Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pgj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N SER 30.A O no hydrogen 3.225 N/A TYR 4.A N ILE 32.A O no hydrogen 2.971 N/A ALA 5.A N GLY 57.A O no hydrogen 3.389 N/A VAL 6.A N THR 34.A O no hydrogen 2.967 N/A PHE 7.A N ASN 59.A O no hydrogen 2.929 N/A HIS 13.A N ILE 11.A O no hydrogen 2.713 N/A SER 16.A N SER 14.A OG no hydrogen 3.172 N/A ILE 19.A N LYS 15.A O no hydrogen 2.805 N/A HIS 20.A N SER 16.A O no hydrogen 2.810 N/A THR 21.A N PRO 17.A O no hydrogen 2.854 N/A THR 21.A OG1 PRO 17.A O no hydrogen 2.437 N/A LEU 22.A N PHE 18.A O no hydrogen 3.165 N/A PHE 23.A N ILE 19.A O no hydrogen 2.892 N/A ALA 24.A N HIS 20.A O no hydrogen 2.924 N/A ARG 25.A N THR 21.A O no hydrogen 3.122 N/A GLN 26.A N LEU 22.A O no hydrogen 2.960 N/A GLN 26.A NE2 GLY 258.A O no hydrogen 3.317 N/A THR 27.A N PHE 23.A O no hydrogen 2.881 N/A THR 27.A OG1 PHE 23.A O no hydrogen 2.684 N/A THR 27.A OG1 ALA 24.A O no hydrogen 3.478 N/A GLN 28.A N ARG 25.A O no hydrogen 3.138 N/A GLN 29.A N ALA 24.A O no hydrogen 2.969 N/A GLN 29.A NE2 THR 27.A O no hydrogen 3.141 N/A ILE 32.A N ASP 2.A O no hydrogen 2.883 N/A TYR 33.A OH ASN 59.A OD1 no hydrogen 2.796 N/A THR 34.A N TYR 4.A O no hydrogen 3.067 N/A GLN 36.A N VAL 6.A O no hydrogen 3.055 N/A VAL 38.A N GLY 8.A O no hydrogen 3.324 N/A GLY 42.A N PRO 39.A O no hydrogen 3.124 N/A THR 44.A N GLU 67.A OE1 no hydrogen 3.134 N/A THR 44.A OG1 GLU 67.A OE1 no hydrogen 2.834 N/A ALA 47.A N PHE 43.A O no hydrogen 2.767 N/A LYS 48.A N THR 44.A O no hydrogen 3.074 N/A HIS 49.A N GLU 45.A O no hydrogen 3.159 N/A PHE 50.A N ALA 46.A O no hydrogen 2.735 N/A PHE 51.A N ALA 47.A O no hydrogen 2.843 N/A ALA 52.A N LYS 48.A O no hydrogen 2.662 N/A GLN 53.A N HIS 49.A O no hydrogen 3.000 N/A GLY 55.A N PHE 50.A O no hydrogen 3.072 N/A ARG 56.A N GLN 3.A O no hydrogen 3.005 N/A ARG 56.A NH2 ASP 2.A OD2 no hydrogen 2.858 N/A CYS 58.A N LEU 88.A O no hydrogen 3.029 N/A ASN 59.A N ALA 5.A O no hydrogen 2.795 N/A ASN 59.A ND2 ASN 86.A O no hydrogen 3.002 N/A ASN 59.A ND2 SER 248.A OG no hydrogen 3.341 N/A VAL 60.A N ASN 86.A O no hydrogen 2.917 N/A THR 61.A N PHE 7.A O no hydrogen 2.980 N/A THR 61.A OG1 PHE 7.A O no hydrogen 2.869 N/A THR 61.A OG1 VAL 62.A O no hydrogen 3.424 N/A PHE 64.A N THR 61.A O no hydrogen 3.082 N/A LYS 65.A NZ ASP 102.A OD1 no hydrogen 2.496 N/A ALA 68.A N PHE 64.A O no hydrogen 2.969 N/A TYR 69.A N LYS 65.A O no hydrogen 3.067 N/A ARG 70.A N GLU 66.A O no hydrogen 3.295 N/A PHE 71.A N GLU 67.A O no hydrogen 3.079 N/A ALA 72.A N ALA 68.A O no hydrogen 3.096 N/A ASP 73.A N ILE 96.A O no hydrogen 2.829 N/A ARG 74.A N ILE 96.A O no hydrogen 3.302 N/A THR 76.A N GLY 98.A O no hydrogen 2.908 N/A THR 76.A OG1 ASP 99.A OD1 no hydrogen 2.523 N/A ARG 78.A NE ASP 99.A OD1 no hydrogen 2.787 N/A ARG 78.A NE ASP 99.A OD2 no hydrogen 3.242 N/A ARG 78.A NH2 ASP 99.A OD2 no hydrogen 2.646 N/A ALA 79.A N THR 76.A O no hydrogen 3.139 N/A ALA 79.A N THR 76.A OG1 no hydrogen 3.239 N/A ARG 80.A N THR 76.A O no hydrogen 3.123 N/A LEU 81.A N GLU 77.A O no hydrogen 3.060 N/A ALA 82.A N ARG 78.A O no hydrogen 2.970 N/A GLY 83.A N ALA 79.A O no hydrogen 2.888 N/A VAL 85.A N LYS 65.A O no hydrogen 3.116 N/A ASN 86.A N ASP 99.A O no hydrogen 3.233 N/A ASN 86.A ND2 THR 101.A OG1 no hydrogen 2.734 N/A THR 87.A N ASP 99.A O no hydrogen 3.137 N/A THR 87.A OG1 ASN 86.A OD1 no hydrogen 2.673 N/A THR 87.A OG1 SER 248.A OG no hydrogen 2.744 N/A LEU 88.A N CYS 58.A O no hydrogen 2.857 N/A LYS 89.A N LEU 97.A O no hydrogen 2.907 N/A LYS 89.A NZ LEU 251.A O no hydrogen 3.090 N/A LYS 90.A N ARG 56.A O no hydrogen 2.828 N/A LYS 90.A NZ PHE 51.A O no hydrogen 3.517 N/A LYS 90.A NZ GLY 55.A O no hydrogen 3.273 N/A LEU 91.A N GLU 95.A O no hydrogen 2.775 N/A GLY 94.A N LEU 91.A O no hydrogen 2.941 N/A GLU 95.A N ASP 93.A OD2 no hydrogen 3.085 N/A ILE 96.A N ASP 73.A OD2 no hydrogen 3.398 N/A LEU 97.A N LYS 89.A O no hydrogen 2.676 N/A GLY 98.A N ARG 74.A O no hydrogen 2.656 N/A ASP 99.A N THR 87.A O no hydrogen 2.830 N/A ASN 100.A ND2 ALA 84.A O no hydrogen 2.640 N/A THR 101.A N ASN 86.A OD1 no hydrogen 2.862 N/A THR 101.A OG1 GLN 244.A O no hydrogen 2.971 N/A THR 101.A OG1 GLN 244.A OE1 no hydrogen 3.254 N/A THR 101.A OG1 SER 248.A OG no hydrogen 3.052 N/A ASP 102.A N ASN 100.A OD1 no hydrogen 3.171 N/A GLY 105.A N THR 101.A O no hydrogen 2.978 N/A LEU 106.A N ASP 102.A O no hydrogen 3.097 N/A VAL 107.A N GLY 103.A O no hydrogen 2.993 N/A GLN 108.A N GLU 104.A O no hydrogen 2.904 N/A GLN 108.A NE2 GLU 104.A OE2 no hydrogen 2.631 N/A ASP 109.A N GLY 105.A O no hydrogen 3.073 N/A LEU 110.A N LEU 106.A O no hydrogen 2.980 N/A LEU 111.A N VAL 107.A O no hydrogen 2.886 N/A ALA 112.A N GLN 108.A O no hydrogen 2.819 N/A GLN 113.A N ASP 109.A O no hydrogen 3.045 N/A GLN 113.A N LEU 110.A O no hydrogen 3.003 N/A GLN 114.A N LEU 111.A O no hydrogen 3.189 N/A VAL 115.A N LEU 110.A O no hydrogen 3.187 N/A GLY 119.A N GLN 142.A O no hydrogen 2.766 N/A ALA 120.A N LEU 117.A O no hydrogen 3.063 N/A THR 121.A N ASP 182.A OD2 no hydrogen 3.096 N/A ILE 122.A N SER 145.A O no hydrogen 2.790 N/A LEU 123.A N VAL 183.A O no hydrogen 2.873 N/A LEU 124.A N THR 147.A O no hydrogen 2.913 N/A ILE 125.A N ILE 185.A O no hydrogen 2.745 N/A GLY 126.A N THR 149.A O no hydrogen 2.799 N/A ARG 132.A N GLY 128.A O no hydrogen 2.846 N/A ARG 132.A NE LEU 81.A O no hydrogen 2.883 N/A ARG 132.A NH1 LEU 81.A O no hydrogen 3.187 N/A GLY 133.A N GLY 129.A O no hydrogen 2.827 N/A VAL 134.A N ALA 131.A O no hydrogen 3.160 N/A LYS 136.A NZ ASP 140.A OD1 no hydrogen 2.464 N/A LYS 136.A NZ ASP 140.A OD2 no hydrogen 2.902 N/A LEU 138.A N VAL 134.A O no hydrogen 3.189 N/A LEU 139.A N LEU 135.A O no hydrogen 2.842 N/A ASP 140.A N LYS 136.A O no hydrogen 2.928 N/A GLN 141.A N LEU 138.A O no hydrogen 3.098 N/A GLN 142.A N LEU 139.A O no hydrogen 2.975 N/A ALA 144.A N ALA 120.A O no hydrogen 2.775 N/A SER 145.A N ALA 120.A O no hydrogen 3.362 N/A ILE 146.A N GLU 168.A O no hydrogen 3.060 N/A THR 147.A N ILE 122.A O no hydrogen 2.779 N/A VAL 148.A N LYS 170.A O no hydrogen 2.840 N/A THR 149.A N LEU 124.A O no hydrogen 2.978 N/A THR 149.A OG1 GLN 172.A O no hydrogen 2.657 N/A ASN 150.A ND2 THR 152.A O no hydrogen 2.945 N/A GLU 157.A N PHE 153.A O no hydrogen 3.120 N/A GLN 158.A N ALA 154.A O no hydrogen 2.760 N/A LEU 159.A N LYS 155.A O no hydrogen 3.053 N/A ALA 160.A N ALA 156.A O no hydrogen 2.930 N/A GLU 161.A N GLU 157.A O no hydrogen 2.942 N/A LEU 162.A N GLN 158.A O no hydrogen 3.227 N/A LEU 162.A N LEU 159.A O no hydrogen 3.269 N/A VAL 163.A N ALA 160.A O no hydrogen 3.195 N/A LYS 170.A N ILE 146.A O no hydrogen 3.031 N/A GLN 172.A N VAL 148.A O no hydrogen 3.149 N/A ALA 173.A N GLN 176.A OE1 no hydrogen 2.794 N/A GLN 176.A N ALA 173.A O no hydrogen 2.697 N/A LEU 177.A N PHE 174.A O no hydrogen 3.421 N/A LYS 178.A NZ ASP 200.A OD2 no hydrogen 3.492 N/A TYR 181.A N ILE 203.A O no hydrogen 3.120 N/A ASP 182.A N THR 121.A OG1 no hydrogen 3.200 N/A VAL 183.A N THR 121.A O no hydrogen 3.218 N/A ILE 184.A N VAL 209.A O no hydrogen 2.879 N/A ILE 185.A N LEU 123.A O no hydrogen 2.718 N/A ASN 186.A N TYR 211.A O no hydrogen 2.841 N/A ASN 186.A ND2 ASP 212.A OD1 no hydrogen 3.144 N/A SER 187.A N ILE 125.A O no hydrogen 2.927 N/A SER 187.A OG ILE 125.A O no hydrogen 2.572 N/A THR 188.A N ASN 186.A OD1 no hydrogen 3.178 N/A THR 188.A OG1 ASN 186.A OD1 no hydrogen 2.677 N/A SER 191.A OG ASP 212.A OD2 no hydrogen 3.137 N/A LEU 192.A N SER 189.A O no hydrogen 2.738 N/A ASP 193.A N SER 189.A O no hydrogen 3.313 N/A GLU 195.A N ALA 190.A O no hydrogen 2.684 N/A ILE 199.A N PRO 197.A O no hydrogen 2.556 N/A VAL 202.A N ASP 200.A OD1 no hydrogen 2.888 N/A ILE 203.A N ASP 200.A O no hydrogen 3.400 N/A PHE 204.A N PRO 201.A O no hydrogen 3.042 N/A SER 205.A N SER 208.A OG no hydrogen 3.129 N/A ARG 207.A NH1 SER 180.A OG no hydrogen 3.052 N/A ARG 207.A NH2 ASP 182.A OD1 no hydrogen 2.283 N/A SER 208.A N SER 205.A O no hydrogen 3.078 N/A SER 208.A OG TYR 181.A O no hydrogen 2.461 N/A VAL 209.A N ASP 182.A O no hydrogen 2.772 N/A CYS 210.A N.A GLN 233.A O no hydrogen 2.709 N/A CYS 210.A N.B GLN 233.A O no hydrogen 2.692 N/A CYS 210.A SG.B ASN 223.A OD1 no hydrogen 3.271 N/A TYR 211.A N ILE 184.A O no hydrogen 2.750 N/A TYR 211.A OH ASP 109.A OD2 no hydrogen 2.551 N/A ASP 212.A N ILE 235.A O no hydrogen 2.858 N/A MET 213.A N ASN 186.A O no hydrogen 3.038 N/A MET 214.A N ASP 212.A OD1 no hydrogen 3.230 N/A GLY 218.A N GLU 271.A OE2 no hydrogen 2.988 N/A THR 220.A OG1 ASP 212.A OD2 no hydrogen 2.417 N/A ASN 223.A N THR 220.A OG1 no hydrogen 3.210 N/A GLN 224.A N THR 220.A O no hydrogen 2.937 N/A GLN 224.A NE2 TYR 219.A O no hydrogen 2.799 N/A TRP 225.A N VAL 221.A O no hydrogen 2.925 N/A ALA 226.A N PHE 222.A O no hydrogen 2.963 N/A ARG 227.A N ASN 223.A O no hydrogen 2.860 N/A GLN 228.A N GLN 224.A O no hydrogen 2.950 N/A HIS 229.A N ALA 226.A O no hydrogen 3.058 N/A HIS 229.A ND1 TRP 225.A O no hydrogen 2.993 N/A GLY 230.A N ARG 227.A O no hydrogen 3.069 N/A CYS 231.A N ALA 226.A O no hydrogen 3.290 N/A ALA 232.A N SER 208.A O no hydrogen 2.792 N/A GLN 233.A N SER 208.A O no hydrogen 3.414 N/A GLN 233.A NE2 GLN 113.A O no hydrogen 3.129 N/A GLN 233.A NE2 GLN 113.A OE1 no hydrogen 3.669 N/A ILE 235.A N CYS 210.A O.A no hydrogen 2.764 N/A ILE 235.A N CYS 210.A O.B no hydrogen 2.741 N/A GLY 237.A N MET 214.A O no hydrogen 3.070 N/A LEU 238.A N ASP 236.A OD1 no hydrogen 3.239 N/A LEU 241.A N GLY 237.A O no hydrogen 3.205 N/A VAL 242.A N LEU 238.A O no hydrogen 3.184 N/A GLY 243.A N GLY 239.A O no hydrogen 2.705 N/A GLN 244.A N MET 240.A O no hydrogen 2.811 N/A GLN 244.A NE2 LEU 241.A O no hydrogen 3.071 N/A ALA 245.A N LEU 241.A O no hydrogen 3.214 N/A ALA 246.A N VAL 242.A O no hydrogen 2.868 N/A GLU 247.A N GLY 243.A O no hydrogen 3.134 N/A SER 248.A N GLN 244.A O no hydrogen 3.173 N/A SER 248.A OG THR 87.A OG1 no hydrogen 2.744 N/A SER 248.A OG THR 101.A OG1 no hydrogen 3.052 N/A SER 248.A OG GLN 244.A O no hydrogen 3.049 N/A PHE 249.A N ALA 245.A O no hydrogen 2.875 N/A MET 250.A N ALA 246.A O no hydrogen 2.957 N/A LEU 251.A N GLU 247.A O no hydrogen 2.926 N/A TRP 252.A N SER 248.A O no hydrogen 2.930 N/A TRP 252.A NE1 LEU 88.A O no hydrogen 2.783 N/A ARG 253.A N PHE 249.A O no hydrogen 2.695 N/A ARG 253.A NE GLN 29.A OE1 no hydrogen 3.034 N/A ARG 253.A NH1 ASP 2.A OD2 no hydrogen 2.706 N/A ARG 253.A NH1 TYR 4.A OH no hydrogen 2.925 N/A ARG 253.A NH2 GLN 29.A OE1 no hydrogen 2.791 N/A GLY 254.A N MET 250.A O no hydrogen 2.595 N/A ARG 256.A NH1 GLU 247.A OE1 no hydrogen 2.942 N/A LEU 263.A N THR 259.A O no hydrogen 2.857 N/A ARG 264.A N LYS 260.A O no hydrogen 2.911 N/A GLU 265.A N GLN 261.A O no hydrogen 3.008 N/A LEU 266.A N ILE 262.A O no hydrogen 3.039 N/A ARG 267.A N LEU 263.A O no hydrogen 3.125 N/A ARG 267.A NH1 ASP 236.A OD1 no hydrogen 3.289 N/A ARG 267.A NH2 ASP 236.A OD1 no hydrogen 3.434 N/A ARG 267.A NH2 ASP 236.A OD2 no hydrogen 2.619 N/A LYS 268.A N ARG 264.A O no hydrogen 3.121 N/A ASN 269.A N GLU 265.A O no hydrogen 3.069 N/A LEU 270.A N LEU 266.A O no hydrogen 2.902 N/A GLU 271.A N ARG 267.A O no hydrogen 2.880 N/A