Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n44_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 ASP 57.A O no hydrogen 2.803 N/A ALA 8.A N VAL 5.A O no hydrogen 3.381 N/A THR 9.A OG1 VAL 5.A O no hydrogen 3.541 N/A TYR 12.A N SER 48.A O no hydrogen 3.073 N/A TYR 12.A OH GLU 32.A OE2 no hydrogen 2.822 N/A ALA 14.A N SER 27.A O no hydrogen 3.272 N/A CYS 16.A N CYS 25.A O no hydrogen 3.191 N/A CYS 16.A SG ASP 18.A O no hydrogen 3.315 N/A CYS 19.A N HIS 23.A O no hydrogen 2.971 N/A GLY 20.A N ASP 18.A OD2 no hydrogen 3.086 N/A GLY 22.A N ASP 18.A OD2 no hydrogen 3.159 N/A SER 24.A OG CYS 16.A O no hydrogen 3.001 N/A CYS 25.A N CYS 16.A O no hydrogen 3.349 N/A SER 27.A N ALA 14.A O no hydrogen 2.890 N/A VAL 29.A N SER 27.A OG no hydrogen 3.099 N/A ALA 30.A N SER 48.A OG no hydrogen 3.126 N/A GLU 32.A N GLN 46.A O no hydrogen 2.812 N/A ARG 35.A N LYS 44.A O no hydrogen 2.784 N/A ARG 35.A NE GLU 37.A OE1 no hydrogen 2.797 N/A ARG 35.A NE GLU 37.A OE2 no hydrogen 3.173 N/A ARG 35.A NH1 GLU 162.A OE1 no hydrogen 2.758 N/A ARG 35.A NH2 GLU 37.A OE1 no hydrogen 2.928 N/A ARG 35.A NH2 GLU 162.A OE1 no hydrogen 3.216 N/A ARG 35.A NH2 GLU 162.A OE2 no hydrogen 2.928 N/A GLU 37.A N TYR 153.A OH no hydrogen 3.167 N/A THR 39.A N SER 151.A OG no hydrogen 2.973 N/A THR 39.A OG1 SER 151.A OG no hydrogen 3.281 N/A ASP 40.A N SER 151.A O no hydrogen 3.269 N/A GLY 41.A N ALA 38.A O no hydrogen 3.485 N/A THR 42.A N ASP 40.A OD1 no hydrogen 3.284 N/A THR 42.A OG1 ASP 40.A OD1 no hydrogen 3.022 N/A THR 42.A OG1 ASP 40.A OD2 no hydrogen 2.879 N/A THR 42.A OG1 THR 152.A OG1 no hydrogen 3.373 N/A LEU 43.A N ALA 100.A O no hydrogen 3.139 N/A LYS 44.A N ARG 35.A O no hydrogen 2.893 N/A LYS 44.A NZ GLU 162.A OE1 no hydrogen 2.713 N/A LYS 44.A NZ PRO 255.A O no hydrogen 2.854 N/A LYS 44.A NZ PHE 256.A O no hydrogen 2.758 N/A ILE 45.A N ILE 98.A O no hydrogen 2.859 N/A GLN 46.A N ARG 33.A O no hydrogen 2.899 N/A VAL 47.A N.A HIS 96.A O no hydrogen 2.792 N/A VAL 47.A N.B HIS 96.A O no hydrogen 2.798 N/A SER 48.A N ALA 30.A O no hydrogen 3.001 N/A SER 48.A OG TYR 12.A O no hydrogen 3.151 N/A SER 48.A OG SER 27.A O no hydrogen 3.560 N/A SER 48.A OG PRO 28.A O no hydrogen 2.949 N/A GLN 50.A N ARG 65.A O no hydrogen 2.959 N/A GLN 50.A NE2 THR 9.A OG1 no hydrogen 3.318 N/A GLN 50.A NE2 HIS 96.A NE2 no hydrogen 3.155 N/A ILE 51.A N GLY 95.A O no hydrogen 2.833 N/A GLY 52.A N LYS 63.A O no hydrogen 3.062 N/A LYS 54.A N SER 58.A O no hydrogen 2.863 N/A THR 55.A N ASP 74.A OD1 no hydrogen 3.137 N/A THR 55.A OG1 ASP 74.A OD2 no hydrogen 3.083 N/A ASP 57.A N LYS 54.A O no hydrogen 2.993 N/A SER 58.A N ASP 56.A OD1 no hydrogen 3.293 N/A SER 58.A OG ASP 56.A OD1 no hydrogen 2.616 N/A HIS 59.A NE2 ASN 4.A OD1 no hydrogen 2.937 N/A ASP 60.A N GLY 52.A O no hydrogen 2.872 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.694 N/A LYS 63.A N ASP 60.A O no hydrogen 3.071 N/A LYS 63.A NZ GLU 76.A OE2 no hydrogen 2.832 N/A LEU 64.A N ALA 75.A O no hydrogen 2.775 N/A ARG 65.A N GLN 50.A O no hydrogen 2.799 N/A ARG 65.A NE GLN 50.A OE1 no hydrogen 2.819 N/A ARG 65.A NH1 LYS 54.A O no hydrogen 3.007 N/A ARG 65.A NH1 ASP 57.A OD1 no hydrogen 2.932 N/A ARG 65.A NH2 TYR 6.A O no hydrogen 2.625 N/A ARG 65.A NH2 GLN 50.A OE1 no hydrogen 2.765 N/A TYR 66.A N ALA 73.A O no hydrogen 3.069 N/A TYR 66.A OH ASP 68.A OD2 no hydrogen 2.813 N/A ASP 68.A N MET 71.A O no hydrogen 2.966 N/A ALA 73.A N TYR 66.A O no hydrogen 2.789 N/A ALA 75.A N LEU 64.A O no hydrogen 2.702 N/A ARG 77.A N THR 62.A O no hydrogen 2.976 N/A ARG 77.A NH1 ARG 77.A O no hydrogen 3.103 N/A GLY 79.A N GLU 76.A O no hydrogen 3.370 N/A LEU 80.A N ARG 77.A O no hydrogen 3.121 N/A PHE 81.A N GLY 111.A O no hydrogen 2.790 N/A ARG 83.A N THR 109.A O no hydrogen 2.809 N/A THR 84.A N ALA 86.A O no hydrogen 3.382 N/A THR 84.A OG1 PRO 103.A O no hydrogen 3.097 N/A SER 85.A OG LYS 104.A O no hydrogen 2.819 N/A CYS 88.A N VAL 82.A O no hydrogen 2.769 N/A THR 89.A N ARG 101.A O no hydrogen 3.163 N/A THR 91.A N LEU 99.A O no hydrogen 2.804 N/A THR 91.A OG1 LEU 99.A O no hydrogen 3.249 N/A GLY 92.A N LEU 99.A O no hydrogen 3.464 N/A MET 94.A N PHE 97.A O no hydrogen 3.165 N/A GLY 95.A N ILE 51.A O no hydrogen 2.748 N/A HIS 96.A ND1 VAL 47.A O.A no hydrogen 2.773 N/A HIS 96.A ND1 VAL 47.A O.B no hydrogen 2.790 N/A PHE 97.A N MET 94.A O no hydrogen 3.263 N/A ILE 98.A N ILE 45.A O no hydrogen 2.888 N/A LEU 99.A N GLY 92.A O no hydrogen 2.755 N/A ALA 100.A N LEU 43.A O no hydrogen 3.241 N/A ARG 101.A N THR 89.A O no hydrogen 3.020 N/A ARG 101.A NH1 ASP 40.A O no hydrogen 3.346 N/A ARG 101.A NH1 ASP 40.A OD2 no hydrogen 3.316 N/A ARG 101.A NH2 ASP 40.A O no hydrogen 2.815 N/A GLY 105.A N HIS 128.A O no hydrogen 3.181 N/A LEU 108.A N HIS 124.A O no hydrogen 2.861 N/A THR 109.A N ARG 83.A O no hydrogen 2.753 N/A THR 109.A OG1 THR 123.A OG1 no hydrogen 2.932 N/A VAL 110.A N CYS 122.A O no hydrogen 3.197 N/A GLY 111.A N PHE 81.A O no hydrogen 2.827 N/A PHE 112.A N HIS 120.A O no hydrogen 2.959 N/A THR 113.A OG1 SER 119.A OG no hydrogen 3.254 N/A ASP 114.A N ILE 118.A O no hydrogen 3.188 N/A SER 115.A OG ASP 74.A O no hydrogen 2.747 N/A ARG 116.A N ASP 114.A OD2 no hydrogen 2.799 N/A LYS 117.A N ASP 114.A O no hydrogen 3.344 N/A SER 119.A OG THR 113.A OG1 no hydrogen 3.254 N/A HIS 120.A N PHE 112.A O no hydrogen 2.992 N/A HIS 120.A NE2 ASP 114.A OD1 no hydrogen 2.771 N/A SER 121.A OG CYS 19.A O no hydrogen 3.243 N/A CYS 122.A N VAL 110.A O no hydrogen 3.118 N/A THR 123.A N ASP 18.A O no hydrogen 2.725 N/A THR 123.A OG1 THR 109.A OG1 no hydrogen 2.932 N/A HIS 124.A N LEU 108.A O no hydrogen 3.028 N/A HIS 127.A ND1 GLU 106.A OE2 no hydrogen 2.770 N/A HIS 128.A N GLY 105.A O no hydrogen 2.969 N/A HIS 128.A NE2 CYS 102.A O no hydrogen 2.807 N/A ARG 135.A N ASN 329.A OD1 no hydrogen 2.924 N/A ARG 135.A NE GLY 328.A O no hydrogen 2.845 N/A ARG 135.A NH2 SER 293.A OG no hydrogen 2.761 N/A LYS 137.A N PRO 289.A O no hydrogen 2.801 N/A LYS 146.A N VAL 265.A O no hydrogen 2.965 N/A LEU 148.A N CYS 263.A O no hydrogen 3.001 N/A CYS 150.A N VAL 261.A O no hydrogen 3.088 N/A SER 151.A N THR 39.A OG1 no hydrogen 2.813 N/A SER 151.A OG GLU 37.A O no hydrogen 3.499 N/A SER 151.A OG THR 39.A OG1 no hydrogen 3.281 N/A THR 152.A N ALA 259.A O no hydrogen 3.213 N/A THR 152.A OG1 ASP 40.A OD1 no hydrogen 3.186 N/A THR 152.A OG1 ASP 40.A OD2 no hydrogen 2.784 N/A THR 152.A OG1 THR 42.A OG1 no hydrogen 3.373 N/A TYR 153.A OH GLU 37.A OE1 no hydrogen 2.777 N/A VAL 154.A N PRO 257.A O no hydrogen 3.266 N/A GLN 155.A NE2 THR 91.A O no hydrogen 2.790 N/A ILE 164.A N ILE 252.A O no hydrogen 3.071 N/A VAL 166.A N GLY 250.A O no hydrogen 2.815 N/A HIS 167.A N GLN 233.A O no hydrogen 2.736 N/A THR 172.A N VAL 226.A O no hydrogen 2.853 N/A ASP 174.A N ALA 224.A O no hydrogen 3.048 N/A THR 176.A OG1 ASP 174.A OD1 no hydrogen 2.710 N/A THR 176.A OG1 ASP 174.A OD2 no hydrogen 3.065 N/A LEU 177.A N ASP 174.A O no hydrogen 3.484 N/A MET 178.A N ARG 175.A O no hydrogen 3.225 N/A SER 179.A N LYS 186.A O no hydrogen 2.990 N/A SER 179.A OG LYS 186.A O no hydrogen 3.412 N/A GLN 180.A NE2 CYS 217.A O no hydrogen 2.833 N/A GLN 181.A N ASN 184.A O no hydrogen 2.685 N/A ASN 184.A N GLN 181.A O no hydrogen 2.733 N/A VAL 185.A N ILE 214.A O no hydrogen 3.059 N/A LYS 186.A N SER 179.A O no hydrogen 2.868 N/A ILE 187.A N LYS 212.A O no hydrogen 2.802 N/A THR 188.A N LEU 177.A O no hydrogen 2.861 N/A VAL 189.A N ASP 211.A OD1 no hydrogen 2.969 N/A GLN 192.A N VAL 189.A O no hydrogen 3.342 N/A VAL 194.A N THR 208.A O no hydrogen 2.721 N/A ARG 195.A N ALA 225.A O no hydrogen 2.993 N/A ARG 195.A NE ASP 171.A OD2 no hydrogen 2.775 N/A TYR 196.A N GLY 206.A O no hydrogen 2.991 N/A LYS 197.A N HIS 223.A O no hydrogen 3.031 N/A LYS 197.A NZ GLU 205.A OE2 no hydrogen 3.181 N/A ASN 199.A N GLN 221.A O no hydrogen 2.693 N/A CYS 200.A SG ASN 216.A O no hydrogen 4.026 N/A CYS 200.A SG GLN 221.A OE1 no hydrogen 3.964 N/A GLY 206.A N TYR 196.A O no hydrogen 3.175 N/A THR 208.A N VAL 194.A O no hydrogen 2.768 N/A THR 208.A OG1 THR 210.A O.A no hydrogen 2.892 N/A THR 208.A OG1 THR 210.A O.B no hydrogen 2.852 N/A THR 210.A N.A THR 208.A OG1 no hydrogen 3.142 N/A THR 210.A N.B THR 208.A OG1 no hydrogen 3.138 N/A THR 210.A OG1.A THR 208.A OG1 no hydrogen 3.132 N/A LYS 212.A N ILE 187.A O no hydrogen 3.282 N/A LYS 212.A NZ THR 208.A OG1 no hydrogen 3.094 N/A ILE 214.A N VAL 185.A O no hydrogen 2.744 N/A ASN 216.A N ASN 184.A OD1 no hydrogen 2.797 N/A CYS 217.A SG LYS 218.A O no hydrogen 3.762 N/A VAL 219.A N GLN 180.A OE1 no hydrogen 2.990 N/A GLN 221.A N LYS 218.A O no hydrogen 3.134 N/A CYS 222.A N VAL 219.A O no hydrogen 3.266 N/A CYS 222.A SG LYS 218.A O no hydrogen 3.833 N/A HIS 223.A N LYS 197.A O no hydrogen 2.862 N/A ALA 225.A N ARG 195.A O no hydrogen 3.025 N/A VAL 226.A N THR 172.A O no hydrogen 2.686 N/A THR 227.A N THR 193.A O no hydrogen 2.904 N/A THR 227.A OG1 ASP 171.A OD1 no hydrogen 3.186 N/A LYS 230.A N ASN 228.A OD1 no hydrogen 3.459 N/A LYS 231.A NZ LYS 7.A O no hydrogen 2.969 N/A TRP 232.A N ALA 8.A O no hydrogen 2.706 N/A GLN 233.A N HIS 167.A O no hydrogen 2.734 N/A ASN 235.A N GLU 165.A O no hydrogen 2.797 N/A ASN 235.A ND2 GLU 165.A OE1 no hydrogen 2.982 N/A SER 236.A N TYR 234.A O no hydrogen 2.716 N/A SER 236.A OG GLU 32.A OE1 no hydrogen 3.129 N/A SER 236.A OG GLU 32.A OE2 no hydrogen 2.694 N/A LEU 238.A N SER 236.A OG no hydrogen 3.102 N/A VAL 239.A N SER 236.A O no hydrogen 3.312 N/A ASN 242.A ND2 PRO 169.A O no hydrogen 2.956 N/A LEU 245.A N ASN 242.A OD1 no hydrogen 3.232 N/A LYS 249.A NZ GLU 165.A OE1 no hydrogen 2.988 N/A GLY 250.A N VAL 166.A O no hydrogen 2.593 N/A ILE 252.A N ILE 164.A O no hydrogen 3.113 N/A HIS 253.A ND1 GLU 162.A O no hydrogen 3.269 N/A ILE 254.A N GLU 162.A O no hydrogen 2.976 N/A LEU 258.A N GLU 162.A OE2 no hydrogen 3.207 N/A ALA 259.A N THR 152.A O no hydrogen 2.907 N/A VAL 261.A N CYS 150.A O no hydrogen 2.789 N/A THR 262.A OG1 GLU 147.A OE2 no hydrogen 3.211 N/A CYS 263.A N LEU 148.A O no hydrogen 2.853 N/A VAL 265.A N LYS 146.A O no hydrogen 3.110 N/A ALA 268.A N GLU 136.A OE2 no hydrogen 3.045 N/A THR 274.A N ILE 281.A O no hydrogen 2.963 N/A GLY 276.A N GLN 279.A O no hydrogen 3.044 N/A GLN 279.A N GLY 276.A O no hydrogen 3.481 N/A VAL 280.A N LEU 316.A O no hydrogen 2.671 N/A ILE 281.A N THR 274.A O no hydrogen 3.003 N/A MET 282.A N VAL 314.A O no hydrogen 3.026 N/A LEU 283.A N THR 272.A O no hydrogen 3.023 N/A LEU 284.A N LYS 312.A O no hydrogen 2.766 N/A HIS 288.A NE2 GLU 136.A OE1 no hydrogen 2.791 N/A THR 290.A N VAL 308.A O no hydrogen 3.087 N/A THR 290.A OG1 HIS 288.A O no hydrogen 2.925 N/A LEU 291.A N ARG 135.A O no hydrogen 2.895 N/A LEU 292.A N GLU 306.A O no hydrogen 2.783 N/A SER 293.A N THR 326.A O no hydrogen 3.047 N/A TYR 294.A N GLN 304.A O no hydrogen 3.103 N/A ARG 295.A N GLU 324.A O no hydrogen 3.084 N/A ARG 295.A NE GLU 324.A OE1 no hydrogen 2.793 N/A ARG 295.A NH2 GLU 324.A OE1 no hydrogen 2.913 N/A ARG 295.A NH2 GLU 324.A OE2 no hydrogen 3.250 N/A ASN 296.A N PRO 301.A O no hydrogen 2.761 N/A ASN 296.A ND2 GLU 300.A O no hydrogen 3.461 N/A MET 297.A N.B GLY 322.A O no hydrogen 2.771 N/A MET 297.A O.B GLU 321.A O no hydrogen 3.669 N/A TYR 303.A OH GLU 305.A OE2 no hydrogen 2.888 N/A GLN 304.A N TYR 294.A O no hydrogen 3.191 N/A GLU 306.A N LEU 292.A O no hydrogen 2.905 N/A VAL 308.A N THR 290.A O no hydrogen 2.803 N/A LYS 312.A N LEU 284.A O no hydrogen 3.075 N/A LYS 312.A NZ GLU 306.A OE1 no hydrogen 2.844 N/A VAL 314.A N MET 282.A O no hydrogen 2.868 N/A LEU 316.A N VAL 280.A O no hydrogen 2.869 N/A VAL 318.A N ASN 278.A O no hydrogen 2.848 N/A GLY 322.A N PRO 319.A O no hydrogen 3.174 N/A LEU 323.A N TYR 335.A O no hydrogen 2.843 N/A GLU 324.A N ARG 295.A O no hydrogen 2.887 N/A VAL 325.A N TYR 333.A O no hydrogen 2.753 N/A THR 326.A N SER 293.A O no hydrogen 2.820 N/A GLY 328.A N LEU 291.A O no hydrogen 2.895 N/A ASN 329.A N GLU 136.A OE2 no hydrogen 2.801 N/A ASN 329.A ND2 PRO 266.A O no hydrogen 2.819 N/A ASN 330.A ND2 ALA 268.A O no hydrogen 2.748 N/A ASN 330.A ND2 TRP 327.A O no hydrogen 2.832 N/A TYR 333.A N VAL 325.A O no hydrogen 2.712 N/A TYR 333.A OH ASN 270.A OD1 no hydrogen 2.766 N/A TYR 335.A N LEU 323.A O no hydrogen 2.755 N/A TRP 336.A NE1 GLU 321.A O no hydrogen 3.059 N/A