Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jht_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ARG 170.A O no hydrogen 2.840 N/A ASP 8.A N SER 5.A OG no hydrogen 3.207 N/A PHE 9.A N SER 5.A O no hydrogen 3.113 N/A VAL 10.A N MET 6.A O no hydrogen 2.861 N/A ARG 11.A N GLU 7.A O no hydrogen 2.977 N/A ARG 11.A NE GLU 7.A OE2 no hydrogen 2.897 N/A ARG 11.A NH1 GLU 23.A OE2 no hydrogen 2.865 N/A ARG 11.A NH2 GLU 7.A OE2 no hydrogen 3.168 N/A ARG 11.A NH2 GLU 23.A OE2 no hydrogen 2.863 N/A GLN 12.A N ASP 8.A O no hydrogen 2.972 N/A CYS 13.A N PHE 9.A O no hydrogen 2.871 N/A CYS 13.A N VAL 10.A O no hydrogen 3.391 N/A CYS 13.A SG PHE 9.A O no hydrogen 3.502 N/A PHE 14.A N VAL 10.A O no hydrogen 3.139 N/A MET 17.A N ASN 15.A OD1 no hydrogen 2.982 N/A VAL 19.A N ASN 15.A O no hydrogen 3.061 N/A GLU 20.A N PRO 16.A O no hydrogen 2.931 N/A LEU 21.A N MET 17.A O no hydrogen 2.995 N/A ALA 22.A N ILE 18.A O no hydrogen 2.886 N/A GLU 23.A N VAL 19.A O no hydrogen 2.907 N/A LYS 24.A N GLU 20.A O no hydrogen 2.983 N/A LYS 24.A NZ GLU 20.A OE1 no hydrogen 3.157 N/A THR 25.A N LEU 21.A O no hydrogen 2.909 N/A THR 25.A OG1 LEU 21.A O no hydrogen 2.999 N/A MET 26.A N ALA 22.A O no hydrogen 2.920 N/A LYS 27.A N GLU 23.A O no hydrogen 2.890 N/A GLU 28.A N LYS 24.A O no hydrogen 2.869 N/A TYR 29.A N THR 25.A O no hydrogen 3.017 N/A TYR 29.A N MET 26.A O no hydrogen 2.981 N/A GLY 30.A N LYS 27.A O no hydrogen 2.837 N/A GLU 31.A N MET 26.A O no hydrogen 2.924 N/A LYS 34.A N ASP 32.A OD1 no hydrogen 2.936 N/A ILE 35.A N ASP 32.A O no hydrogen 3.043 N/A GLU 36.A N ASP 32.A O no hydrogen 2.797 N/A THR 37.A OG1 LEU 33.A O no hydrogen 2.801 N/A ASN 38.A ND2 SER 175.A OG no hydrogen 2.922 N/A LYS 39.A NZ GLU 31.A OE2 no hydrogen 2.297 N/A LYS 39.A NZ GLU 36.A OE1 no hydrogen 3.336 N/A PHE 40.A N GLU 36.A O no hydrogen 3.129 N/A ALA 41.A N THR 37.A O no hydrogen 3.011 N/A ALA 42.A N ASN 38.A O no hydrogen 2.910 N/A ILE 43.A N LYS 39.A O no hydrogen 2.800 N/A CYS 44.A N PHE 40.A O no hydrogen 2.990 N/A CYS 44.A SG PHE 40.A O no hydrogen 3.504 N/A THR 45.A N ALA 41.A O no hydrogen 2.875 N/A THR 45.A OG1 ALA 41.A O no hydrogen 2.831 N/A HIS 46.A N ALA 42.A O no hydrogen 2.929 N/A HIS 46.A NE2 ILE 105.A O no hydrogen 3.041 N/A LEU 47.A N ILE 43.A O no hydrogen 2.927 N/A GLU 48.A N CYS 44.A O no hydrogen 2.944 N/A VAL 49.A N THR 45.A O no hydrogen 2.934 N/A CYS 50.A N HIS 46.A O no hydrogen 2.957 N/A CYS 50.A SG HIS 46.A O no hydrogen 3.366 N/A PHE 51.A N LEU 47.A O no hydrogen 2.961 N/A MET 52.A N GLU 48.A O no hydrogen 2.873 N/A TYR 53.A N VAL 49.A O no hydrogen 2.833 N/A TYR 53.A OH HIS 131.A ND1 no hydrogen 2.914 N/A SER 54.A N CYS 50.A O no hydrogen 3.050 N/A ASP 55.A N PHE 51.A O no hydrogen 2.811 N/A ALA 56.A N TYR 53.A O no hydrogen 3.362 N/A SER 57.A N SER 54.A O no hydrogen 3.172 N/A ARG 60.A N SER 57.A O no hydrogen 3.052 N/A ARG 60.A NE ASP 96.A OD1 no hydrogen 2.930 N/A ARG 60.A NH2 ASP 96.A OD2 no hydrogen 2.953 N/A GLU 62.A N TYR 95.A O no hydrogen 2.876 N/A ILE 64.A N ASP 93.A O no hydrogen 2.887 N/A GLU 65.A N ASP 93.A O no hydrogen 3.144 N/A GLY 66.A N GLU 65.A OE2 no hydrogen 3.106 N/A ARG 67.A N ILE 64.A O no hydrogen 3.382 N/A ARG 67.A NE ILE 63.A O no hydrogen 2.674 N/A ARG 67.A NH2 ILE 63.A O no hydrogen 2.913 N/A ARG 69.A N GLU 28.A OE2 no hydrogen 2.770 N/A ALA 72.A N ASP 68.A O no hydrogen 2.779 N/A TRP 73.A N ARG 69.A O no hydrogen 3.055 N/A THR 74.A N THR 70.A O no hydrogen 2.978 N/A THR 74.A OG1 THR 70.A O no hydrogen 3.296 N/A VAL 75.A N MET 71.A O no hydrogen 2.932 N/A VAL 76.A N ALA 72.A O no hydrogen 2.934 N/A ASN 77.A N TRP 73.A O no hydrogen 2.858 N/A SER 78.A N THR 74.A O no hydrogen 2.953 N/A ILE 79.A N VAL 75.A O no hydrogen 2.883 N/A CYS 80.A N VAL 76.A O no hydrogen 2.919 N/A CYS 80.A SG VAL 76.A O no hydrogen 3.265 N/A CYS 80.A SG ALA 85.A O no hydrogen 3.350 N/A ASN 81.A N ASN 77.A O no hydrogen 2.889 N/A THR 82.A N SER 78.A O no hydrogen 2.882 N/A THR 82.A OG1 SER 78.A O no hydrogen 3.313 N/A THR 83.A N ILE 79.A O no hydrogen 2.878 N/A THR 83.A OG1 ILE 79.A O no hydrogen 2.629 N/A GLY 84.A N CYS 80.A O no hydrogen 2.775 N/A ALA 85.A N THR 83.A OG1 no hydrogen 3.007 N/A ASP 93.A N ILE 103.A O no hydrogen 2.898 N/A LEU 94.A N ILE 103.A O no hydrogen 3.057 N/A TYR 95.A N GLU 62.A O no hydrogen 2.848 N/A ASP 96.A N ARG 101.A O no hydrogen 2.747 N/A TYR 97.A N ARG 60.A O no hydrogen 2.820 N/A TYR 97.A OH GLU 62.A OE1 no hydrogen 2.799 N/A LYS 98.A N ASP 96.A OD1 no hydrogen 2.849 N/A GLU 99.A N ASP 96.A OD1 no hydrogen 3.036 N/A ARG 101.A N ASP 96.A O no hydrogen 3.153 N/A ARG 101.A NH1 ASP 145.A OD2 no hydrogen 3.249 N/A ARG 101.A NH2 ASP 145.A OD2 no hydrogen 2.942 N/A ARG 101.A NH2 THR 147.A OG1 no hydrogen 3.422 N/A ILE 103.A N LEU 94.A O no hydrogen 2.904 N/A GLU 104.A N HIS 129.A O no hydrogen 2.821 N/A ILE 105.A N ASP 93.A OD2 no hydrogen 2.767 N/A GLY 106.A N HIS 131.A O no hydrogen 2.903 N/A THR 108.A N PHE 133.A O no hydrogen 2.876 N/A THR 108.A OG1 GLU 180.A OE1 no hydrogen 3.274 N/A THR 108.A OG1 GLU 180.A OE2 no hydrogen 2.660 N/A ARG 109.A N GLU 180.A OE1 no hydrogen 2.649 N/A ARG 109.A NE PHE 176.A O no hydrogen 3.026 N/A ARG 109.A NH2 PHE 176.A O no hydrogen 2.915 N/A ARG 109.A NH2 SER 179.A OG no hydrogen 3.254 N/A ARG 110.A N THR 108.A OG1 no hydrogen 2.909 N/A ARG 110.A NH1 GLU 118.A OE1 no hydrogen 2.840 N/A ARG 110.A NH2 GLU 118.A OE2 no hydrogen 3.228 N/A HIS 113.A N GLU 111.A OE2 no hydrogen 3.438 N/A HIS 113.A ND1 GLU 111.A OE2 no hydrogen 2.628 N/A ILE 114.A N GLU 111.A OE1 no hydrogen 2.940 N/A TYR 115.A N GLU 111.A O no hydrogen 3.079 N/A TYR 116.A N VAL 112.A O no hydrogen 2.843 N/A LEU 117.A N HIS 113.A O no hydrogen 2.901 N/A GLU 118.A N ILE 114.A O no hydrogen 2.917 N/A LYS 119.A N TYR 115.A O no hydrogen 2.871 N/A LYS 119.A NZ GLU 104.A OE2 no hydrogen 2.961 N/A ALA 120.A N TYR 116.A O no hydrogen 2.894 N/A ASN 121.A N LEU 117.A O no hydrogen 2.919 N/A LYS 122.A N GLU 118.A O no hydrogen 2.984 N/A ILE 123.A N LYS 119.A O no hydrogen 3.056 N/A LYS 124.A N ALA 120.A O no hydrogen 3.047 N/A LYS 124.A NZ ASN 121.A O no hydrogen 3.134 N/A LYS 124.A NZ ASN 121.A OD1 no hydrogen 3.319 N/A LYS 127.A N SER 125.A OG no hydrogen 2.775 N/A THR 128.A N SER 125.A OG no hydrogen 2.989 N/A HIS 129.A N PHE 102.A O no hydrogen 2.897 N/A HIS 129.A NE2 ASP 145.A O no hydrogen 2.787 N/A ILE 130.A N THR 142.A OG1 no hydrogen 2.759 N/A HIS 131.A N GLU 104.A O no hydrogen 2.923 N/A HIS 131.A ND1 TYR 53.A OH no hydrogen 2.914 N/A HIS 131.A NE2 GLU 139.A OE2 no hydrogen 2.816 N/A ILE 132.A N MET 140.A O no hydrogen 2.772 N/A PHE 133.A N GLY 106.A O no hydrogen 2.870 N/A SER 134.A N GLU 138.A O no hydrogen 3.029 N/A SER 134.A OG THR 136.A OG1 no hydrogen 3.428 N/A SER 134.A OG GLU 138.A O no hydrogen 3.395 N/A SER 134.A OG GLU 138.A OE1 no hydrogen 2.730 N/A THR 136.A N SER 134.A OG no hydrogen 3.158 N/A THR 136.A OG1 SER 134.A OG no hydrogen 3.428 N/A THR 136.A OG1 GLU 138.A OE1 no hydrogen 2.223 N/A GLU 138.A N SER 134.A OG no hydrogen 3.180 N/A MET 140.A N ILE 132.A O no hydrogen 3.075 N/A THR 142.A N ILE 130.A O no hydrogen 2.983 N/A THR 142.A OG1 ILE 130.A O no hydrogen 3.447 N/A ALA 144.A N ALA 141.A O no hydrogen 3.006 N/A ASP 145.A N THR 142.A O no hydrogen 2.984 N/A THR 147.A N ASP 145.A OD1 no hydrogen 3.301 N/A LEU 148.A N TYR 146.A O no hydrogen 2.640 N/A SER 152.A N ASP 149.A OD1 no hydrogen 2.916 N/A SER 152.A OG ASP 149.A OD1 no hydrogen 2.908 N/A ARG 153.A N ASP 149.A O no hydrogen 3.061 N/A ARG 153.A NE GLU 139.A OE1 no hydrogen 3.094 N/A ARG 153.A NE GLU 139.A OE2 no hydrogen 2.862 N/A ARG 153.A NH1 LEU 148.A O no hydrogen 2.911 N/A ARG 153.A NH1 GLU 150.A OE2 no hydrogen 3.303 N/A ARG 153.A NH2 GLU 139.A OE1 no hydrogen 2.989 N/A ARG 153.A NH2 GLU 150.A OE2 no hydrogen 2.765 N/A ALA 154.A N GLU 150.A O no hydrogen 2.837 N/A ARG 155.A N GLU 151.A O no hydrogen 3.046 N/A ILE 156.A N SER 152.A O no hydrogen 3.271 N/A LYS 157.A N ARG 153.A O no hydrogen 2.874 N/A LYS 157.A NZ GLU 139.A OE1 no hydrogen 2.880 N/A THR 158.A N ALA 154.A O no hydrogen 2.807 N/A THR 158.A OG1 ALA 154.A O no hydrogen 2.994 N/A ARG 159.A N ARG 155.A O no hydrogen 3.037 N/A ARG 159.A NE GLU 48.A OE1 no hydrogen 3.010 N/A ARG 159.A NE GLU 48.A OE2 no hydrogen 3.115 N/A ARG 159.A NH2 CYS 13.A O no hydrogen 2.943 N/A ARG 159.A NH2 GLU 48.A OE1 no hydrogen 2.983 N/A LEU 160.A N ILE 156.A O no hydrogen 3.012 N/A PHE 161.A N LYS 157.A O no hydrogen 2.890 N/A THR 162.A N THR 158.A O no hydrogen 2.922 N/A THR 162.A OG1 THR 158.A O no hydrogen 2.914 N/A ILE 163.A N ARG 159.A O no hydrogen 2.946 N/A ARG 164.A N LEU 160.A O no hydrogen 3.000 N/A GLN 165.A N PHE 161.A O no hydrogen 2.881 N/A GLU 166.A N THR 162.A O no hydrogen 2.972 N/A MET 167.A N ILE 163.A O no hydrogen 2.918 N/A ALA 168.A N ARG 164.A O no hydrogen 2.890 N/A SER 169.A N GLN 165.A O no hydrogen 2.912 N/A SER 169.A OG GLU 166.A O no hydrogen 2.812 N/A ARG 170.A N GLU 166.A O no hydrogen 3.167 N/A ARG 170.A NE GLU 166.A OE2 no hydrogen 2.697 N/A ARG 170.A NH1 GLN 12.A OE1 no hydrogen 2.749 N/A ARG 170.A NH2 GLN 12.A OE1 no hydrogen 3.116 N/A ARG 170.A NH2 GLU 166.A OE2 no hydrogen 3.514 N/A GLY 171.A N ALA 168.A O no hydrogen 3.016 N/A LEU 172.A N MET 167.A O no hydrogen 2.925 N/A PHE 176.A N LEU 172.A O no hydrogen 3.138 N/A ARG 177.A N TRP 173.A O no hydrogen 2.832 N/A GLN 178.A N ASP 174.A O no hydrogen 2.990 N/A SER 179.A N SER 175.A O no hydrogen 2.954 N/A SER 179.A OG SER 175.A O no hydrogen 3.193 N/A SER 179.A OG PHE 176.A O no hydrogen 2.996 N/A