N/A GLN 263.A N GLN 263.A OE1 no hydrogen 2.877 N/A GLY 264.A N HIS 261.A O no hydrogen 2.834 N/A THR 267.A N LYS 259.A O no hydrogen 2.997 N/A THR 267.A OG1 GLU 198.A OE1 no hydrogen 2.804 N/A THR 267.A OG1 HIS 261.A NE2 no hydrogen 3.050 N/A ILE 268.A N GLN 199.A O no hydrogen 2.944 N/A SER 270.A N GLY 197.A O no hydrogen 3.262 N/A SER 270.A OG HIS 274.A NE2 no hydrogen 3.147 N/A HIS 274.A N THR 26.A O no hydrogen 3.044 N/A ILE 276.A N MET 24.A O no hydrogen 2.891 N/A GLY 282.A N PRO 279.A O no hydrogen 2.990 N/A TYR 283.A N VAL 247.A O no hydrogen 3.109 N/A ARG 285.A N ARG 245.A O no hydrogen 2.886 N/A ARG 285.A NH1 GLU 287.A OE1 no hydrogen 2.918 N/A GLU 287.A N LEU 243.A O no hydrogen 2.832 N/A ALA 288.A N LEU 243.A O no hydrogen 3.339 N/A VAL 290.A N VAL 241.A O no hydrogen 2.902 N/A PHE 293.A N ASN 291.A OD1 no hydrogen 2.640 N/A TYR 294.A N ASN 291.A O no hydrogen 3.291 N/A TYR 294.A OH GLU 257.A OE1 no hydrogen 3.246 N/A VAL 299.A N ALA 269.A O no hydrogen 2.811 N/A