Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mrx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 177.A OD2 no hydrogen 3.056 N/A LYS 3.A NZ LYS 5.A O.A no hydrogen 2.617 N/A LYS 3.A NZ LYS 5.A O.B no hydrogen 2.889 N/A LYS 3.A NZ THR 175.A O no hydrogen 2.907 N/A ASN 10.A N ASP 7.A O no hydrogen 3.206 N/A ASN 10.A ND2 ASP 7.A OD2 no hydrogen 2.895 N/A ARG 12.A N ASN 10.A OD1 no hydrogen 2.878 N/A ARG 12.A NH2 ASP 181.A OD1 no hydrogen 2.887 N/A TRP 13.A N ASN 10.A O no hydrogen 2.942 N/A TRP 13.A NE1 TRP 173.A O no hydrogen 2.829 N/A ILE 14.A N ASN 10.A O no hydrogen 3.163 N/A LYS 15.A N PRO 11.A O no hydrogen 2.856 N/A ARG 16.A N ARG 12.A O no hydrogen 3.000 N/A ARG 16.A NE PRO 189.A O no hydrogen 2.824 N/A ARG 16.A NH1 PHE 172.A O no hydrogen 2.818 N/A ARG 16.A NH2 ASP 181.A OD1 no hydrogen 3.060 N/A ARG 16.A NH2 PRO 189.A OXT no hydrogen 2.997 N/A HIS 17.A N TRP 13.A O no hydrogen 3.120 N/A HIS 17.A NE2 TRP 173.A O no hydrogen 2.933 N/A LYS 18.A N ILE 14.A O no hydrogen 2.862 N/A LYS 18.A NZ ASP 22.A OD1 no hydrogen 2.772 N/A LYS 18.A NZ ASP 22.A OD2 no hydrogen 3.272 N/A HIS 19.A N LYS 15.A O no hydrogen 2.837 N/A MET 20.A N ARG 16.A O no hydrogen 3.082 N/A PHE 21.A N HIS 17.A O no hydrogen 2.860 N/A ASP 22.A N LYS 18.A O no hydrogen 2.892 N/A PHE 23.A N HIS 19.A O no hydrogen 2.979 N/A LEU 24.A N MET 20.A O no hydrogen 2.918 N/A ASP 25.A N PHE 21.A O no hydrogen 2.836 N/A ILE 26.A N LEU 24.A O no hydrogen 2.979 N/A GLY 28.A N ASP 25.A O no hydrogen 3.009 N/A ASN 29.A N ASN 27.A OD1 no hydrogen 3.083 N/A GLY 30.A N ASP 25.A OD2 no hydrogen 2.779 N/A LYS 31.A N ASN 29.A OD1 no hydrogen 3.006 N/A LYS 31.A NZ.A GLU 77.A OE1 no hydrogen 2.757 N/A LYS 31.A NZ.A GLU 77.A OE2 no hydrogen 3.525 N/A ILE 32.A N ILE 78.A O.A no hydrogen 2.962 N/A ILE 32.A N ILE 78.A O.B no hydrogen 3.041 N/A THR 33.A N GLU 36.A OE1 no hydrogen 3.076 N/A GLU 36.A N THR 33.A OG1 no hydrogen 3.123 N/A ILE 37.A N THR 33.A O no hydrogen 3.272 N/A VAL 38.A N LEU 34.A O no hydrogen 2.852 N/A SER 39.A N ASP 35.A O no hydrogen 2.911 N/A SER 39.A OG ASP 43.A OD2 no hydrogen 2.820 N/A LYS 40.A N GLU 36.A O no hydrogen 2.937 N/A LYS 40.A NZ SER 136.A O no hydrogen 2.781 N/A ALA 41.A N ILE 37.A O no hydrogen 2.965 N/A SER 42.A N VAL 38.A O no hydrogen 2.894 N/A SER 42.A OG VAL 38.A O no hydrogen 3.498 N/A SER 42.A OG GLN 60.A OE1 no hydrogen 2.617 N/A ASP 43.A N SER 39.A O no hydrogen 2.839 N/A ASP 44.A N SER 39.A O no hydrogen 3.224 N/A ILE 45.A N LYS 40.A O no hydrogen 2.888 N/A CYS 46.A N ALA 41.A O no hydrogen 2.953 N/A CYS 46.A SG ALA 41.A O no hydrogen 3.438 N/A CYS 46.A SG HIS 59.A ND1 no hydrogen 3.584 N/A LYS 48.A N ASP 44.A O no hydrogen 3.149 N/A LYS 48.A NZ ASP 44.A OD1 no hydrogen 2.871 N/A LEU 49.A N ILE 45.A O no hydrogen 3.060 N/A GLU 50.A N ALA 47.A O no hydrogen 3.162 N/A ALA 51.A N CYS 46.A O no hydrogen 3.018 N/A THR 52.A N GLN 55.A OE1 no hydrogen 2.927 N/A THR 52.A OG1 GLU 54.A OE2 no hydrogen 3.519 N/A GLN 55.A N THR 52.A OG1 no hydrogen 2.990 N/A GLN 55.A NE2 ASP 115.A OD2 no hydrogen 3.463 N/A THR 56.A N THR 52.A O no hydrogen 2.812 N/A THR 56.A OG1 THR 52.A O no hydrogen 2.914 N/A LYS 57.A N.B PRO 53.A O no hydrogen 2.934 N/A LYS 57.A N.C PRO 53.A O no hydrogen 2.924 N/A LYS 57.A NZ.C LYS 57.A O.C no hydrogen 2.963 N/A LYS 57.A O.B THR 56.A O no hydrogen 3.457 N/A LYS 57.A O.C THR 56.A O no hydrogen 3.405 N/A ARG 58.A N GLU 54.A O no hydrogen 2.959 N/A HIS 59.A N GLN 55.A O no hydrogen 2.937 N/A GLN 60.A N THR 56.A O no hydrogen 2.920 N/A VAL 61.A N LYS 57.A O.B no hydrogen 2.942 N/A VAL 61.A N LYS 57.A O.C no hydrogen 2.939 N/A CYS 62.A N ARG 58.A O no hydrogen 3.019 N/A CYS 62.A SG ARG 58.A O no hydrogen 3.334 N/A CYS 62.A SG GLU 108.A O no hydrogen 3.486 N/A VAL 63.A N HIS 59.A O no hydrogen 2.878 N/A GLU 64.A N GLN 60.A O no hydrogen 2.878 N/A ALA 65.A N VAL 61.A O no hydrogen 2.946 N/A PHE 66.A N CYS 62.A O no hydrogen 2.922 N/A PHE 67.A N VAL 63.A O no hydrogen 2.947 N/A ARG 68.A N GLU 64.A O no hydrogen 2.915 N/A ARG 68.A NE GLU 73.A OE1 no hydrogen 3.343 N/A ARG 68.A NE GLU 73.A OE2 no hydrogen 2.846 N/A ARG 68.A NH2 GLU 73.A OE1 no hydrogen 2.823 N/A ARG 68.A NH2 GLU 73.A OE2 no hydrogen 3.562 N/A GLY 69.A N ALA 65.A O no hydrogen 2.949 N/A CYS 70.A N.A PHE 66.A O no hydrogen 3.256 N/A CYS 70.A N.A PHE 67.A O no hydrogen 3.051 N/A CYS 70.A N.B PHE 66.A O no hydrogen 3.298 N/A CYS 70.A N.B PHE 67.A O no hydrogen 3.006 N/A CYS 70.A SG.A PHE 66.A O no hydrogen 3.932 N/A CYS 70.A SG.A PHE 67.A O no hydrogen 3.543 N/A CYS 70.A SG.B PHE 66.A O no hydrogen 3.944 N/A GLY 71.A N ARG 68.A O no hydrogen 2.845 N/A MET 72.A N.A PHE 67.A O no hydrogen 3.004 N/A MET 72.A N.B PHE 67.A O no hydrogen 3.042 N/A TYR 74.A N GLU 73.A OE1 no hydrogen 2.818 N/A TYR 74.A OH GLU 64.A OE1.B no hydrogen 2.922 N/A TYR 74.A OH GLU 64.A OE2.A no hydrogen 2.204 N/A GLY 75.A N ASP 35.A OD1 no hydrogen 2.814 N/A LYS 76.A N GLU 73.A O no hydrogen 3.191 N/A ILE 78.A N.A ILE 32.A O no hydrogen 2.879 N/A ILE 78.A N.B ILE 32.A O no hydrogen 2.897 N/A PHE 83.A N ALA 79.A O no hydrogen 3.022 N/A LEU 84.A N PHE 80.A O no hydrogen 2.835 N/A ASP 85.A N PRO 81.A O no hydrogen 3.005 N/A GLY 86.A N GLN 82.A O.A no hydrogen 2.953 N/A GLY 86.A N GLN 82.A O.B no hydrogen 2.941 N/A TRP 87.A N PHE 83.A O no hydrogen 2.923 N/A LYS 88.A N LEU 84.A O no hydrogen 3.029 N/A GLN 89.A N ASP 85.A O no hydrogen 3.143 N/A LEU 90.A N GLY 86.A O no hydrogen 2.885 N/A ALA 91.A N TRP 87.A O no hydrogen 2.872 N/A THR 92.A N LYS 88.A O no hydrogen 2.981 N/A THR 92.A OG1 LYS 88.A O no hydrogen 2.929 N/A SER 93.A N GLN 89.A O no hydrogen 2.964 N/A GLU 94.A N LEU 90.A O no hydrogen 2.850 N/A LEU 95.A N ALA 91.A O no hydrogen 2.943 N/A LYS 96.A N THR 92.A O no hydrogen 3.074 N/A LYS 97.A N SER 93.A O no hydrogen 2.993 N/A TRP 98.A N GLU 94.A O no hydrogen 2.849 N/A ALA 99.A N LEU 95.A O no hydrogen 2.944 N/A ARG 100.A N LYS 96.A O no hydrogen 3.174 N/A ARG 100.A N LYS 97.A O no hydrogen 3.067 N/A ARG 100.A NE GLU 102.A OE2 no hydrogen 2.739 N/A ASN 101.A N TRP 98.A O no hydrogen 2.976 N/A GLU 102.A N LYS 97.A O no hydrogen 2.828 N/A LEU 105.A N GLU 94.A OE2 no hydrogen 2.784 N/A ILE 106.A N GLU 94.A OE1 no hydrogen 2.960 N/A ARG 107.A N THR 104.A OG1 no hydrogen 2.970 N/A ARG 107.A NE ASP 111.A OD1 no hydrogen 2.831 N/A ARG 107.A NH2 ASP 111.A OD1 no hydrogen 3.526 N/A GLU 108.A N THR 104.A O no hydrogen 2.970 N/A TRP 109.A N LEU 105.A O no hydrogen 2.944 N/A TRP 109.A NE1 HIS 59.A NE2 no hydrogen 3.034 N/A GLY 110.A N ILE 106.A O no hydrogen 2.954 N/A ASP 111.A N ARG 107.A O no hydrogen 2.853 N/A ALA 112.A N GLU 108.A O no hydrogen 3.009 N/A VAL 113.A N TRP 109.A O no hydrogen 2.927 N/A PHE 114.A N GLY 110.A O no hydrogen 2.837 N/A ASP 115.A N ASP 111.A O no hydrogen 2.903 N/A ILE 116.A N VAL 113.A O no hydrogen 3.073 N/A PHE 117.A N PHE 114.A O no hydrogen 3.016 N/A ASP 118.A N ASP 115.A O no hydrogen 3.174 N/A SER 121.A OG ASP 118.A OD2 no hydrogen 3.428 N/A ILE 124.A N LEU 160.A O no hydrogen 2.916 N/A THR 125.A N GLU 128.A OE1 no hydrogen 3.049 N/A GLU 128.A N THR 125.A OG1 no hydrogen 2.993 N/A TRP 129.A N THR 125.A O no hydrogen 2.869 N/A LYS 130.A N LEU 126.A O no hydrogen 2.881 N/A LYS 130.A NZ GLN 142.A OE1 no hydrogen 3.047 N/A LYS 130.A NZ GLU 146.A OE2 no hydrogen 2.813 N/A ALA 131.A N ASP 127.A O no hydrogen 2.991 N/A PHE 132.A N GLU 128.A O no hydrogen 2.933 N/A GLY 133.A N TRP 129.A O no hydrogen 2.794 N/A LYS 134.A N LYS 130.A O no hydrogen 3.044 N/A LYS 134.A NZ PRO 140.A O no hydrogen 3.049 N/A ILE 135.A N ALA 131.A O no hydrogen 2.877 N/A SER 136.A N PHE 132.A O no hydrogen 2.826 N/A SER 136.A OG PHE 132.A O no hydrogen 2.860 N/A GLY 137.A N GLY 133.A O no hydrogen 3.003 N/A ILE 138.A N SER 136.A OG no hydrogen 3.162 N/A SER 139.A N GLY 133.A O no hydrogen 3.070 N/A ASP 144.A N SER 141.A OG no hydrogen 3.162 N/A CYS 145.A N SER 141.A O no hydrogen 3.178 N/A CYS 145.A SG TRP 129.A O no hydrogen 3.930 N/A CYS 145.A SG SER 139.A O no hydrogen 3.400 N/A CYS 145.A SG SER 139.A OG no hydrogen 3.423 N/A CYS 145.A SG SER 141.A O no hydrogen 3.650 N/A GLU 146.A N GLN 142.A O no hydrogen 2.931 N/A ALA 147.A N GLU 143.A O no hydrogen 2.905 N/A THR 148.A N ASP 144.A O no hydrogen 2.910 N/A THR 148.A OG1 ASP 144.A O no hydrogen 3.181 N/A THR 148.A OG1 LEU 183.A O no hydrogen 2.620 N/A PHE 149.A N CYS 145.A O no hydrogen 3.052 N/A ARG 150.A N GLU 146.A O no hydrogen 2.911 N/A HIS 151.A N ALA 147.A O no hydrogen 2.838 N/A HIS 151.A NE2 GLN 168.A OE1 no hydrogen 2.743 N/A CYS 152.A N THR 148.A O no hydrogen 3.017 N/A CYS 152.A SG THR 148.A O no hydrogen 3.434 N/A ASP 153.A N GLU 164.A OE2 no hydrogen 2.820 N/A ASP 155.A N ASP 159.A O no hydrogen 2.844 N/A SER 157.A N ASP 155.A OD1 no hydrogen 2.804 N/A GLY 158.A N ASP 155.A O no hydrogen 3.075 N/A ASP 159.A N ASP 155.A OD1 no hydrogen 2.830 N/A LEU 160.A N ILE 124.A O no hydrogen 2.874 N/A VAL 162.A N GLY 122.A O no hydrogen 3.235 N/A GLU 164.A N ASP 161.A OD1 no hydrogen 2.994 N/A MET 165.A N ASP 161.A O no hydrogen 3.061 N/A THR 166.A N VAL 162.A O no hydrogen 2.852 N/A THR 166.A OG1 VAL 162.A O no hydrogen 2.746 N/A ARG 167.A N.A ASP 163.A O no hydrogen 3.044 N/A ARG 167.A N.B ASP 163.A O no hydrogen 3.041 N/A ARG 167.A NH2.B GLU 164.A OE1 no hydrogen 2.737 N/A GLN 168.A N GLU 164.A O no hydrogen 2.971 N/A GLN 168.A NE2 GLU 164.A OE2 no hydrogen 2.990 N/A HIS 169.A N MET 165.A O no hydrogen 2.848 N/A HIS 169.A NE2 TYR 184.A OH no hydrogen 2.742 N/A LEU 170.A N THR 166.A O no hydrogen 2.887 N/A GLY 171.A N ARG 167.A O.A no hydrogen 3.207 N/A GLY 171.A N ARG 167.A O.B no hydrogen 3.296 N/A PHE 172.A N GLN 168.A O no hydrogen 2.815 N/A TRP 173.A N HIS 169.A O no hydrogen 2.870 N/A TYR 174.A N LEU 170.A O no hydrogen 3.028 N/A TYR 174.A OH GLU 94.A OE1 no hydrogen 2.605 N/A THR 175.A OG1 LYS 3.A O no hydrogen 3.158 N/A ASP 177.A N GLY 171.A O no hydrogen 2.894 N/A GLU 179.A N ASP 177.A OD1 no hydrogen 3.059 N/A ALA 180.A N ASP 177.A O no hydrogen 2.838 N/A ASP 181.A N PRO 178.A O no hydrogen 3.179 N/A LEU 183.A N ALA 180.A O no hydrogen 3.029 N/A TYR 184.A OH HIS 169.A NE2 no hydrogen 2.742 N/A GLY 185.A N GLY 182.A O no hydrogen 2.965 N/A ASN 186.A N ASP 144.A OD1 no hydrogen 2.894 N/A GLY 187.A N TYR 184.A O no hydrogen 2.931 N/A