Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pgc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.925 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.606 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.795 N/A LEU 5.A N CYS 101.A O no hydrogen 2.796 N/A ARG 6.A N TYR 27.A O no hydrogen 2.910 N/A ARG 6.A NH1 ASP 30.A OD1 no hydrogen 3.413 N/A ARG 6.A NH2 ASP 30.A OD1 no hydrogen 3.419 N/A TYR 7.A N SER 99.A O no hydrogen 2.734 N/A PHE 8.A N VAL 25.A O no hydrogen 2.750 N/A VAL 9.A N VAL 97.A O no hydrogen 2.891 N/A THR 10.A N MET 23.A O no hydrogen 2.801 N/A ALA 11.A N ILE 95.A O no hydrogen 2.916 N/A VAL 12.A N ARG 21.A O no hydrogen 2.884 N/A SER 13.A N HIS 93.A O no hydrogen 2.987 N/A SER 13.A OG HIS 93.A O no hydrogen 3.340 N/A LEU 17.A N ARG 14.A O no hydrogen 2.891 N/A ARG 21.A N VAL 12.A O no hydrogen 2.852 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.873 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.833 N/A TYR 22.A N SER 38.A OG no hydrogen 2.846 N/A TYR 22.A OH GLU 24.A OE2 no hydrogen 2.605 N/A MET 23.A N THR 10.A O no hydrogen 2.837 N/A GLU 24.A N PHE 36.A O no hydrogen 2.936 N/A VAL 25.A N PHE 8.A O no hydrogen 2.910 N/A GLY 26.A N VAL 34.A O no hydrogen 3.051 N/A TYR 27.A N ARG 6.A O no hydrogen 2.752 N/A VAL 28.A N THR 31.A O no hydrogen 3.002 N/A ASP 29.A N SER 4.A O no hydrogen 2.919 N/A THR 31.A N VAL 28.A O no hydrogen 2.865 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 3.362 N/A PHE 33.A N GLY 26.A O no hydrogen 2.891 N/A ARG 35.A N GLU 46.A O no hydrogen 3.047 N/A ARG 35.A NE GLU 32.A OE2 no hydrogen 2.939 N/A ARG 35.A NH2 GLU 32.A OE1 no hydrogen 2.952 N/A ARG 35.A NH2 GLU 32.A OE2 no hydrogen 3.527 N/A PHE 36.A N GLU 24.A O no hydrogen 2.922 N/A SER 38.A N TYR 22.A O no hydrogen 2.881 N/A SER 38.A OG TYR 22.A O no hydrogen 3.319 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.926 N/A ALA 40.A N SER 38.A O no hydrogen 2.770 N/A ARG 44.A NH1 GLU 61.A OE1 no hydrogen 2.751 N/A ARG 44.A NH2 GLU 61.A OE1 no hydrogen 3.304 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.010 N/A TYR 45.A OH GLU 24.A OE1 no hydrogen 2.540 N/A GLU 46.A N ARG 35.A O no hydrogen 2.882 N/A ARG 48.A N PHE 33.A O no hydrogen 2.808 N/A ARG 48.A NE GLU 32.A OE2 no hydrogen 2.802 N/A MET 52.A N ALA 49.A O no hydrogen 2.873 N/A GLU 53.A N ARG 50.A O no hydrogen 3.096 N/A GLU 55.A N MET 52.A O no hydrogen 3.068 N/A GLU 58.A N GLU 58.A OE2 no hydrogen 3.299 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.664 N/A TRP 60.A N GLY 56.A O no hydrogen 3.424 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.109 N/A GLU 61.A N PRO 57.A O no hydrogen 2.837 N/A ARG 62.A N GLU 58.A O no hydrogen 2.991 N/A ARG 62.A NH1 GLU 63.A OE2 no hydrogen 3.291 N/A GLU 63.A N TYR 59.A O no hydrogen 2.928 N/A THR 64.A N TRP 60.A O no hydrogen 2.946 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.792 N/A GLN 65.A N GLU 61.A O no hydrogen 2.973 N/A GLN 65.A NE2 GLU 61.A OE2 no hydrogen 3.221 N/A LYS 66.A N ARG 62.A O no hydrogen 3.059 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 3.548 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.720 N/A ALA 67.A N GLU 63.A O no hydrogen 2.987 N/A LYS 68.A N THR 64.A O no hydrogen 2.974 N/A GLY 69.A N GLN 65.A O no hydrogen 2.894 N/A ASN 70.A N LYS 66.A O no hydrogen 2.705 N/A ASN 70.A ND2 GLU 24.A OE2 no hydrogen 2.922 N/A GLU 71.A N ALA 67.A O no hydrogen 2.825 N/A GLN 72.A N LYS 68.A O no hydrogen 3.298 N/A SER 73.A N GLY 69.A O no hydrogen 3.204 N/A SER 73.A OG GLY 69.A O no hydrogen 2.863 N/A PHE 74.A N ASN 70.A O no hydrogen 2.828 N/A ARG 75.A N GLU 71.A O no hydrogen 2.957 N/A ARG 75.A NE GLU 19.A OE1 no hydrogen 3.211 N/A VAL 76.A N GLN 72.A O no hydrogen 3.124 N/A ASP 77.A N SER 73.A O no hydrogen 2.898 N/A LEU 78.A N PHE 74.A O no hydrogen 2.855 N/A ARG 79.A N ARG 75.A O no hydrogen 3.478 N/A ARG 79.A NH2 ARG 79.A O no hydrogen 3.026 N/A THR 80.A N VAL 76.A O no hydrogen 2.919 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.129 N/A LEU 81.A N ASP 77.A O no hydrogen 2.933 N/A LEU 82.A N LEU 78.A O no hydrogen 3.213 N/A GLY 83.A N ARG 79.A O no hydrogen 3.396 N/A TYR 84.A N THR 80.A O no hydrogen 3.029 N/A TYR 85.A N LEU 81.A O no hydrogen 3.032 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.359 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.677 N/A ASN 86.A N GLY 83.A O no hydrogen 3.090 N/A GLN 87.A N LEU 82.A O no hydrogen 2.808 N/A GLY 90.A N SER 88.A OG no hydrogen 2.939 N/A SER 92.A OG SER 13.A O no hydrogen 2.713 N/A HIS 93.A N SER 13.A OG no hydrogen 2.810 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.832 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.008 N/A ILE 95.A N ALA 11.A O no hydrogen 2.941 N/A GLN 96.A N ALA 117.A O no hydrogen 2.903 N/A VAL 97.A N VAL 9.A O no hydrogen 2.986 N/A ILE 98.A N GLN 115.A O no hydrogen 2.829 N/A SER 99.A N TYR 7.A O no hydrogen 3.088 N/A SER 99.A OG GLN 114.A OE1 no hydrogen 2.700 N/A GLY 100.A N TYR 113.A O no hydrogen 2.915 N/A CYS 101.A N LEU 5.A O no hydrogen 2.860 N/A CYS 101.A SG LEU 5.A O no hydrogen 4.034 N/A GLU 102.A N ARG 111.A O no hydrogen 2.964 N/A VAL 103.A N HIS 3.A O no hydrogen 2.817 N/A GLY 104.A N ARG 108.A O no hydrogen 2.846 N/A GLY 107.A N GLY 104.A O no hydrogen 2.987 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.082 N/A LEU 110.A N GLU 102.A O no hydrogen 2.768 N/A ARG 111.A N GLU 102.A O no hydrogen 3.272 N/A TYR 113.A N GLY 100.A O no hydrogen 2.750 N/A TYR 113.A OH GLU 102.A OE2 no hydrogen 2.555 N/A GLN 114.A NE2 TYR 116.A OH no hydrogen 3.123 N/A GLN 115.A N ILE 98.A O no hydrogen 2.782 N/A TYR 116.A N ILE 124.A O no hydrogen 2.803 N/A ALA 117.A N GLN 96.A O no hydrogen 2.805 N/A TYR 118.A N CYS 121.A O no hydrogen 2.868 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.625 N/A ASP 119.A N THR 94.A O no hydrogen 2.882 N/A CYS 121.A N TYR 118.A O no hydrogen 3.049 N/A CYS 121.A SG ASP 119.A O no hydrogen 3.910 N/A TYR 123.A N TYR 116.A O no hydrogen 2.876 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.627 N/A ALA 125.A N THR 134.A O no hydrogen 3.044 N/A LEU 126.A N GLN 114.A O no hydrogen 2.927 N/A ASN 127.A N THR 132.A O no hydrogen 2.765 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.713 N/A LEU 130.A N ASN 127.A O no hydrogen 2.960 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.815 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.122 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.288 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.773 N/A THR 134.A N ALA 125.A O no hydrogen 2.919 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.448 N/A ALA 136.A N TYR 123.A O no hydrogen 2.889 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.969 N/A LEU 141.A N ASP 137.A O no hydrogen 3.215 N/A ILE 142.A N ALA 139.A O no hydrogen 3.055 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.627 N/A LYS 144.A N ALA 140.A O no hydrogen 2.903 N/A LYS 144.A NZ GLU 148.A OE2 no hydrogen 2.835 N/A HIS 145.A N LEU 141.A O no hydrogen 2.990 N/A LYS 146.A N ILE 142.A O no hydrogen 3.072 N/A TRP 147.A N THR 143.A O no hydrogen 2.859 N/A GLU 148.A N LYS 144.A O no hydrogen 2.872 N/A GLN 149.A N HIS 145.A O no hydrogen 3.119 N/A ALA 150.A N LYS 146.A O no hydrogen 3.215 N/A GLY 151.A N GLU 148.A O no hydrogen 2.954 N/A GLU 152.A N TRP 147.A O no hydrogen 2.971 N/A LEU 156.A N GLU 152.A O no hydrogen 3.040 N/A ARG 157.A N ALA 153.A O no hydrogen 2.872 N/A ARG 157.A NE GLU 161.A OE2 no hydrogen 2.819 N/A ARG 157.A NH2 GLU 161.A OE2 no hydrogen 3.370 N/A ALA 158.A N GLU 154.A O no hydrogen 3.144 N/A TYR 159.A N ARG 155.A O no hydrogen 3.327 N/A LEU 160.A N LEU 156.A O no hydrogen 3.039 N/A GLU 161.A N ARG 157.A O no hydrogen 2.959 N/A GLY 162.A N ALA 158.A O no hydrogen 2.919 N/A CYS 164.A N TYR 159.A O no hydrogen 2.944 N/A CYS 164.A SG LEU 5.A O no hydrogen 3.981 N/A GLU 166.A N GLY 162.A O no hydrogen 2.933 N/A TRP 167.A N THR 163.A O no hydrogen 2.914 N/A LEU 168.A N CYS 164.A O no hydrogen 2.914 N/A ARG 169.A N VAL 165.A O no hydrogen 2.969 N/A ARG 170.A N GLU 166.A O no hydrogen 3.095 N/A TYR 171.A N TRP 167.A O no hydrogen 2.858 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.664 N/A LEU 172.A N LEU 168.A O no hydrogen 2.886 N/A LYS 173.A N ARG 169.A O no hydrogen 3.036 N/A ASN 174.A N ARG 170.A O no hydrogen 3.331 N/A GLY 175.A N TYR 171.A O no hydrogen 2.918 N/A ASN 176.A N LEU 172.A O no hydrogen 2.702 N/A LEU 179.A N GLY 175.A O no hydrogen 2.789 N/A LEU 180.A N ASN 176.A O no hydrogen 2.831 N/A LEU 180.A N ALA 177.A O no hydrogen 3.135 N/A ARG 181.A N THR 178.A O no hydrogen 3.176 N/A ARG 181.A NE ASP 183.A OD2 no hydrogen 3.256 N/A ARG 181.A NH2 ASP 183.A OD2 no hydrogen 2.941 N/A ASP 183.A N TYR 209.A O no hydrogen 2.808 N/A LYS 186.A N LEU 206.A O no hydrogen 2.999 N/A HIS 188.A N TRP 204.A O no hydrogen 3.239 N/A THR 190.A N ARG 202.A O no hydrogen 2.908 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.930 N/A HIS 191.A NE2 GLU 254.A OE2 no hydrogen 2.796 N/A HIS 192.A N THR 200.A O no hydrogen 2.942 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.930 N/A SER 193.A OG ARG 194.A O no hydrogen 3.110 N/A SER 193.A OG LYS 198.A O no hydrogen 3.532 N/A VAL 199.A N VAL 249.A O no hydrogen 2.897 N/A THR 200.A N HIS 192.A O no hydrogen 2.829 N/A LEU 201.A N VAL 247.A O no hydrogen 3.001 N/A ARG 202.A N THR 190.A O no hydrogen 2.970 N/A CYS 203.A N ALA 245.A O no hydrogen 2.682 N/A TRP 204.A N HIS 188.A O no hydrogen 2.941 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 3.191 N/A ALA 205.A N LYS 243.A O no hydrogen 2.903 N/A LEU 206.A N LYS 186.A O no hydrogen 2.899 N/A PHE 208.A N PHE 241.A O no hydrogen 3.442 N/A TYR 209.A N ASP 183.A O no hydrogen 2.940 N/A THR 214.A N TYR 262.A O no hydrogen 3.073 N/A THR 216.A N HIS 260.A O no hydrogen 2.992 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.962 N/A GLN 218.A N THR 258.A O no hydrogen 2.769 N/A LEU 219.A N GLU 222.A O no hydrogen 3.035 N/A LEU 224.A N TRP 217.A O no hydrogen 2.950 N/A MET 228.A N LEU 224.A O no hydrogen 3.394 N/A GLU 229.A N SER 246.A O no hydrogen 2.788 N/A VAL 231.A N TRP 244.A O no hydrogen 3.388 N/A ARG 234.A N GLN 242.A O no hydrogen 3.143 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.850 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 2.996 N/A ALA 236.A N THR 240.A O no hydrogen 2.896 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.152 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.636 N/A PHE 241.A N PHE 208.A O no hydrogen 2.838 N/A GLN 242.A N ARG 234.A O no hydrogen 2.875 N/A LYS 243.A N ALA 205.A O no hydrogen 3.008 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.769 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.247 N/A ALA 245.A N CYS 203.A O no hydrogen 2.932 N/A SER 246.A N GLU 229.A O no hydrogen 2.859 N/A VAL 247.A N LEU 201.A O no hydrogen 2.992 N/A VAL 249.A N VAL 199.A O no hydrogen 2.771 N/A LEU 251.A N ASP 197.A O no hydrogen 2.992 N/A LYS 253.A N PRO 250.A O no hydrogen 3.108 N/A LYS 253.A NZ TYR 256.A OH no hydrogen 3.556 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.760 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 2.821 N/A TYR 256.A N LYS 253.A O no hydrogen 3.106 N/A TYR 257.A N GLU 254.A O no hydrogen 3.314 N/A THR 258.A N GLN 218.A O no hydrogen 2.921 N/A CYS 259.A N LEU 272.A O no hydrogen 2.741 N/A CYS 259.A SG THR 216.A O no hydrogen 3.639 N/A HIS 260.A N THR 216.A O no hydrogen 2.892 N/A VAL 261.A N LEU 270.A O no hydrogen 3.031 N/A TYR 262.A N THR 214.A O no hydrogen 2.935 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 3.082 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.100 N/A LEU 266.A N HIS 263.A O no hydrogen 2.868 N/A LEU 270.A N VAL 261.A O no hydrogen 3.119 N/A THR 271.A OG1 HIS 260.A NE2 no hydrogen 3.422 N/A LEU 272.A N CYS 259.A O no hydrogen 2.909 N/A ARG 273.A NE GLN 255.A O no hydrogen 3.039 N/A ARG 273.A NH2 GLN 255.A O no hydrogen 2.985 N/A