Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4agd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ASP 181.A OD2 no hydrogen 2.814 N/A SER 2.A OG ASP 181.A OD1 no hydrogen 3.200 N/A ILE 3.A N ASP 181.A OD2 no hydrogen 3.231 N/A VAL 4.A N ILE 160.A O no hydrogen 2.983 N/A ASP 6.A N LYS 158.A O no hydrogen 3.053 N/A ASP 8.A N ASP 6.A OD1 no hydrogen 2.734 N/A GLU 9.A N ASP 6.A O no hydrogen 3.292 N/A LEU 10.A N PRO 7.A O no hydrogen 3.518 N/A TYR 14.A OH GLU 20.A OE1 no hydrogen 2.612 N/A SER 17.A OG ASP 15.A OD1 no hydrogen 2.388 N/A LYS 18.A N ASP 15.A O no hydrogen 3.327 N/A GLU 20.A N ALA 16.A O no hydrogen 3.027 N/A PHE 21.A N ALA 96.A O no hydrogen 2.843 N/A ARG 23.A NE PRO 103.A O no hydrogen 3.297 N/A ARG 23.A NH1 LYS 99.A O no hydrogen 3.390 N/A ARG 23.A NH2 LYS 99.A O no hydrogen 2.993 N/A ARG 23.A NH2 PRO 103.A O no hydrogen 2.889 N/A ARG 25.A N PRO 22.A O no hydrogen 2.535 N/A ARG 25.A NH2 GLY 47.A O no hydrogen 3.495 N/A LYS 27.A N ASP 44.A O no hydrogen 2.733 N/A LEU 32.A N VAL 40.A O no hydrogen 2.733 N/A GLY 33.A N VAL 40.A O no hydrogen 3.318 N/A GLY 35.A N GLY 38.A O no hydrogen 2.793 N/A GLN 39.A N MET 61.A O no hydrogen 3.065 N/A GLN 39.A NE2 LEU 62.A O no hydrogen 3.100 N/A VAL 40.A N GLY 33.A O no hydrogen 2.879 N/A ILE 41.A N VAL 59.A O no hydrogen 2.937 N/A GLU 42.A N LYS 30.A O no hydrogen 2.852 N/A ALA 43.A N VAL 57.A O no hydrogen 2.916 N/A ASP 44.A N LYS 27.A O no hydrogen 2.866 N/A ALA 45.A N ARG 55.A O no hydrogen 2.901 N/A PHE 46.A N ARG 25.A O no hydrogen 2.829 N/A GLY 47.A N THR 53.A O no hydrogen 2.619 N/A THR 53.A N LYS 50.A O no hydrogen 2.926 N/A THR 53.A OG1 LYS 50.A O no hydrogen 2.891 N/A VAL 57.A N ALA 43.A O no hydrogen 2.723 N/A ALA 58.A N VAL 108.A O no hydrogen 2.945 N/A VAL 59.A N ILE 41.A O no hydrogen 2.832 N/A LYS 60.A N VAL 106.A O no hydrogen 2.706 N/A LYS 60.A NZ GLU 77.A OE2 no hydrogen 3.023 N/A LYS 60.A NZ ASP 181.A O no hydrogen 3.026 N/A MET 61.A N GLN 39.A O no hydrogen 3.099 N/A LYS 63.A N PHE 37.A O no hydrogen 2.676 N/A LYS 63.A NZ ALA 36.A O no hydrogen 2.615 N/A ALA 66.A N LYS 63.A O no hydrogen 3.353 N/A THR 67.A N GLU 70.A OE1 no hydrogen 2.852 N/A THR 67.A OG1 SER 69.A OG no hydrogen 2.912 N/A THR 67.A OG1 GLU 70.A OE1 no hydrogen 2.551 N/A SER 69.A N THR 67.A OG1 no hydrogen 3.149 N/A SER 69.A OG THR 67.A OG1 no hydrogen 2.912 N/A HIS 71.A N THR 67.A O no hydrogen 3.129 N/A ARG 72.A N HIS 68.A O no hydrogen 2.845 N/A ALA 73.A N SER 69.A O no hydrogen 3.047 N/A LEU 74.A N GLU 70.A O no hydrogen 2.817 N/A MET 75.A N HIS 71.A O no hydrogen 2.894 N/A SER 76.A N ARG 72.A O no hydrogen 2.907 N/A SER 76.A OG ARG 72.A O no hydrogen 2.747 N/A GLU 77.A N ALA 73.A O no hydrogen 3.045 N/A LEU 78.A N LEU 74.A O no hydrogen 3.324 N/A LYS 79.A N MET 75.A O no hydrogen 3.238 N/A ILE 80.A N SER 76.A O no hydrogen 2.997 N/A LEU 81.A N GLU 77.A O no hydrogen 2.733 N/A ILE 82.A N LEU 78.A O no hydrogen 2.773 N/A HIS 83.A N LYS 79.A O no hydrogen 2.919 N/A HIS 83.A NE2 ARG 157.A O no hydrogen 2.877 N/A ILE 84.A N ILE 80.A O no hydrogen 2.833 N/A GLY 85.A N LEU 81.A O no hydrogen 3.264 N/A ASN 89.A N HIS 87.A ND1 no hydrogen 2.773 N/A ASN 89.A ND2 VAL 177.A O no hydrogen 3.504 N/A VAL 91.A N ILE 179.A O no hydrogen 2.888 N/A ASN 92.A N GLU 109.A OE1 no hydrogen 2.837 N/A ASN 92.A ND2 GLY 85.A O no hydrogen 3.668 N/A ASN 92.A ND2 HIS 87.A O no hydrogen 2.998 N/A LEU 94.A N ILE 107.A O no hydrogen 2.544 N/A GLY 95.A N ILE 107.A O no hydrogen 3.276 N/A ALA 96.A N TRP 19.A O no hydrogen 2.816 N/A CYS 97.A N MET 105.A O no hydrogen 2.880 N/A CYS 97.A SG PHE 21.A O no hydrogen 2.948 N/A THR 98.A N GLU 20.A OE1 no hydrogen 3.135 N/A THR 98.A N GLU 20.A OE2 no hydrogen 2.954 N/A THR 98.A OG1 GLU 20.A OE1 no hydrogen 2.636 N/A MET 105.A N CYS 97.A O no hydrogen 3.206 N/A VAL 106.A N LYS 60.A O no hydrogen 3.037 N/A ILE 107.A N GLY 95.A O no hydrogen 2.713 N/A VAL 108.A N ALA 58.A O no hydrogen 2.817 N/A GLU 109.A N ASN 92.A O no hydrogen 2.994 N/A CYS 111.A SG GLU 109.A O no hydrogen 3.960 N/A PHE 113.A N LEU 171.A O no hydrogen 3.169 N/A GLY 114.A N CYS 111.A O no hydrogen 2.996 N/A ASN 115.A ND2 THR 118.A OG1 no hydrogen 3.198 N/A LEU 116.A N ILE 169.A O no hydrogen 2.541 N/A SER 117.A N ALA 166.A O no hydrogen 3.199 N/A THR 118.A N ASN 115.A OD1 no hydrogen 2.959 N/A THR 118.A OG1 ASN 115.A OD1 no hydrogen 3.199 N/A TYR 119.A N ASN 115.A O no hydrogen 3.314 N/A LEU 120.A N LEU 116.A O no hydrogen 2.854 N/A ARG 121.A N SER 117.A O no hydrogen 2.945 N/A ARG 121.A NH1 SER 117.A OG no hydrogen 2.504 N/A ARG 121.A NH1 GLY 237.A O no hydrogen 2.480 N/A SER 122.A N TYR 119.A O no hydrogen 3.151 N/A SER 122.A OG TYR 119.A O no hydrogen 2.646 N/A LYS 123.A N LEU 120.A O no hydrogen 2.775 N/A LYS 123.A NZ GLU 126.A OE1 no hydrogen 2.597 N/A LYS 123.A NZ ASP 133.A O no hydrogen 2.798 N/A ARG 124.A NE SER 235.A O no hydrogen 3.350 N/A ARG 124.A NH2 SER 235.A O no hydrogen 3.440 N/A VAL 128.A N LEU 135.A O no hydrogen 2.656 N/A PHE 134.A N TYR 131.A O no hydrogen 3.337 N/A LEU 135.A N GLU 126.A O no hydrogen 2.993 N/A THR 136.A N HIS 139.A ND1 no hydrogen 3.182 N/A THR 136.A OG1 HIS 139.A ND1 no hydrogen 2.805 N/A LEU 137.A N PRO 129.A O no hydrogen 3.399 N/A GLU 138.A N THR 136.A OG1 no hydrogen 3.296 N/A HIS 139.A ND1 THR 136.A OG1 no hydrogen 2.805 N/A LEU 140.A N THR 136.A O no hydrogen 3.397 N/A ILE 141.A N LEU 137.A O no hydrogen 3.075 N/A CYS 142.A N GLU 138.A O no hydrogen 3.033 N/A TYR 143.A N HIS 139.A O no hydrogen 2.774 N/A TYR 143.A OH ASN 175.A OD1 no hydrogen 2.641 N/A SER 144.A N LEU 140.A O no hydrogen 3.211 N/A SER 144.A OG LEU 140.A O no hydrogen 2.746 N/A PHE 145.A N ILE 141.A O no hydrogen 2.947 N/A GLN 146.A N CYS 142.A O no hydrogen 2.886 N/A GLN 146.A NE2 ASN 175.A O no hydrogen 2.695 N/A VAL 147.A N TYR 143.A O no hydrogen 2.988 N/A ALA 148.A N SER 144.A O no hydrogen 3.034 N/A LYS 149.A N PHE 145.A O no hydrogen 3.056 N/A GLY 150.A N GLN 146.A O no hydrogen 2.812 N/A MET 151.A N VAL 147.A O no hydrogen 2.616 N/A GLU 152.A N ALA 148.A O no hydrogen 2.719 N/A PHE 153.A N LYS 149.A O no hydrogen 2.886 N/A LEU 154.A N GLY 150.A O no hydrogen 2.920 N/A ALA 155.A N MET 151.A O no hydrogen 2.901 N/A ALA 155.A N GLU 152.A O no hydrogen 2.721 N/A SER 156.A N GLU 152.A O no hydrogen 2.802 N/A SER 156.A OG PHE 153.A O no hydrogen 2.864 N/A LYS 158.A N ALA 155.A O no hydrogen 2.603 N/A CYS 159.A N LEU 154.A O no hydrogen 3.131 N/A ILE 160.A N VAL 4.A O no hydrogen 2.679 N/A HIS 161.A N ASP 222.A OD2 no hydrogen 3.216 N/A HIS 161.A NE2 CYS 180.A O no hydrogen 2.854 N/A ARG 162.A N SER 2.A O no hydrogen 2.901 N/A ARG 162.A NH1 LEU 1.A O no hydrogen 3.233 N/A ASP 163.A N HIS 161.A ND1 no hydrogen 3.266 N/A ALA 166.A N GLU 232.A OE1 no hydrogen 3.267 N/A ARG 167.A NE TYR 194.A OH no hydrogen 2.750 N/A ARG 167.A NH2 ASP 163.A OD1 no hydrogen 2.989 N/A ASN 168.A N ALA 165.A O no hydrogen 2.813 N/A ASN 168.A ND2 ASP 163.A O no hydrogen 3.339 N/A LEU 170.A N LYS 178.A O no hydrogen 2.914 N/A LEU 171.A N GLY 114.A O no hydrogen 2.874 N/A SER 172.A N VAL 176.A O no hydrogen 2.866 N/A SER 172.A OG VAL 176.A O no hydrogen 3.409 N/A VAL 176.A N GLU 173.A O no hydrogen 3.494 N/A VAL 177.A N GLN 146.A OE1 no hydrogen 2.888 N/A LYS 178.A N LEU 170.A O no hydrogen 2.806 N/A LYS 178.A NZ LEU 88.A O no hydrogen 2.809 N/A LYS 178.A NZ VAL 90.A O no hydrogen 3.025 N/A LYS 178.A NZ ASN 92.A OD1 no hydrogen 3.437 N/A LYS 178.A NZ GLU 109.A OE1 no hydrogen 2.753 N/A LYS 178.A NZ GLU 109.A OE2 no hydrogen 3.131 N/A ILE 179.A N ASN 89.A O no hydrogen 2.640 N/A CYS 180.A N ASN 168.A O no hydrogen 3.107 N/A GLY 183.A N ASP 181.A OD1 no hydrogen 2.951 N/A ALA 185.A N PHE 182.A O no hydrogen 2.970 N/A ARG 186.A N GLY 183.A O no hydrogen 3.114 N/A ARG 186.A NH1 ASN 168.A OD1 no hydrogen 3.019 N/A ARG 186.A NH2 ASN 168.A OD1 no hydrogen 2.789 N/A LYS 190.A N ASP 187.A O no hydrogen 3.408 N/A ASP 193.A N ASP 191.A OD1 no hydrogen 2.815 N/A TYR 194.A N ASP 191.A O no hydrogen 3.136 N/A TYR 194.A OH ASP 163.A OD2 no hydrogen 2.718 N/A VAL 195.A N LEU 202.A O no hydrogen 2.882 N/A LYS 197.A N ALA 200.A O no hydrogen 2.499 N/A LEU 202.A N VAL 195.A O no hydrogen 2.670 N/A LYS 205.A NZ PRO 240.A O no hydrogen 2.692 N/A TRP 206.A N PRO 203.A O no hydrogen 2.786 N/A TRP 206.A NE1 GLU 232.A OE1 no hydrogen 2.819 N/A MET 207.A N PRO 203.A O no hydrogen 3.079 N/A MET 207.A N LEU 204.A O no hydrogen 3.105 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.904 N/A THR 211.A OG1 VAL 216.A O no hydrogen 2.733 N/A ILE 212.A N ALA 208.A O no hydrogen 3.011 N/A PHE 213.A N PRO 209.A O no hydrogen 2.823 N/A ASP 214.A N GLU 210.A O no hydrogen 3.058 N/A ARG 215.A N GLU 210.A O no hydrogen 2.951 N/A ARG 215.A NH1 ASP 214.A O no hydrogen 3.296 N/A VAL 216.A N GLU 210.A O no hydrogen 3.349 N/A THR 218.A N SER 221.A OG no hydrogen 2.639 N/A THR 218.A OG1 SER 221.A OG no hydrogen 3.317 N/A GLN 220.A N THR 218.A OG1 no hydrogen 2.655 N/A GLN 220.A NE2 PRO 286.A O no hydrogen 2.916 N/A SER 221.A N THR 218.A OG1 no hydrogen 2.782 N/A SER 221.A OG VAL 216.A O no hydrogen 3.205 N/A SER 221.A OG THR 218.A O no hydrogen 3.119 N/A SER 221.A OG THR 218.A OG1 no hydrogen 3.317 N/A VAL 223.A N ILE 219.A O no hydrogen 3.418 N/A TRP 224.A N GLN 220.A O no hydrogen 3.413 N/A SER 225.A OG TRP 206.A O no hydrogen 2.903 N/A PHE 226.A N ASP 222.A O no hydrogen 2.626 N/A GLY 227.A N VAL 223.A O no hydrogen 2.580 N/A VAL 228.A N TRP 224.A O no hydrogen 2.918 N/A LEU 229.A N SER 225.A O no hydrogen 2.682 N/A LEU 230.A N PHE 226.A O no hydrogen 2.800 N/A TRP 231.A N GLY 227.A O no hydrogen 3.158 N/A GLU 232.A N VAL 228.A O no hydrogen 3.127 N/A ILE 233.A N LEU 229.A O no hydrogen 3.194 N/A PHE 234.A N LEU 230.A O no hydrogen 3.067 N/A SER 235.A OG TRP 231.A O no hydrogen 3.176 N/A SER 235.A OG GLU 232.A O no hydrogen 2.950 N/A LEU 236.A N ILE 233.A O no hydrogen 2.859 N/A GLY 237.A N GLU 232.A O no hydrogen 2.702 N/A ALA 238.A N SER 235.A OG no hydrogen 3.019 N/A VAL 244.A N PRO 242.A O no hydrogen 2.608 N/A PHE 250.A N ASP 247.A OD1 no hydrogen 2.825 N/A CYS 251.A N ASP 247.A O no hydrogen 3.366 N/A CYS 251.A SG ASP 247.A O no hydrogen 3.051 N/A CYS 251.A SG GLU 248.A O no hydrogen 3.817 N/A ARG 253.A N GLU 249.A O no hydrogen 3.401 N/A LEU 254.A N PHE 250.A O no hydrogen 3.256 N/A LEU 254.A N CYS 251.A O no hydrogen 3.254 N/A LYS 255.A N ARG 252.A O no hydrogen 2.791 N/A GLU 256.A N ARG 252.A O no hydrogen 3.430 N/A THR 258.A N ARG 253.A O no hydrogen 3.102 N/A ARG 259.A NE TRP 278.A O no hydrogen 2.715 N/A ARG 259.A NH1 LEU 254.A O no hydrogen 2.972 N/A ARG 259.A NH2 LEU 254.A O no hydrogen 2.927 N/A TYR 265.A N PHE 234.A O no hydrogen 2.896 N/A THR 266.A N PRO 263.A O no hydrogen 3.263 N/A THR 266.A OG1 THR 267.A O no hydrogen 2.904 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.306 N/A MET 270.A N THR 267.A OG1 no hydrogen 3.282 N/A TYR 271.A N THR 267.A O no hydrogen 3.006 N/A TYR 271.A OH MET 260.A O no hydrogen 2.645 N/A GLN 272.A N PRO 268.A O no hydrogen 3.197 N/A THR 273.A N GLU 269.A O no hydrogen 2.929 N/A THR 273.A OG1 GLU 269.A O no hydrogen 3.055 N/A MET 274.A N MET 270.A O no hydrogen 2.910 N/A LEU 275.A N TYR 271.A O no hydrogen 3.039 N/A ASP 276.A N GLN 272.A O no hydrogen 2.862 N/A CYS 277.A N THR 273.A O no hydrogen 3.057 N/A CYS 277.A SG THR 273.A O no hydrogen 3.578 N/A TRP 278.A N MET 274.A O no hydrogen 3.230 N/A TRP 278.A N LEU 275.A O no hydrogen 3.250 N/A HIS 279.A N ASP 276.A O no hydrogen 2.726 N/A GLN 284.A N GLU 281.A O no hydrogen 2.713 N/A ARG 285.A NE HIS 279.A O no hydrogen 3.209 N/A ARG 285.A NH1 GLU 210.A OE2 no hydrogen 3.166 N/A ARG 285.A NH1 GLN 220.A O no hydrogen 3.273 N/A ARG 285.A NH2 GLU 210.A OE1 no hydrogen 3.492 N/A ARG 285.A NH2 HIS 279.A O no hydrogen 2.733 N/A THR 287.A N GLU 290.A OE1 no hydrogen 2.850 N/A SER 289.A OG GLU 152.A OE2 no hydrogen 2.740 N/A GLU 290.A N THR 287.A O no hydrogen 2.690 N/A GLU 290.A N THR 287.A OG1 no hydrogen 2.882 N/A LEU 291.A N THR 287.A O no hydrogen 2.862 N/A VAL 292.A N PHE 288.A O no hydrogen 2.887 N/A HIS 294.A N GLU 290.A O no hydrogen 3.260 N/A LEU 295.A N LEU 291.A O no hydrogen 2.989 N/A GLY 296.A N VAL 292.A O no hydrogen 3.055 N/A ASN 297.A N GLU 293.A O no hydrogen 2.677 N/A LEU 298.A N HIS 294.A O no hydrogen 2.717 N/A LEU 299.A N LEU 295.A O no hydrogen 2.780 N/A GLN 300.A N GLY 296.A O no hydrogen 3.229 N/A GLN 300.A N ASN 297.A O no hydrogen 2.957 N/A ALA 301.A N ASN 297.A O no hydrogen 3.099 N/A ASN 302.A N LEU 298.A O no hydrogen 3.098 N/A