Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pgy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG LEU 4.A O no hydrogen 3.360 N/A THR 16.A N LYS 13.A O no hydrogen 3.131 N/A ARG 19.A NE ASP 21.A OD2 no hydrogen 2.996 N/A ARG 19.A NH1 GLU 35.A O no hydrogen 2.964 N/A ARG 19.A NH2 ASP 21.A OD1 no hydrogen 2.653 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 3.470 N/A ARG 19.A NH2 VAL 262.A O no hydrogen 3.059 N/A ASP 21.A N ASP 21.A OD2 no hydrogen 2.572 N/A THR 26.A N ALA 30.A O no hydrogen 2.850 N/A TRP 28.A N THR 26.A OG1 no hydrogen 3.203 N/A TRP 28.A NE1 PRO 242.A O no hydrogen 2.829 N/A LEU 29.A N THR 26.A O no hydrogen 2.786 N/A ALA 30.A N THR 26.A OG1 no hydrogen 3.213 N/A ILE 32.A N VAL 24.A O no hydrogen 2.912 N/A VAL 33.A N VAL 245.A O no hydrogen 2.903 N/A TRP 34.A NE1 LEU 23.A O no hydrogen 2.850 N/A GLU 35.A N GLU 249.A OE1 no hydrogen 2.810 N/A GLU 35.A N GLU 249.A OE2 no hydrogen 3.262 N/A THR 37.A N TRP 34.A O no hydrogen 3.115 N/A THR 37.A OG1 TRP 34.A O no hydrogen 2.623 N/A ASP 41.A N ASN 39.A OD1 no hydrogen 2.916 N/A ILE 42.A N ASN 39.A O no hydrogen 3.182 N/A LEU 43.A N ASN 39.A O no hydrogen 3.357 N/A ASN 44.A N ILE 40.A O no hydrogen 2.790 N/A GLU 45.A N ASP 41.A O no hydrogen 3.237 N/A GLN 46.A N ILE 42.A O no hydrogen 3.122 N/A PHE 47.A N LEU 43.A O no hydrogen 3.135 N/A ARG 48.A N ASN 44.A O no hydrogen 2.902 N/A LEU 49.A N GLU 45.A O no hydrogen 2.960 N/A GLN 50.A NE2 GLN 46.A O no hydrogen 3.542 N/A ASN 51.A N ARG 48.A O no hydrogen 2.895 N/A ASN 51.A ND2 ASN 51.A O no hydrogen 3.248 N/A THR 52.A N PHE 47.A O no hydrogen 3.340 N/A THR 52.A OG1 PHE 47.A O no hydrogen 2.731 N/A THR 53.A N ASP 132.A OD2 no hydrogen 2.866 N/A ILE 54.A N ARG 84.A O no hydrogen 2.876 N/A GLY 55.A N TYR 133.A O no hydrogen 2.740 N/A LEU 56.A N HIS 86.A O no hydrogen 2.963 N/A THR 57.A N VAL 135.A O no hydrogen 2.756 N/A THR 57.A OG1 VAL 135.A O no hydrogen 3.372 N/A VAL 58.A N TYR 88.A O no hydrogen 2.991 N/A ALA 60.A N PHE 90.A O no hydrogen 2.702 N/A LYS 62.A N ASP 92.A OD1 no hydrogen 3.107 N/A LYS 62.A N ASP 92.A OD2 no hydrogen 3.389 N/A TYR 64.A N ILE 61.A O no hydrogen 3.018 N/A VAL 65.A N LYS 62.A O no hydrogen 3.466 N/A ALA 66.A N LYS 63.A O no hydrogen 3.124 N/A PHE 67.A N TYR 64.A O no hydrogen 3.124 N/A LEU 68.A N VAL 65.A O no hydrogen 3.417 N/A LYS 69.A NZ GLU 73.A OE1 no hydrogen 2.874 N/A LYS 69.A NZ GLU 73.A OE2 no hydrogen 2.752 N/A PHE 71.A N PHE 67.A O no hydrogen 3.078 N/A LEU 72.A N LEU 68.A O no hydrogen 2.925 N/A GLU 73.A N LYS 69.A O no hydrogen 3.018 N/A THR 74.A N LEU 70.A O no hydrogen 3.034 N/A THR 74.A OG1 LEU 70.A O no hydrogen 2.797 N/A THR 74.A OG1 PHE 71.A O no hydrogen 3.069 N/A ALA 75.A N PHE 71.A O no hydrogen 2.935 N/A GLU 76.A N LEU 72.A O no hydrogen 2.945 N/A LYS 77.A N THR 74.A O no hydrogen 3.133 N/A HIS 78.A N ALA 75.A O no hydrogen 3.301 N/A PHE 79.A N ALA 75.A O no hydrogen 2.861 N/A MET 80.A N VAL 147.A O no hydrogen 2.874 N/A HIS 83.A N MET 80.A O no hydrogen 3.058 N/A HIS 83.A NE2 ASN 44.A OD1 no hydrogen 2.814 N/A ARG 84.A NE THR 53.A OG1 no hydrogen 2.990 N/A ARG 84.A NH1 THR 53.A OG1 no hydrogen 3.063 N/A VAL 85.A N GLY 105.A O no hydrogen 3.430 N/A HIS 86.A N ILE 54.A O no hydrogen 2.932 N/A HIS 86.A NE2 SER 109.A OG no hydrogen 2.884 N/A TYR 87.A N GLN 107.A O no hydrogen 2.758 N/A TYR 87.A OH GLU 76.A OE2 no hydrogen 2.503 N/A TYR 88.A N LEU 56.A O no hydrogen 2.965 N/A TYR 88.A OH GLU 130.A OE1 no hydrogen 2.768 N/A VAL 89.A N SER 109.A O no hydrogen 2.837 N/A PHE 90.A N VAL 58.A O no hydrogen 2.868 N/A THR 91.A N LEU 111.A O no hydrogen 3.006 N/A THR 91.A OG1 ALA 60.A O no hydrogen 2.725 N/A GLN 93.A N THR 91.A OG1 no hydrogen 3.073 N/A ALA 96.A N GLN 93.A O no hydrogen 2.984 N/A VAL 97.A N PRO 94.A O no hydrogen 3.450 N/A GLY 103.A N GLU 76.A OE1 no hydrogen 2.703 N/A ARG 106.A NE GLU 76.A OE2 no hydrogen 2.696 N/A ARG 106.A NH1 PHE 79.A O no hydrogen 2.750 N/A ARG 106.A NH1 TYR 87.A OH no hydrogen 2.977 N/A ARG 106.A NH2 PHE 79.A O no hydrogen 3.044 N/A ARG 106.A NH2 MET 80.A O no hydrogen 3.290 N/A GLN 107.A N VAL 85.A O no hydrogen 2.951 N/A SER 109.A N TYR 87.A O no hydrogen 2.800 N/A SER 109.A OG HIS 86.A NE2 no hydrogen 2.884 N/A LEU 111.A N VAL 89.A O no hydrogen 2.785 N/A VAL 113.A N THR 91.A O no hydrogen 2.999 N/A ARG 115.A NE ASP 229.A OD2 no hydrogen 2.889 N/A ARG 115.A NH2 GLY 194.A O no hydrogen 3.359 N/A ARG 115.A NH2 ASP 229.A OD2 no hydrogen 3.011 N/A ILE 119.A N ARG 115.A O no hydrogen 3.249 N/A SER 120.A N MET 116.A O no hydrogen 3.232 N/A SER 120.A N GLU 117.A O no hydrogen 3.037 N/A SER 120.A OG MET 116.A O no hydrogen 2.866 N/A SER 120.A OG GLU 117.A O no hydrogen 3.222 N/A ASP 121.A N GLU 117.A O no hydrogen 2.692 N/A GLU 124.A N ASP 121.A O no hydrogen 3.178 N/A ARG 126.A NH1 GLU 130.A OE2 no hydrogen 2.738 N/A PHE 127.A N CYS 123.A O no hydrogen 3.414 N/A SER 129.A N ARG 126.A O no hydrogen 3.185 N/A SER 129.A OG ARG 125.A O no hydrogen 3.276 N/A SER 129.A OG ARG 126.A O no hydrogen 3.000 N/A GLU 130.A N ARG 126.A O no hydrogen 3.197 N/A VAL 131.A N PHE 127.A O no hydrogen 3.275 N/A ASP 132.A N THR 53.A O no hydrogen 2.879 N/A TYR 133.A N THR 53.A O no hydrogen 3.364 N/A LEU 134.A N GLY 199.A O no hydrogen 2.802 N/A VAL 135.A N GLY 55.A O no hydrogen 2.887 N/A ALA 136.A N PHE 197.A O no hydrogen 2.924 N/A VAL 137.A N THR 57.A O no hydrogen 3.309 N/A MET 141.A N VAL 139.A O no hydrogen 2.751 N/A GLU 142.A N THR 269.A O no hydrogen 3.069 N/A PHE 143.A N THR 74.A OG1 no hydrogen 3.112 N/A ARG 144.A N ARG 267.A O no hydrogen 2.668 N/A ARG 144.A NE THR 269.A OG1 no hydrogen 3.130 N/A ASP 145.A N ARG 267.A O no hydrogen 3.272 N/A HIS 146.A N ASP 145.A OD1 no hydrogen 2.804 N/A HIS 146.A NE2 GLU 150.A OE2 no hydrogen 2.684 N/A VAL 147.A N HIS 78.A O no hydrogen 3.076 N/A GLY 148.A N GLU 150.A OE1 no hydrogen 3.023 N/A GLU 150.A N GLU 150.A OE2 no hydrogen 2.921 N/A ILE 151.A N GLY 148.A O no hydrogen 3.197 N/A LEU 152.A N VAL 149.A O no hydrogen 3.053 N/A THR 153.A OG1 THR 243.A OG1 no hydrogen 2.726 N/A LEU 155.A N THR 243.A OG1 no hydrogen 3.200 N/A PHE 156.A N GLY 198.A O no hydrogen 2.852 N/A THR 158.A OG1 PHE 196.A O no hydrogen 2.922 N/A LEU 159.A N LEU 246.A O no hydrogen 2.999 N/A HIS 160.A N TYR 191.A O no hydrogen 3.021 N/A SER 162.A N HIS 160.A ND1 no hydrogen 3.110 N/A PHE 163.A N HIS 160.A O no hydrogen 2.967 N/A SER 166.A N PHE 163.A O no hydrogen 3.064 N/A ARG 168.A NE GLY 188.A O no hydrogen 2.924 N/A ARG 168.A NH1 GLY 188.A O no hydrogen 3.002 N/A ALA 170.A N SER 167.A O no hydrogen 3.022 N/A PHE 171.A N ARG 168.A O no hydrogen 3.166 N/A THR 172.A OG1 TYR 191.A OH no hydrogen 3.322 N/A TYR 173.A OH PHE 190.A O no hydrogen 2.794 N/A ARG 175.A NH1 ILE 183.A O no hydrogen 2.819 N/A ARG 175.A NH2 ARG 168.A O no hydrogen 2.959 N/A ARG 175.A NH2 PHE 171.A O no hydrogen 3.099 N/A ARG 176.A N GLU 174.A OE2 no hydrogen 3.008 N/A ARG 176.A NE GLU 174.A OE2 no hydrogen 2.842 N/A ARG 176.A NH2 GLU 174.A OE1 no hydrogen 2.928 N/A ARG 176.A NH2 GLU 224.A O no hydrogen 2.821 N/A SER 179.A N ARG 176.A O no hydrogen 2.988 N/A SER 179.A OG ASP 218.A OD1 no hydrogen 3.435 N/A SER 179.A OG ASP 218.A OD2 no hydrogen 2.521 N/A GLN 180.A N ASP 218.A OD1 no hydrogen 2.857 N/A ALA 181.A N SER 179.A OG no hydrogen 3.077 N/A TYR 182.A N SER 179.A O no hydrogen 3.141 N/A ILE 183.A N GLU 174.A O no hydrogen 3.015 N/A LYS 185.A NZ GLU 169.A O no hydrogen 2.709 N/A GLU 187.A N PRO 184.A O no hydrogen 3.212 N/A TYR 191.A OH GLU 230.A OE2 no hydrogen 2.609 N/A TYR 192.A N ASN 234.A OD1 no hydrogen 2.895 N/A MET 193.A N THR 158.A O no hydrogen 2.985 N/A GLY 194.A N GLU 230.A OE1 no hydrogen 2.932 N/A PHE 197.A N ALA 136.A O no hydrogen 3.294 N/A GLY 198.A N PHE 156.A O no hydrogen 3.442 N/A GLY 199.A N LEU 134.A O no hydrogen 2.996 N/A SER 200.A N PRO 154.A O no hydrogen 2.917 N/A VAL 201.A N ASP 132.A O no hydrogen 3.335 N/A VAL 204.A N SER 200.A O no hydrogen 3.095 N/A GLN 205.A N VAL 201.A O no hydrogen 2.829 N/A GLN 205.A NE2 ILE 119.A O no hydrogen 2.632 N/A ARG 206.A N GLN 202.A O no hydrogen 3.129 N/A LEU 207.A N GLU 203.A O no hydrogen 2.999 N/A THR 208.A N VAL 204.A O no hydrogen 2.916 N/A THR 208.A OG1 VAL 204.A O no hydrogen 2.931 N/A THR 208.A OG1 GLN 205.A O no hydrogen 3.377 N/A ARG 209.A N GLN 205.A O no hydrogen 2.931 N/A ALA 210.A N ARG 206.A O no hydrogen 3.008 N/A CYS 211.A N LEU 207.A O no hydrogen 3.050 N/A CYS 211.A SG LEU 207.A O no hydrogen 3.349 N/A HIS 212.A N THR 208.A O no hydrogen 2.896 N/A GLN 213.A N ARG 209.A O no hydrogen 3.084 N/A ALA 214.A N ALA 210.A O no hydrogen 3.087 N/A MET 215.A N CYS 211.A O no hydrogen 2.951 N/A MET 216.A N HIS 212.A O no hydrogen 3.014 N/A VAL 217.A N GLN 213.A O no hydrogen 3.090 N/A ASP 218.A N ALA 214.A O no hydrogen 3.081 N/A GLN 219.A N MET 215.A O no hydrogen 2.979 N/A ALA 220.A N MET 216.A O no hydrogen 2.981 N/A ASN 221.A N VAL 217.A O no hydrogen 3.187 N/A GLY 222.A N GLN 219.A O no hydrogen 2.949 N/A ILE 223.A N ASP 218.A O no hydrogen 2.787 N/A VAL 226.A N GLU 174.A OE1 no hydrogen 2.702 N/A TRP 227.A N SER 231.A OG no hydrogen 2.937 N/A HIS 228.A N ALA 225.A O no hydrogen 2.918 N/A GLU 230.A N TRP 227.A O no hydrogen 3.190 N/A SER 231.A N HIS 228.A O no hydrogen 2.994 N/A LEU 233.A N ASP 229.A O no hydrogen 2.959 N/A ASN 234.A N GLU 230.A O no hydrogen 3.085 N/A ASN 234.A ND2 TYR 192.A O no hydrogen 2.899 N/A ASN 234.A ND2 GLU 230.A O no hydrogen 2.881 N/A LYS 235.A N SER 231.A O no hydrogen 3.194 N/A LYS 235.A NZ GLN 180.A O no hydrogen 2.723 N/A LYS 235.A NZ TYR 182.A O no hydrogen 2.862 N/A TYR 236.A N HIS 232.A O no hydrogen 3.001 N/A LEU 237.A N LEU 233.A O no hydrogen 2.981 N/A LEU 238.A N ASN 234.A O no hydrogen 3.052 N/A ARG 239.A N LYS 235.A O no hydrogen 3.253 N/A ARG 239.A NH1 GLU 187.A OE2 no hydrogen 3.090 N/A ARG 239.A NH2 GLU 187.A OE2 no hydrogen 2.621 N/A HIS 240.A N TYR 236.A O no hydrogen 2.738 N/A HIS 240.A ND1 TYR 236.A O no hydrogen 3.031 N/A LYS 241.A NZ ASP 189.A OD1 no hydrogen 3.553 N/A LYS 241.A NZ ASP 189.A OD2 no hydrogen 2.712 N/A LYS 241.A NZ LEU 238.A O no hydrogen 2.961 N/A THR 243.A N LEU 155.A O no hydrogen 2.766 N/A THR 243.A OG1 THR 153.A OG1 no hydrogen 2.726 N/A THR 243.A OG1 LEU 155.A O no hydrogen 3.055 N/A LYS 244.A N LEU 155.A O no hydrogen 3.420 N/A LYS 244.A NZ GLU 150.A O no hydrogen 2.830 N/A LYS 244.A NZ LEU 152.A O no hydrogen 2.677 N/A VAL 245.A N PRO 31.A O no hydrogen 2.981 N/A LEU 246.A N GLY 157.A O no hydrogen 2.914 N/A SER 247.A N VAL 33.A O no hydrogen 3.334 N/A SER 247.A OG VAL 33.A O no hydrogen 2.674 N/A TYR 250.A N SER 247.A O no hydrogen 3.024 N/A TYR 250.A OH GLU 150.A OE1 no hydrogen 2.540 N/A LEU 251.A N PRO 248.A O no hydrogen 3.166 N/A TRP 252.A N PHE 268.A O no hydrogen 2.965 N/A TRP 252.A NE1 GLY 258.A O no hydrogen 2.767 N/A LEU 256.A N ASP 253.A OD1 no hydrogen 3.088 N/A LEU 257.A N ASP 253.A O no hydrogen 2.967 N/A GLY 258.A N GLN 254.A O no hydrogen 2.821 N/A TRP 259.A NE1 LEU 263.A O no hydrogen 2.760 N/A LEU 263.A N PRO 260.A O no hydrogen 3.212 N/A LYS 265.A NZ ASP 145.A OD1 no hydrogen 3.121 N/A ARG 267.A N GLU 249.A O no hydrogen 2.866 N/A ARG 267.A NE GLU 249.A OE2 no hydrogen 2.786 N/A ARG 267.A NH1 HIS 146.A O no hydrogen 3.005 N/A ARG 267.A NH2 GLU 35.A OE2 no hydrogen 2.991 N/A ARG 267.A NH2 GLU 249.A OE2 no hydrogen 2.740 N/A THR 269.A N GLU 142.A O no hydrogen 3.126 N/A ALA 270.A N TRP 252.A O no hydrogen 2.937 N/A