Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jsh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 9.A OG ASN 313.A OD1 no hydrogen 3.460 N/A SER 9.A OG VAL 314.A O no hydrogen 3.321 N/A THR 10.A N ASN 313.A OD1 no hydrogen 2.938 N/A SER 12.A N THR 10.A OG1 no hydrogen 3.117 N/A SER 12.A OG VAL 26.A O no hydrogen 3.012 N/A SER 12.A OG THR 27.A O no hydrogen 3.530 N/A GLU 14.A N SER 12.A OG no hydrogen 3.119 N/A VAL 16.A N VAL 24.A O no hydrogen 2.966 N/A THR 18.A N GLU 21.A O no hydrogen 2.697 N/A THR 18.A OG1 GLU 21.A O no hydrogen 3.029 N/A ASN 23.A N ASP 17.A OD1 no hydrogen 2.596 N/A VAL 24.A N VAL 16.A O no hydrogen 2.794 N/A VAL 26.A N GLU 14.A O no hydrogen 2.966 N/A THR 27.A N LEU 311.A O no hydrogen 2.950 N/A THR 27.A OG1 HIS 28.A ND1 no hydrogen 2.587 N/A LYS 30.A N LEU 307.A O no hydrogen 2.797 N/A LEU 32.A N LEU 305.A O no hydrogen 2.945 N/A LEU 33.A N GLU 31.A OE2 no hydrogen 2.888 N/A HIS 34.A N PHE 285.A O no hydrogen 2.764 N/A HIS 34.A NE2 SER 36.A O no hydrogen 2.626 N/A ASN 38.A N GLY 278.A O no hydrogen 2.798 N/A GLY 39.A N HIS 37.A ND1 no hydrogen 2.920 N/A MET 40.A N ASN 38.A OD1 no hydrogen 2.843 N/A LEU 41.A N ASN 264.A O no hydrogen 2.930 N/A CYS 42.A N GLN 273.A OE1 no hydrogen 2.797 N/A ALA 43.A N CYS 268.A O no hydrogen 2.961 N/A THR 44.A N GLY 47.A O no hydrogen 2.963 N/A THR 44.A OG1 HIS 255.A NE2 no hydrogen 2.598 N/A LEU 46.A N THR 44.A OG1 no hydrogen 2.980 N/A GLY 47.A N THR 44.A O no hydrogen 2.914 N/A LEU 50.A N TYR 78.A O no hydrogen 2.826 N/A LEU 52.A N VAL 80.A O no hydrogen 2.733 N/A CYS 55.A SG THR 54.A OG1 no hydrogen 3.560 N/A THR 56.A N ASN 87.A O no hydrogen 3.116 N/A THR 56.A OG1 ASN 87.A O no hydrogen 3.556 N/A ILE 57.A N GLU 81.A OE1 no hydrogen 2.871 N/A GLU 58.A N GLU 58.A OE2 no hydrogen 2.638 N/A GLY 59.A N THR 56.A OG1 no hydrogen 3.338 N/A LEU 60.A N THR 56.A O no hydrogen 2.987 N/A ILE 61.A N ILE 57.A O no hydrogen 2.941 N/A TYR 62.A N GLU 58.A O no hydrogen 2.862 N/A TYR 62.A OH TYR 223.A O no hydrogen 2.719 N/A GLY 63.A N LEU 60.A O no hydrogen 2.998 N/A ASN 64.A N GLY 59.A O no hydrogen 2.801 N/A ASN 64.A ND2 GLY 88.A O no hydrogen 2.967 N/A SER 66.A N ASN 64.A OD1 no hydrogen 2.729 N/A SER 66.A OG ASN 64.A OD1 no hydrogen 3.287 N/A CYS 67.A N ASN 64.A O no hydrogen 2.802 N/A LEU 70.A N CYS 67.A O no hydrogen 2.969 N/A LEU 71.A N ASP 68.A O no hydrogen 2.849 N/A GLY 73.A N LEU 70.A O no hydrogen 3.104 N/A ARG 74.A NH2 LEU 69.A O no hydrogen 3.070 N/A TRP 76.A N SER 109.A O no hydrogen 2.700 N/A SER 77.A N HIS 48.A O no hydrogen 3.170 N/A SER 77.A OG GLY 47.A O no hydrogen 2.866 N/A TYR 78.A OH CYS 42.A O no hydrogen 2.655 N/A ILE 79.A N ARG 257.A O no hydrogen 3.087 N/A VAL 80.A N LEU 50.A O no hydrogen 2.945 N/A GLU 81.A N LEU 259.A O no hydrogen 2.772 N/A ARG 82.A N LEU 52.A O no hydrogen 2.916 N/A ARG 82.A NH1 THR 261.A O no hydrogen 2.711 N/A ARG 82.A NH1 LEU 263.A O no hydrogen 2.985 N/A ARG 82.A NH2 LEU 263.A O no hydrogen 2.659 N/A SER 84.A OG ASP 53.A O no hydrogen 2.474 N/A ALA 85.A N ARG 82.A O no hydrogen 3.018 N/A VAL 86.A N THR 54.A O no hydrogen 3.058 N/A ASN 87.A N THR 54.A O no hydrogen 2.880 N/A TYR 91.A N TYR 138.A OH no hydrogen 2.957 N/A GLU 96.A N TYR 222.A O no hydrogen 3.061 N/A LEU 101.A N ASN 97.A O no hydrogen 3.028 N/A ARG 102.A N LEU 98.A O no hydrogen 2.847 N/A ARG 102.A NH1 GLU 58.A OE2 no hydrogen 2.882 N/A ARG 102.A NH1 GLU 81.A OE1 no hydrogen 2.756 N/A ARG 102.A NH2 GLU 81.A OE1 no hydrogen 3.414 N/A ARG 102.A NH2 GLU 81.A OE2 no hydrogen 3.013 N/A SER 103.A N GLU 99.A O no hydrogen 2.866 N/A LEU 104.A N GLU 100.A O no hydrogen 2.734 N/A PHE 105.A N LEU 101.A O no hydrogen 2.888 N/A SER 106.A N ARG 102.A O no hydrogen 2.980 N/A SER 106.A OG ARG 102.A O no hydrogen 2.887 N/A SER 106.A OG SER 103.A O no hydrogen 3.084 N/A SER 107.A N SER 103.A O no hydrogen 3.037 N/A SER 107.A OG SER 103.A O no hydrogen 2.861 N/A ALA 108.A N PHE 105.A O no hydrogen 3.072 N/A SER 109.A N SER 251.A O no hydrogen 2.811 N/A SER 109.A OG SER 251.A O no hydrogen 3.233 N/A TYR 111.A N ARG 74.A O no hydrogen 3.193 N/A TYR 111.A OH LEU 70.A O no hydrogen 2.672 N/A GLN 112.A N ILE 249.A O no hydrogen 3.120 N/A ARG 113.A NH1 ARG 139.A O no hydrogen 2.918 N/A ILE 114.A N GLY 247.A O no hydrogen 2.795 N/A ILE 116.A N TRP 245.A O no hydrogen 2.881 N/A PHE 117.A N TRP 245.A O no hydrogen 3.402 N/A ILE 121.A N PRO 118.A O no hydrogen 3.177 N/A TRP 122.A N ASP 119.A O no hydrogen 3.437 N/A ASN 123.A N GLN 154.A OE1 no hydrogen 3.105 N/A SER 125.A N THR 145.A O no hydrogen 2.782 N/A SER 130.A N SER 136.A O no hydrogen 2.873 N/A ALA 132.A N SER 130.A OG no hydrogen 3.027 N/A CYS 133.A N SER 130.A O no hydrogen 2.986 N/A SER 136.A N CYS 133.A O no hydrogen 2.844 N/A TYR 138.A OH TYR 222.A OH no hydrogen 2.746 N/A ARG 139.A N GLY 63.A O no hydrogen 2.807 N/A ARG 139.A NE ASP 68.A OD1 no hydrogen 2.954 N/A ARG 139.A NH2 PRO 65.A O no hydrogen 3.546 N/A ARG 139.A NH2 ASP 68.A OD1 no hydrogen 3.352 N/A ARG 139.A NH2 ASP 68.A OD2 no hydrogen 3.003 N/A SER 140.A N TYR 62.A O no hydrogen 3.298 N/A SER 140.A OG ILE 61.A O no hydrogen 2.824 N/A ARG 142.A N ALA 243.A O no hydrogen 2.863 N/A ARG 142.A NE ASP 119.A OD2 no hydrogen 2.850 N/A ARG 142.A NH2 ASP 119.A OD1 no hydrogen 2.539 N/A TRP 143.A NE1 TYR 185.A OH no hydrogen 3.097 N/A THR 145.A N SER 125.A O no hydrogen 2.953 N/A GLN 146.A N LEU 184.A O no hydrogen 2.744 N/A GLN 146.A NE2 LEU 184.A O no hydrogen 3.629 N/A LYS 147.A N ALA 150.A O no hydrogen 3.173 N/A ALA 150.A N LYS 147.A O no hydrogen 3.366 N/A GLN 154.A N SER 237.A O no hydrogen 2.737 N/A GLN 154.A NE2 PRO 152.A O no hydrogen 2.910 N/A ALA 156.A N VAL 235.A O no hydrogen 2.949 N/A TYR 158.A N LEU 233.A O no hydrogen 2.879 N/A THR 159.A OG1 THR 232.A OG1 no hydrogen 2.753 N/A ASN 160.A N GLN 231.A O no hydrogen 2.949 N/A ASN 160.A ND2 LYS 164.A O no hydrogen 2.640 N/A ASN 160.A ND2 LEU 227.A O no hydrogen 2.897 N/A ARG 162.A N ASN 160.A OD1 no hydrogen 3.011 N/A LYS 164.A NZ SER 251.A OG no hydrogen 2.629 N/A ILE 166.A N LEU 227.A O no hydrogen 2.847 N/A LEU 167.A N HIS 248.A O no hydrogen 2.729 N/A PHE 168.A N SER 225.A O no hydrogen 2.939 N/A TRP 170.A N TYR 223.A O no hydrogen 3.142 N/A GLY 171.A N ILE 242.A O no hydrogen 2.947 N/A ILE 172.A N ASP 221.A O no hydrogen 2.919 N/A ASN 173.A N ASN 240.A O no hydrogen 2.827 N/A ASN 173.A ND2 TYR 185.A OH no hydrogen 2.466 N/A HIS 174.A N ARG 219.A O no hydrogen 2.678 N/A HIS 174.A NE2 ASP 221.A OD1 no hydrogen 2.935 N/A VAL 180.A N THR 177.A OG1 no hydrogen 3.171 N/A GLN 181.A N THR 177.A O no hydrogen 3.005 N/A GLN 181.A NE2 ASN 240.A OD1 no hydrogen 3.011 N/A THR 182.A N ASP 178.A O no hydrogen 2.989 N/A THR 182.A OG1 ASP 178.A O no hydrogen 3.152 N/A THR 182.A OG1 THR 179.A O no hydrogen 2.597 N/A ASN 183.A N THR 179.A O no hydrogen 2.804 N/A ASN 183.A ND2 THR 179.A OG1 no hydrogen 3.150 N/A LEU 184.A N VAL 180.A O no hydrogen 3.014 N/A TYR 185.A N GLN 181.A O no hydrogen 2.890 N/A THR 186.A N THR 182.A O no hydrogen 2.716 N/A ARG 187.A NH1 TYR 151.A O no hydrogen 3.090 N/A ARG 187.A NH2 TYR 151.A O no hydrogen 3.191 N/A THR 190.A OG1 GLY 239.A O no hydrogen 3.306 N/A THR 191.A N ASN 238.A OD1 no hydrogen 2.533 N/A THR 192.A N PHE 203.A O no hydrogen 3.031 N/A THR 192.A OG1 SER 237.A OG no hydrogen 2.720 N/A SER 193.A N ARG 236.A O no hydrogen 2.709 N/A VAL 194.A N ARG 201.A O no hydrogen 2.765 N/A THR 195.A N ARG 234.A O no hydrogen 2.888 N/A THR 196.A N ILE 199.A O no hydrogen 3.043 N/A GLU 197.A N GLU 197.A OE2 no hydrogen 2.588 N/A ASP 198.A N THR 196.A OG1 no hydrogen 3.068 N/A ILE 199.A N THR 196.A OG1 no hydrogen 3.085 N/A ARG 201.A N VAL 194.A O no hydrogen 2.983 N/A ARG 201.A NH1 GLU 96.A OE1 no hydrogen 3.272 N/A ARG 201.A NH2 GLU 96.A OE2 no hydrogen 2.411 N/A PHE 203.A N THR 192.A O no hydrogen 2.662 N/A LYS 204.A NZ ASP 189.A OD1 no hydrogen 3.525 N/A LYS 204.A NZ THR 191.A OG1 no hydrogen 3.266 N/A VAL 206.A N HIS 174.A ND1 no hydrogen 3.300 N/A GLY 208.A N PRO 175.A O no hydrogen 3.139 N/A ARG 210.A N HIS 217.A O no hydrogen 2.929 N/A ARG 210.A NH1 VAL 206.A O no hydrogen 3.065 N/A ARG 210.A NH1 GLY 208.A O no hydrogen 2.621 N/A ARG 210.A NH2 VAL 206.A O no hydrogen 3.013 N/A VAL 213.A N LEU 216.A O no hydrogen 3.117 N/A LEU 216.A N VAL 213.A O no hydrogen 2.930 N/A HIS 217.A ND1 ARG 210.A O no hydrogen 2.801 N/A ARG 219.A N HIS 174.A O no hydrogen 3.098 N/A ARG 219.A NH1 PRO 211.A O no hydrogen 3.012 N/A ARG 219.A NH1 GLY 218.A O no hydrogen 3.124 N/A ARG 219.A NH2 PRO 211.A O no hydrogen 2.745 N/A ILE 220.A N PRO 92.A O no hydrogen 2.904 N/A ASP 221.A N ILE 172.A O no hydrogen 2.882 N/A TYR 222.A N ASN 94.A O no hydrogen 2.859 N/A TYR 222.A OH TYR 91.A O no hydrogen 2.473 N/A TYR 223.A N TRP 170.A O no hydrogen 2.839 N/A TRP 224.A NE1 GLU 96.A O no hydrogen 2.825 N/A SER 225.A N PHE 168.A O no hydrogen 3.083 N/A LEU 227.A N ILE 166.A O no hydrogen 2.826 N/A LYS 228.A N GLN 231.A OE1 no hydrogen 2.728 N/A GLY 230.A N ASN 160.A O no hydrogen 2.791 N/A GLN 231.A N LYS 228.A O no hydrogen 2.976 N/A THR 232.A N GLU 197.A OE2 no hydrogen 2.834 N/A THR 232.A OG1 THR 159.A OG1 no hydrogen 2.753 N/A LEU 233.A N TYR 158.A O no hydrogen 2.688 N/A ARG 234.A N THR 195.A O no hydrogen 2.767 N/A ARG 234.A NE ASP 155.A OD1 no hydrogen 2.998 N/A ARG 234.A NH2 ASP 155.A OD1 no hydrogen 3.513 N/A ARG 234.A NH2 ASP 155.A OD2 no hydrogen 3.160 N/A VAL 235.A N ALA 156.A O no hydrogen 2.994 N/A ARG 236.A N SER 193.A O no hydrogen 2.984 N/A ARG 236.A NH1 ASP 155.A OD2 no hydrogen 2.660 N/A SER 237.A N GLN 154.A O no hydrogen 2.917 N/A SER 237.A OG THR 192.A OG1 no hydrogen 2.720 N/A ASN 238.A ND2 ASP 189.A O no hydrogen 3.626 N/A GLY 239.A N SER 237.A OG no hydrogen 2.882 N/A ASN 240.A ND2 GLN 181.A OE1 no hydrogen 2.684 N/A ASN 240.A ND2 THR 190.A OG1 no hydrogen 2.495 N/A ILE 242.A N GLY 171.A O no hydrogen 2.791 N/A TRP 245.A N SER 140.A O no hydrogen 2.730 N/A TYR 246.A N SER 140.A O no hydrogen 2.993 N/A GLY 247.A N ILE 114.A O no hydrogen 2.751 N/A HIS 248.A N LEU 167.A O no hydrogen 2.806 N/A HIS 248.A NE2 ILE 61.A O no hydrogen 2.895 N/A ILE 249.A N GLN 112.A O no hydrogen 2.808 N/A SER 251.A N SER 110.A O no hydrogen 3.040 N/A SER 254.A N SER 107.A O no hydrogen 3.064 N/A SER 254.A OG ALA 108.A O no hydrogen 2.757 N/A HIS 255.A N SER 77.A O no hydrogen 2.814 N/A HIS 255.A NE2 THR 44.A OG1 no hydrogen 2.598 N/A GLY 256.A N SER 254.A OG no hydrogen 3.101 N/A ARG 257.A NH1 HIS 255.A O no hydrogen 2.972 N/A LEU 259.A N ILE 79.A O no hydrogen 2.771 N/A LEU 263.A N THR 261.A OG1 no hydrogen 2.950 N/A GLY 266.A N LEU 41.A O no hydrogen 3.127 N/A CYS 268.A SG LEU 41.A O no hydrogen 3.988 N/A VAL 270.A N ALA 43.A O no hydrogen 2.926 N/A GLN 271.A N ASN 280.A OD1 no hydrogen 2.986 N/A GLN 271.A NE2 THR 281.A O no hydrogen 3.447 N/A CYS 272.A N LEU 279.A O no hydrogen 3.170 N/A CYS 272.A SG PHE 293.A O no hydrogen 3.797 N/A GLN 273.A N PHE 293.A O no hydrogen 2.837 N/A GLN 273.A NE2 MET 40.A O no hydrogen 3.008 N/A GLN 273.A NE2 THR 274.A O no hydrogen 2.847 N/A THR 274.A N GLY 277.A O no hydrogen 2.977 N/A THR 274.A OG1 GLY 277.A O no hydrogen 2.816 N/A GLU 275.A N GLU 275.A OE1 no hydrogen 2.747 N/A ARG 276.A N THR 274.A OG1 no hydrogen 3.025 N/A ARG 276.A NH1 VAL 288.A O no hydrogen 2.695 N/A GLY 277.A N THR 274.A O no hydrogen 3.254 N/A GLY 277.A N THR 274.A OG1 no hydrogen 3.172 N/A GLY 278.A N ASN 38.A OD1 no hydrogen 2.929 N/A LEU 279.A N CYS 272.A O no hydrogen 2.879 N/A THR 281.A OG1 HIS 34.A ND1 no hydrogen 3.313 N/A LEU 283.A N THR 281.A OG1 no hydrogen 3.113 N/A PHE 285.A N LEU 32.A O no hydrogen 3.276 N/A HIS 286.A N LYS 298.A O no hydrogen 3.131 N/A ASN 287.A N HIS 34.A O no hydrogen 3.310 N/A ASN 287.A ND2 VAL 302.A O no hydrogen 2.994 N/A VAL 288.A N HIS 286.A ND1 no hydrogen 3.208 N/A SER 289.A OG GLU 275.A OE1 no hydrogen 2.968 N/A SER 289.A OG GLU 275.A OE2 no hydrogen 3.297 N/A TYR 291.A N SER 289.A OG no hydrogen 2.945 N/A ALA 292.A N SER 289.A O no hydrogen 3.282 N/A PHE 293.A N GLN 273.A O no hydrogen 2.895 N/A ASN 295.A N GLN 271.A O no hydrogen 2.726 N/A LYS 298.A N PRO 284.A O no hydrogen 2.849 N/A VAL 300.A N HIS 286.A O no hydrogen 2.924 N/A VAL 302.A N VAL 300.A O no hydrogen 3.045 N/A SER 304.A OG GLU 31.A OE1 no hydrogen 2.519 N/A SER 304.A OG GLU 31.A OE2 no hydrogen 3.509 N/A LEU 305.A N GLU 31.A OE2 no hydrogen 2.827 N/A LYS 306.A NZ GLU 14.A OE1 no hydrogen 2.844 N/A LEU 307.A N LYS 30.A O no hydrogen 2.859 N/A VAL 309.A N HIS 28.A O no hydrogen 2.853 N/A GLY 310.A N HIS 28.A O no hydrogen 2.762 N/A ARG 312.A NH1 GLU 21.A OE1 no hydrogen 3.429 N/A ARG 312.A NH2 GLU 21.A OE1 no hydrogen 3.027 N/A ARG 312.A NH2 GLU 21.A OE2 no hydrogen 2.748 N/A ASN 313.A N PRO 25.A O no hydrogen 2.750 N/A ASN 313.A ND2 THR 10.A O no hydrogen 2.938 N/A ASN 313.A ND2 SER 12.A O no hydrogen 3.385 N/A