Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gmr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N CYS 98.A O no hydrogen 2.876 N/A ARG 5.A N TRP 25.A O no hydrogen 2.859 N/A CYS 6.A N ALA 96.A O no hydrogen 2.702 N/A LEU 7.A N VAL 23.A O.A no hydrogen 2.759 N/A LEU 7.A N VAL 23.A O.B no hydrogen 2.865 N/A GLN 8.A N LEU 94.A O no hydrogen 2.995 N/A GLN 8.A NE2 SER 10.A OG no hydrogen 2.916 N/A MET 9.A N ASP 21.A O no hydrogen 2.776 N/A SER 10.A N ILE 92.A O no hydrogen 2.830 N/A SER 10.A OG THR 20.A OG1 no hydrogen 2.731 N/A SER 11.A N ARG 19.A O no hydrogen 2.911 N/A SER 11.A OG GLU 91.A OE1.A no hydrogen 2.720 N/A SER 11.A OG GLU 91.A OE1.B no hydrogen 2.468 N/A SER 11.A OG GLU 91.A OE2.B no hydrogen 3.473 N/A PHE 12.A N ILE 90.A O no hydrogen 2.791 N/A ALA 13.A N TRP 17.A O no hydrogen 2.946 N/A ASN 14.A N TRP 17.A O no hydrogen 3.477 N/A SER 16.A N ASN 14.A OD1 no hydrogen 2.745 N/A ARG 19.A N SER 11.A O no hydrogen 2.899 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.680 N/A ARG 19.A NH2 ASP 21.A OD1 no hydrogen 3.405 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 2.764 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.900 N/A THR 20.A OG1 SER 10.A OG no hydrogen 2.731 N/A ASP 21.A N MET 9.A O no hydrogen 2.949 N/A SER 22.A N TRP 34.A O no hydrogen 3.002 N/A VAL 23.A N.A LEU 7.A O no hydrogen 2.867 N/A VAL 23.A N.B LEU 7.A O no hydrogen 2.886 N/A VAL 24.A N HIS 32.A O no hydrogen 2.962 N/A TRP 25.A N ARG 5.A O no hydrogen 2.878 N/A LEU 26.A N LEU 29.A O no hydrogen 2.970 N/A GLY 27.A N THR 3.A O no hydrogen 2.836 N/A LEU 29.A N LEU 26.A O no hydrogen 3.000 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.234 N/A THR 31.A N VAL 24.A O no hydrogen 2.847 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.344 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.808 N/A HIS 32.A N VAL 24.A O no hydrogen 3.460 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.808 N/A ARG 33.A N SER 42.A O no hydrogen 3.090 N/A TRP 34.A N SER 22.A O no hydrogen 2.844 N/A TRP 34.A NE1 SER 38.A O no hydrogen 2.909 N/A ASN 36.A N ASP 21.A OD2 no hydrogen 2.806 N/A ASP 37.A N SER 35.A OG no hydrogen 3.297 N/A SER 38.A N SER 35.A O no hydrogen 3.121 N/A SER 38.A OG THR 40.A O no hydrogen 2.519 N/A THR 40.A N SER 38.A OG no hydrogen 3.256 N/A ILE 41.A N GLN 61.A OE1 no hydrogen 2.902 N/A SER 42.A N ARG 33.A O no hydrogen 2.812 N/A THR 44.A N THR 31.A O no hydrogen 2.968 N/A THR 44.A OG1 GLN 30.A O no hydrogen 2.832 N/A LYS 45.A N SER 48.A OG no hydrogen 2.970 N/A LYS 45.A NZ GLN 30.A O no hydrogen 2.770 N/A LYS 45.A NZ THR 44.A O no hydrogen 3.563 N/A LYS 45.A NZ GLU 237.A OE1 no hydrogen 2.542 N/A LYS 45.A NZ GLU 237.A OE2 no hydrogen 3.381 N/A TRP 47.A NE1 ASP 176.A OD2 no hydrogen 2.779 N/A SER 48.A N LYS 45.A O no hydrogen 3.466 N/A SER 48.A OG THR 31.A O no hydrogen 2.631 N/A SER 48.A OG LYS 45.A O no hydrogen 3.253 N/A GLN 49.A NE2 LEU 52.A O no hydrogen 2.955 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 3.036 N/A GLY 50.A N TRP 47.A O no hydrogen 2.963 N/A LEU 52.A N GLN 49.A O no hydrogen 3.122 N/A SER 53.A N GLN 56.A OE1 no hydrogen 3.154 N/A GLN 56.A N SER 53.A OG no hydrogen 2.919 N/A TRP 57.A N SER 53.A O no hydrogen 2.846 N/A GLU 58.A N ASN 54.A O no hydrogen 2.814 N/A LYS 59.A N GLN 55.A O no hydrogen 3.019 N/A LEU 60.A N GLN 56.A O no hydrogen 3.125 N/A GLN 61.A N TRP 57.A O no hydrogen 2.816 N/A HIS 62.A N GLU 58.A O no hydrogen 2.804 N/A MET 63.A N LYS 59.A O no hydrogen 3.095 N/A PHE 64.A N LEU 60.A O no hydrogen 3.124 N/A GLN 65.A N GLN 61.A O no hydrogen 2.856 N/A GLN 65.A NE2 ALA 39.A O no hydrogen 2.962 N/A VAL 66.A N HIS 62.A O no hydrogen 3.060 N/A TYR 67.A N MET 63.A O no hydrogen 3.048 N/A TYR 67.A OH GLN 8.A OE1 no hydrogen 2.550 N/A ARG 68.A N PHE 64.A O no hydrogen 2.843 N/A ARG 68.A NH1 SER 35.A O no hydrogen 3.017 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.259 N/A ARG 68.A NH2 SER 38.A O no hydrogen 3.088 N/A VAL 69.A N GLN 65.A O no hydrogen 3.430 N/A SER 70.A N VAL 66.A O no hydrogen 2.941 N/A SER 70.A OG VAL 66.A O no hydrogen 2.885 N/A PHE 71.A N TYR 67.A O no hydrogen 2.739 N/A THR 72.A N ARG 68.A O no hydrogen 3.241 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.947 N/A ARG 73.A N VAL 69.A O no hydrogen 3.036 N/A ASP 74.A N SER 70.A O no hydrogen 2.700 N/A ILE 75.A N PHE 71.A O no hydrogen 2.982 N/A GLN 76.A N THR 72.A O no hydrogen 3.039 N/A GLN 76.A NE2 ASN 14.A O no hydrogen 3.004 N/A GLU 77.A N ARG 73.A O no hydrogen 3.042 N/A LEU 78.A N ASP 74.A O no hydrogen 2.894 N/A VAL 79.A N ILE 75.A O no hydrogen 2.834 N/A LYS 80.A N GLN 76.A O no hydrogen 2.974 N/A MET 81.A N GLU 77.A O no hydrogen 2.916 N/A MET 82.A N LEU 78.A O no hydrogen 3.375 N/A GLU 86.A N MET 82.A O no hydrogen 3.242 N/A TYR 88.A OH GLN 76.A OE1 no hydrogen 2.375 N/A ILE 90.A N PHE 12.A O no hydrogen 2.892 N/A GLU 91.A N.A GLN 115.A OE1 no hydrogen 2.811 N/A GLU 91.A N.B GLN 115.A OE1 no hydrogen 2.828 N/A ILE 92.A N SER 10.A O no hydrogen 2.950 N/A GLN 93.A N ALA 113.A O no hydrogen 3.011 N/A LEU 94.A N GLN 8.A O no hydrogen 2.971 N/A SER 95.A N HIS 111.A O no hydrogen 2.867 N/A ALA 96.A N CYS 6.A O no hydrogen 3.090 N/A GLY 97.A N PHE 109.A O no hydrogen 3.032 N/A CYS 98.A N PHE 4.A O no hydrogen 3.065 N/A GLU 99.A N GLU 107.A O no hydrogen 2.851 N/A MET 100.A N TYR 2.A O no hydrogen 2.984 N/A TYR 101.A N ALA 105.A O no hydrogen 2.852 N/A TYR 101.A OH GLU 107.A OE1 no hydrogen 2.897 N/A GLU 107.A N GLU 99.A O no hydrogen 2.887 N/A SER 108.A OG LEU 158.A O no hydrogen 2.614 N/A PHE 109.A N GLY 97.A O no hydrogen 2.998 N/A HIS 111.A N SER 95.A O no hydrogen 2.799 N/A VAL 112.A N VAL 120.A O no hydrogen 2.830 N/A ALA 113.A N GLN 93.A O no hydrogen 2.816 N/A PHE 114.A N LYS 117.A O no hydrogen 2.772 N/A GLN 115.A N GLU 91.A O.A no hydrogen 2.814 N/A GLN 115.A N GLU 91.A O.B no hydrogen 2.757 N/A GLN 115.A NE2 PRO 89.A O no hydrogen 2.917 N/A LYS 117.A N PHE 114.A O no hydrogen 3.183 N/A VAL 119.A N VAL 112.A O no hydrogen 2.920 N/A VAL 120.A N VAL 112.A O no hydrogen 3.354 N/A ARG 121.A N GLN 128.A O no hydrogen 2.910 N/A ARG 121.A NE GLN 128.A OE1 no hydrogen 3.471 N/A ARG 121.A NH2 GLN 128.A OE1 no hydrogen 3.472 N/A PHE 122.A N LEU 110.A O no hydrogen 2.958 N/A TRP 123.A N SER 126.A O no hydrogen 2.783 N/A SER 126.A N TRP 123.A O no hydrogen 3.453 N/A TRP 127.A N ASN 145.A OD1 no hydrogen 2.842 N/A GLN 128.A N ARG 121.A O no hydrogen 2.872 N/A VAL 130.A N VAL 119.A O no hydrogen 2.802 N/A ALA 133.A N VAL 130.A O no hydrogen 2.985 N/A LEU 137.A N PRO 134.A O no hydrogen 3.152 N/A ASP 138.A N SER 135.A O no hydrogen 2.998 N/A ILE 141.A N LEU 137.A O no hydrogen 3.073 N/A LYS 142.A N ASP 138.A O no hydrogen 2.935 N/A VAL 143.A N LEU 139.A O no hydrogen 3.062 N/A LEU 144.A N PRO 140.A O no hydrogen 2.952 N/A ASN 145.A N ILE 141.A O no hydrogen 2.836 N/A ASN 145.A ND2 TRP 127.A O no hydrogen 2.940 N/A ALA 146.A N LYS 142.A O no hydrogen 2.941 N/A ALA 146.A N VAL 143.A O no hydrogen 3.157 N/A ASP 147.A N LEU 144.A O no hydrogen 2.977 N/A GLN 148.A N ALA 146.A O no hydrogen 3.111 N/A THR 150.A N ASP 147.A OD1 no hydrogen 3.080 N/A THR 150.A OG1 ASP 147.A OD2 no hydrogen 2.577 N/A SER 151.A N ASP 147.A O no hydrogen 3.105 N/A SER 151.A OG.A THR 125.A O no hydrogen 2.746 N/A ALA 152.A N GLN 148.A O no hydrogen 2.861 N/A THR 153.A N GLY 149.A O no hydrogen 3.032 N/A THR 153.A OG1 GLY 149.A O no hydrogen 3.120 N/A VAL 154.A N THR 150.A O no hydrogen 2.937 N/A GLN 155.A N SER 151.A O no hydrogen 2.961 N/A GLN 155.A NE2 SER 151.A O no hydrogen 3.435 N/A GLN 155.A NE2 SER 151.A OG.A no hydrogen 3.038 N/A MET 156.A N ALA 152.A O no hydrogen 3.002 N/A LEU 157.A N THR 153.A O no hydrogen 2.861 N/A LEU 158.A N VAL 154.A O no hydrogen 2.830 N/A ASN 159.A N GLN 155.A O no hydrogen 2.808 N/A ASP 160.A N MET 156.A O no hydrogen 2.981 N/A THR 161.A N MET 156.A O no hydrogen 3.034 N/A THR 161.A OG1 MET 156.A O no hydrogen 3.333 N/A CYS 162.A N LEU 157.A O no hydrogen 2.939 N/A LEU 164.A N ASP 160.A O no hydrogen 3.257 N/A PHE 165.A N THR 161.A O no hydrogen 2.796 N/A VAL 166.A N CYS 162.A O no hydrogen 2.941 N/A ARG 167.A N PRO 163.A O no hydrogen 2.941 N/A GLY 168.A N LEU 164.A O no hydrogen 3.333 N/A LEU 169.A N PHE 165.A O no hydrogen 2.963 N/A LEU 170.A N VAL 166.A O no hydrogen 2.853 N/A GLU 171.A N ARG 167.A O no hydrogen 3.265 N/A ALA 172.A N GLY 168.A O no hydrogen 2.872 N/A GLY 173.A N LEU 169.A O no hydrogen 2.873 N/A LYS 174.A NZ GLU 178.A OE2 no hydrogen 2.886 N/A LEU 177.A N GLY 173.A O no hydrogen 2.924 N/A GLU 178.A N LYS 174.A O no hydrogen 3.038 N/A LYS 179.A N ASP 176.A O no hydrogen 3.130 N/A LYS 179.A NZ GLU 237.A O no hydrogen 2.818 N/A GLU 181.A N TYR 208.A O no hydrogen 2.678 N/A VAL 184.A N SER 205.A O no hydrogen 3.004 N/A TRP 186.A N HIS 203.A O no hydrogen 2.889 N/A SER 188.A N VAL 201.A O no hydrogen 2.933 N/A SER 188.A OG HIS 203.A NE2 no hydrogen 2.596 N/A VAL 190.A N GLN 199.A O no hydrogen 2.913 N/A SER 192.A N HIS 197.A O no hydrogen 2.919 N/A SER 192.A OG ASP 246.A OD2.B no hydrogen 2.663 N/A HIS 197.A N ALA 194.A O no hydrogen 2.990 N/A ARG 198.A N.A VAL 247.A O no hydrogen 2.860 N/A ARG 198.A N.B VAL 247.A O no hydrogen 2.865 N/A ARG 198.A NH1.A GLU 252.A OE2 no hydrogen 3.007 N/A GLN 199.A N VAL 190.A O no hydrogen 2.860 N/A LEU 200.A N LEU 245.A O no hydrogen 2.850 N/A VAL 201.A N SER 188.A O no hydrogen 2.765 N/A CYS 202.A N ALA 243.A O no hydrogen 2.890 N/A HIS 203.A N TRP 186.A O no hydrogen 2.801 N/A HIS 203.A ND1 TYR 240.A OH no hydrogen 2.891 N/A HIS 203.A NE2 SER 188.A OG no hydrogen 2.596 N/A VAL 204.A N LEU 241.A O no hydrogen 2.828 N/A SER 205.A N VAL 184.A O no hydrogen 2.911 N/A GLY 206.A N TRP 239.A O no hydrogen 2.738 N/A TYR 208.A N GLU 181.A O no hydrogen 3.044 N/A TYR 208.A OH ASP 28.A OD1 no hydrogen 2.423 N/A TRP 213.A N LYS 260.A O no hydrogen 2.897 N/A MET 215.A N ARG 258.A O no hydrogen 3.018 N/A TRP 216.A N THR 226.A OG1 no hydrogen 3.058 N/A TRP 216.A NE1 ALA 243.A O no hydrogen 3.039 N/A MET 217.A N ALA 256.A O no hydrogen 2.811 N/A ARG 218.A N GLN 221.A O no hydrogen 2.891 N/A ARG 218.A NE GLN 223.A OE1 no hydrogen 3.325 N/A ARG 218.A NH1 GLU 251.A O no hydrogen 3.277 N/A ARG 218.A NH1 ALA 253.A O no hydrogen 3.241 N/A ARG 218.A NH2 GLU 251.A O no hydrogen 2.393 N/A GLN 221.A N ARG 218.A O no hydrogen 2.886 N/A GLN 223.A N TRP 216.A O no hydrogen 2.851 N/A GLN 223.A NE2 GLN 221.A O no hydrogen 2.863 N/A GLN 223.A NE2 GLN 221.A OE1 no hydrogen 2.976 N/A THR 226.A N GLN 223.A O no hydrogen 2.844 N/A THR 226.A OG1 GLN 223.A O no hydrogen 2.606 N/A HIS 227.A N THR 244.A O no hydrogen 2.837 N/A ARG 228.A NE.A GLY 229.A O no hydrogen 2.790 N/A ARG 228.A NH1.A GLY 229.A O no hydrogen 3.316 N/A ARG 228.A NH1.B VAL 212.A O no hydrogen 2.714 N/A GLY 229.A N GLN 242.A O no hydrogen 2.706 N/A LEU 232.A N TYR 240.A O no hydrogen 2.829 N/A ASN 234.A N THR 238.A O no hydrogen 2.890 N/A ASN 234.A ND2 SER 205.A OG no hydrogen 3.003 N/A ASN 234.A ND2 THR 238.A OG1 no hydrogen 3.079 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.662 N/A TRP 239.A N PHE 207.A O no hydrogen 2.910 N/A TRP 239.A NE1 ASP 28.A OD2 no hydrogen 2.951 N/A TYR 240.A N LEU 232.A O no hydrogen 2.904 N/A TYR 240.A OH GLN 242.A OE1 no hydrogen 2.750 N/A LEU 241.A N VAL 204.A O no hydrogen 2.917 N/A ALA 243.A N CYS 202.A O no hydrogen 2.927 N/A THR 244.A N HIS 227.A O no hydrogen 2.900 N/A LEU 245.A N LEU 200.A O no hydrogen 2.863 N/A VAL 247.A N ARG 198.A O.A no hydrogen 2.749 N/A VAL 247.A N ARG 198.A O.B no hydrogen 2.777 N/A GLU 248.A N GLU 251.A OE1 no hydrogen 2.961 N/A ALA 249.A N GLY 196.A O no hydrogen 2.852 N/A GLU 251.A N GLU 248.A O no hydrogen 2.864 N/A LEU 255.A N GLU 252.A O no hydrogen 3.372 N/A ALA 256.A N MET 217.A O no hydrogen 2.994 N/A CYS 257.A N LEU 271.A O no hydrogen 2.770 N/A CYS 257.A SG MET 215.A O no hydrogen 4.010 N/A ARG 258.A N MET 215.A O no hydrogen 2.852 N/A ARG 258.A NE ASP 268.A OD2 no hydrogen 2.715 N/A ARG 258.A NH2 ASP 268.A OD2 no hydrogen 2.916 N/A VAL 259.A N ILE 269.A O no hydrogen 2.972 N/A LYS 260.A N TRP 213.A O no hydrogen 2.869 N/A LYS 260.A NZ ASP 268.A OD2 no hydrogen 2.937 N/A HIS 261.A ND1 SER 263.A OG no hydrogen 2.753 N/A HIS 261.A NE2 PRO 209.A O no hydrogen 2.793 N/A SER 262.A OG GLN 180.A OE1 no hydrogen 2.651 N/A SER 263.A N HIS 261.A ND1 no hydrogen 2.955 N/A SER 263.A OG GLU 181.A O no hydrogen 3.439 N/A SER 263.A OG HIS 261.A ND1 no hydrogen 2.753 N/A LEU 264.A N HIS 261.A O no hydrogen 3.082 N/A GLN 267.A N LEU 264.A O no hydrogen 3.203 N/A ILE 269.A N VAL 259.A O no hydrogen 3.030 N/A LEU 271.A N CYS 257.A O no hydrogen 2.915 N/A TRP 273.A N LEU 255.A O no hydrogen 2.958 N/A TRP 273.A NE1 GLU 252.A OE2 no hydrogen 2.617 N/A