Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gmq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 GLU 99.A OE2 no hydrogen 2.848 N/A TYR 2.A N MET 100.A O no hydrogen 3.264 N/A PHE 4.A N CYS 98.A O no hydrogen 2.846 N/A ARG 5.A N.A TRP 25.A O no hydrogen 2.974 N/A ARG 5.A N.B TRP 25.A O no hydrogen 2.928 N/A ARG 5.A NH2.B GLY 27.A O no hydrogen 3.514 N/A CYS 6.A N ALA 96.A O no hydrogen 2.646 N/A LEU 7.A N VAL 23.A O no hydrogen 2.748 N/A GLN 8.A N LEU 94.A O no hydrogen 2.797 N/A GLN 8.A NE2 SER 10.A OG no hydrogen 3.086 N/A MET 9.A N ASP 21.A O no hydrogen 2.765 N/A SER 10.A N ILE 92.A O no hydrogen 2.789 N/A SER 10.A OG THR 20.A OG1 no hydrogen 2.750 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 2.373 N/A SER 11.A OG GLU 91.A OE1.B no hydrogen 2.409 N/A SER 11.A OG GLU 91.A OE2.A no hydrogen 3.189 N/A PHE 12.A N ILE 90.A O no hydrogen 2.865 N/A ALA 13.A N TRP 17.A O no hydrogen 3.107 N/A ARG 15.A NH2 SER 83.A OG no hydrogen 3.118 N/A SER 16.A N ASN 14.A OD1 no hydrogen 2.640 N/A TRP 17.A N ASN 14.A O no hydrogen 3.217 N/A ARG 19.A N SER 11.A O no hydrogen 2.983 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.655 N/A ARG 19.A NH2 ASP 21.A OD1 no hydrogen 3.401 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 2.755 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.913 N/A THR 20.A OG1 SER 10.A OG no hydrogen 2.750 N/A ASP 21.A N MET 9.A O no hydrogen 2.934 N/A SER 22.A N.A TRP 34.A O no hydrogen 2.852 N/A SER 22.A N.B TRP 34.A O no hydrogen 2.838 N/A VAL 23.A N LEU 7.A O no hydrogen 2.958 N/A VAL 24.A N HIS 32.A O no hydrogen 2.983 N/A TRP 25.A N ARG 5.A O.A no hydrogen 2.963 N/A TRP 25.A N ARG 5.A O.B no hydrogen 2.839 N/A LEU 26.A N LEU 29.A O no hydrogen 2.846 N/A GLY 27.A N THR 3.A O no hydrogen 2.830 N/A LEU 29.A N LEU 26.A O no hydrogen 3.087 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.047 N/A THR 31.A N VAL 24.A O no hydrogen 2.825 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.372 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.691 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.691 N/A HIS 32.A NE2 SER 48.A O no hydrogen 2.775 N/A ARG 33.A N SER 42.A O no hydrogen 3.083 N/A TRP 34.A N SER 22.A O.A no hydrogen 2.814 N/A TRP 34.A N SER 22.A O.B no hydrogen 2.790 N/A TRP 34.A NE1 SER 38.A O no hydrogen 2.988 N/A ASN 36.A N ASP 21.A OD2 no hydrogen 2.816 N/A ASN 36.A ND2 ASP 37.A OD2 no hydrogen 3.456 N/A ASP 37.A N SER 35.A OG no hydrogen 2.912 N/A SER 38.A N SER 35.A O no hydrogen 3.050 N/A SER 38.A OG THR 40.A O no hydrogen 2.687 N/A THR 40.A N SER 38.A OG no hydrogen 3.272 N/A ILE 41.A N GLN 61.A OE1 no hydrogen 2.891 N/A SER 42.A N ARG 33.A O no hydrogen 2.801 N/A THR 44.A N THR 31.A O no hydrogen 2.932 N/A THR 44.A OG1 GLN 30.A O no hydrogen 2.789 N/A LYS 45.A N SER 48.A OG no hydrogen 3.007 N/A LYS 45.A NZ GLN 30.A O no hydrogen 2.856 N/A LYS 45.A NZ THR 44.A O no hydrogen 3.496 N/A LYS 45.A NZ GLU 229.A OE1 no hydrogen 2.582 N/A LYS 45.A NZ GLU 229.A OE2 no hydrogen 3.492 N/A TRP 47.A NE1 ASP 176.A OD2 no hydrogen 2.851 N/A SER 48.A N LYS 45.A O no hydrogen 3.307 N/A SER 48.A OG THR 31.A O no hydrogen 2.495 N/A SER 48.A OG LYS 45.A O no hydrogen 3.055 N/A GLN 49.A NE2 LEU 52.A O no hydrogen 2.907 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 3.051 N/A GLY 50.A N TRP 47.A O no hydrogen 2.926 N/A LYS 51.A NZ GLU 171.A OE1 no hydrogen 2.739 N/A LYS 51.A NZ GLU 171.A OE2 no hydrogen 3.381 N/A LEU 52.A N GLN 49.A O no hydrogen 3.169 N/A GLN 56.A N.A SER 53.A OG no hydrogen 3.060 N/A GLN 56.A N.B SER 53.A OG no hydrogen 3.031 N/A TRP 57.A N SER 53.A O no hydrogen 2.694 N/A GLU 58.A N ASN 54.A O no hydrogen 3.017 N/A LYS 59.A N GLN 55.A O no hydrogen 3.061 N/A LYS 59.A NZ GLN 55.A OE1 no hydrogen 3.315 N/A LYS 59.A NZ GLN 56.A OE1.A no hydrogen 2.473 N/A LEU 60.A N GLN 56.A O.A no hydrogen 2.781 N/A LEU 60.A N GLN 56.A O.B no hydrogen 2.873 N/A GLN 61.A N TRP 57.A O no hydrogen 2.684 N/A HIS 62.A N GLU 58.A O no hydrogen 2.812 N/A MET 63.A N LYS 59.A O no hydrogen 3.094 N/A PHE 64.A N LEU 60.A O no hydrogen 3.226 N/A GLN 65.A N GLN 61.A O no hydrogen 2.885 N/A GLN 65.A NE2 ALA 39.A O no hydrogen 2.861 N/A VAL 66.A N HIS 62.A O no hydrogen 2.870 N/A TYR 67.A N MET 63.A O no hydrogen 2.650 N/A TYR 67.A OH GLN 8.A OE1 no hydrogen 2.694 N/A ARG 68.A N PHE 64.A O no hydrogen 2.777 N/A ARG 68.A NH1 SER 35.A O no hydrogen 2.907 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.394 N/A ARG 68.A NH2 SER 38.A O no hydrogen 2.770 N/A VAL 69.A N GLN 65.A O no hydrogen 3.343 N/A SER 70.A N VAL 66.A O no hydrogen 3.033 N/A SER 70.A OG VAL 66.A O no hydrogen 3.009 N/A PHE 71.A N TYR 67.A O no hydrogen 2.708 N/A THR 72.A N ARG 68.A O no hydrogen 3.249 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.821 N/A ARG 73.A N VAL 69.A O no hydrogen 2.987 N/A ARG 73.A NH1 ASP 74.A OD1 no hydrogen 2.079 N/A ASP 74.A N SER 70.A O no hydrogen 2.808 N/A ILE 75.A N PHE 71.A O no hydrogen 2.980 N/A GLN 76.A N THR 72.A O no hydrogen 3.052 N/A GLU 77.A N ARG 73.A O no hydrogen 2.851 N/A LEU 78.A N ASP 74.A O no hydrogen 2.908 N/A VAL 79.A N ILE 75.A O no hydrogen 2.857 N/A LYS 80.A N GLN 76.A O no hydrogen 2.986 N/A MET 81.A N GLU 77.A O no hydrogen 3.004 N/A MET 81.A N LEU 78.A O no hydrogen 3.197 N/A MET 82.A N LEU 78.A O no hydrogen 3.131 N/A SER 83.A N LYS 80.A O no hydrogen 3.394 N/A LYS 85.A N MET 82.A O no hydrogen 2.879 N/A ILE 90.A N PHE 12.A O no hydrogen 2.737 N/A GLU 91.A N.A GLN 115.A OE1 no hydrogen 2.814 N/A GLU 91.A N.B GLN 115.A OE1 no hydrogen 2.794 N/A ILE 92.A N SER 10.A O no hydrogen 2.895 N/A GLN 93.A N ALA 113.A O no hydrogen 3.032 N/A LEU 94.A N GLN 8.A O no hydrogen 2.965 N/A SER 95.A N HIS 111.A O no hydrogen 2.956 N/A ALA 96.A N CYS 6.A O no hydrogen 3.036 N/A GLY 97.A N PHE 109.A O no hydrogen 3.029 N/A CYS 98.A N PHE 4.A O no hydrogen 3.058 N/A GLU 99.A N GLU 107.A O no hydrogen 2.788 N/A MET 100.A N TYR 2.A O no hydrogen 2.837 N/A TYR 101.A N ALA 105.A O no hydrogen 2.683 N/A ALA 105.A N PRO 102.A O no hydrogen 3.458 N/A GLU 107.A N GLU 99.A O no hydrogen 3.170 N/A SER 108.A OG LEU 158.A O no hydrogen 2.453 N/A PHE 109.A N GLY 97.A O no hydrogen 2.963 N/A HIS 111.A N SER 95.A O no hydrogen 2.818 N/A VAL 112.A N VAL 120.A O no hydrogen 2.811 N/A ALA 113.A N GLN 93.A O no hydrogen 2.845 N/A PHE 114.A N LYS 117.A O no hydrogen 2.748 N/A GLN 115.A N GLU 91.A O.A no hydrogen 2.811 N/A GLN 115.A N GLU 91.A O.B no hydrogen 2.868 N/A GLN 115.A NE2 PRO 89.A O no hydrogen 3.119 N/A LYS 117.A N PHE 114.A O no hydrogen 3.144 N/A VAL 119.A N VAL 112.A O no hydrogen 2.843 N/A VAL 120.A N VAL 112.A O no hydrogen 3.226 N/A ARG 121.A N GLN 128.A O.A no hydrogen 2.980 N/A ARG 121.A N GLN 128.A O.B no hydrogen 2.924 N/A ARG 121.A NE GLN 128.A OE1.B no hydrogen 2.448 N/A ARG 121.A NH2 GLN 128.A OE1.B no hydrogen 2.687 N/A PHE 122.A N LEU 110.A O no hydrogen 2.964 N/A TRP 123.A N SER 126.A O no hydrogen 2.842 N/A SER 126.A N TRP 123.A O no hydrogen 3.343 N/A TRP 127.A N ASN 145.A OD1 no hydrogen 2.849 N/A GLN 128.A N.A ARG 121.A O no hydrogen 2.869 N/A GLN 128.A N.B ARG 121.A O no hydrogen 2.806 N/A GLN 128.A NE2.A SER 126.A O no hydrogen 3.549 N/A GLN 128.A NE2.B THR 129.A O no hydrogen 3.145 N/A VAL 130.A N VAL 119.A O no hydrogen 2.711 N/A ALA 133.A N VAL 130.A O no hydrogen 3.089 N/A LEU 137.A N PRO 134.A O no hydrogen 3.154 N/A ASP 138.A N SER 135.A O no hydrogen 3.126 N/A ILE 141.A N LEU 137.A O no hydrogen 3.066 N/A LYS 142.A N ASP 138.A O no hydrogen 2.924 N/A VAL 143.A N LEU 139.A O no hydrogen 2.975 N/A LEU 144.A N PRO 140.A O no hydrogen 2.935 N/A ASN 145.A N ILE 141.A O no hydrogen 2.897 N/A ASN 145.A ND2 TRP 127.A O no hydrogen 2.901 N/A ALA 146.A N VAL 143.A O no hydrogen 2.945 N/A ASP 147.A N LEU 144.A O no hydrogen 3.063 N/A THR 150.A N ASP 147.A OD1 no hydrogen 3.326 N/A THR 150.A OG1 ASP 147.A OD2 no hydrogen 2.470 N/A SER 151.A N ASP 147.A O no hydrogen 3.159 N/A SER 151.A OG THR 125.A O no hydrogen 3.001 N/A ALA 152.A N GLN 148.A O no hydrogen 2.939 N/A THR 153.A N GLY 149.A O no hydrogen 2.987 N/A THR 153.A OG1 GLY 149.A O no hydrogen 3.014 N/A VAL 154.A N THR 150.A O no hydrogen 2.757 N/A GLN 155.A N SER 151.A O no hydrogen 2.779 N/A GLN 155.A NE2 SER 151.A O no hydrogen 3.543 N/A GLN 155.A NE2 SER 151.A OG no hydrogen 3.038 N/A MET 156.A N ALA 152.A O no hydrogen 2.880 N/A LEU 157.A N THR 153.A O no hydrogen 2.830 N/A LEU 158.A N VAL 154.A O no hydrogen 2.883 N/A ASN 159.A N GLN 155.A O no hydrogen 2.786 N/A ASP 160.A N MET 156.A O no hydrogen 2.718 N/A THR 161.A N MET 156.A O no hydrogen 2.914 N/A THR 161.A OG1 MET 156.A O no hydrogen 3.532 N/A CYS 162.A N LEU 157.A O no hydrogen 2.814 N/A LEU 164.A N ASP 160.A O no hydrogen 3.297 N/A PHE 165.A N THR 161.A O no hydrogen 2.839 N/A VAL 166.A N CYS 162.A O no hydrogen 2.907 N/A ARG 167.A N PRO 163.A O no hydrogen 2.887 N/A GLY 168.A N LEU 164.A O no hydrogen 3.182 N/A LEU 169.A N PHE 165.A O no hydrogen 3.029 N/A LEU 170.A N VAL 166.A O no hydrogen 2.970 N/A GLU 171.A N ARG 167.A O no hydrogen 3.046 N/A ALA 172.A N GLY 168.A O no hydrogen 2.833 N/A GLY 173.A N LEU 169.A O no hydrogen 2.561 N/A LYS 174.A N GLU 171.A O no hydrogen 3.432 N/A LYS 174.A NZ GLU 178.A OE1 no hydrogen 3.353 N/A LYS 174.A NZ GLU 178.A OE2 no hydrogen 3.293 N/A ASP 176.A N GLY 173.A O no hydrogen 2.797 N/A LEU 177.A N GLY 173.A O no hydrogen 2.817 N/A GLU 178.A N LYS 174.A O no hydrogen 2.941 N/A LYS 179.A N ASP 176.A O no hydrogen 3.143 N/A LYS 179.A NZ GLU 229.A O no hydrogen 2.755 N/A GLU 181.A N TYR 200.A O no hydrogen 2.751 N/A VAL 184.A N SER 197.A O no hydrogen 2.831 N/A TRP 186.A N HIS 195.A O no hydrogen 2.958 N/A SER 188.A N VAL 193.A O no hydrogen 2.982 N/A SER 188.A OG HIS 195.A NE2 no hydrogen 2.850 N/A ARG 190.A NE GLU 244.A OE1 no hydrogen 2.680 N/A ARG 190.A NH1 SER 189.A OG no hydrogen 2.759 N/A LEU 192.A N LEU 237.A O no hydrogen 2.709 N/A VAL 193.A N SER 188.A O no hydrogen 2.904 N/A CYS 194.A N ALA 235.A O no hydrogen 2.768 N/A HIS 195.A N TRP 186.A O no hydrogen 2.746 N/A HIS 195.A ND1 TYR 232.A OH no hydrogen 2.760 N/A HIS 195.A NE2 SER 188.A OG no hydrogen 2.850 N/A VAL 196.A N LEU 233.A O no hydrogen 2.884 N/A SER 197.A N VAL 184.A O no hydrogen 2.956 N/A GLY 198.A N TRP 231.A O no hydrogen 2.858 N/A TYR 200.A N GLU 181.A O no hydrogen 3.074 N/A TYR 200.A OH ASP 28.A OD1 no hydrogen 2.525 N/A TRP 205.A N LYS 252.A O no hydrogen 2.978 N/A MET 207.A N ARG 250.A O no hydrogen 2.929 N/A TRP 208.A N THR 218.A OG1 no hydrogen 3.361 N/A TRP 208.A NE1 ALA 235.A O no hydrogen 3.128 N/A MET 209.A N ALA 248.A O no hydrogen 2.850 N/A ARG 210.A N GLN 213.A O.A no hydrogen 2.944 N/A ARG 210.A N GLN 213.A O.B no hydrogen 2.944 N/A ARG 210.A NH1 ALA 245.A O no hydrogen 2.757 N/A ARG 210.A NH2 GLU 243.A O no hydrogen 3.513 N/A GLN 213.A N.A ARG 210.A O no hydrogen 3.117 N/A GLN 213.A N.B ARG 210.A O no hydrogen 3.120 N/A GLN 213.A NE2.A GLU 214.A O no hydrogen 2.936 N/A GLN 215.A N TRP 208.A O no hydrogen 2.732 N/A GLN 215.A NE2 GLN 213.A O.A no hydrogen 2.835 N/A GLN 215.A NE2 GLN 213.A O.B no hydrogen 2.845 N/A GLN 215.A NE2 GLN 213.A OE1.B no hydrogen 3.167 N/A THR 218.A N GLN 215.A O no hydrogen 3.083 N/A THR 218.A OG1 GLN 215.A O no hydrogen 2.817 N/A HIS 219.A N THR 236.A O no hydrogen 2.871 N/A ARG 220.A NE GLY 221.A O no hydrogen 3.053 N/A ARG 220.A NH2 GLY 221.A O no hydrogen 3.219 N/A GLY 221.A N GLN 234.A O no hydrogen 2.698 N/A LEU 224.A N TYR 232.A O no hydrogen 2.783 N/A ASN 226.A N THR 230.A O no hydrogen 2.867 N/A ASN 226.A ND2 SER 197.A OG no hydrogen 3.004 N/A ASN 226.A ND2 THR 230.A OG1 no hydrogen 3.111 N/A THR 230.A OG1 ASP 228.A OD1 no hydrogen 2.682 N/A TRP 231.A N PHE 199.A O no hydrogen 2.962 N/A TRP 231.A NE1 ASP 28.A OD2 no hydrogen 3.012 N/A TYR 232.A N LEU 224.A O no hydrogen 2.752 N/A TYR 232.A OH GLN 234.A OE1 no hydrogen 3.129 N/A LEU 233.A N VAL 196.A O no hydrogen 2.898 N/A ALA 235.A N CYS 194.A O no hydrogen 2.905 N/A THR 236.A N HIS 219.A O no hydrogen 2.817 N/A LEU 237.A N LEU 192.A O no hydrogen 2.828 N/A VAL 239.A N ARG 190.A O no hydrogen 2.727 N/A GLU 244.A N GLY 242.A O no hydrogen 2.186 N/A LEU 247.A N GLU 244.A O no hydrogen 3.432 N/A ALA 248.A N MET 209.A O no hydrogen 3.026 N/A CYS 249.A N LEU 263.A O no hydrogen 2.803 N/A CYS 249.A SG MET 207.A O no hydrogen 4.035 N/A ARG 250.A N MET 207.A O no hydrogen 2.818 N/A ARG 250.A NE ASP 260.A OD2 no hydrogen 2.675 N/A ARG 250.A NH2 ASP 260.A OD2 no hydrogen 3.108 N/A VAL 251.A N ILE 261.A O no hydrogen 2.922 N/A LYS 252.A N TRP 205.A O no hydrogen 2.813 N/A LYS 252.A NZ ASP 260.A OD2 no hydrogen 2.668 N/A HIS 253.A ND1 SER 255.A OG no hydrogen 2.885 N/A HIS 253.A NE2 PRO 201.A O no hydrogen 2.749 N/A SER 254.A OG GLN 180.A OE1 no hydrogen 2.619 N/A SER 255.A N HIS 253.A ND1 no hydrogen 3.157 N/A SER 255.A OG GLU 181.A O no hydrogen 3.280 N/A SER 255.A OG HIS 253.A ND1 no hydrogen 2.885 N/A LEU 256.A N HIS 253.A O no hydrogen 2.909 N/A GLN 259.A N LEU 256.A O no hydrogen 3.245 N/A ILE 261.A N VAL 251.A O no hydrogen 3.068 N/A LEU 263.A N CYS 249.A O no hydrogen 2.864 N/A TRP 265.A N LEU 247.A O no hydrogen 2.967 N/A