Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cxb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 THR 2.A O no hydrogen 2.586 N/A LYS 3.A NZ ASP 27.A OD2 no hydrogen 2.609 N/A LYS 8.A N GLU 4.A O no hydrogen 2.855 N/A LYS 8.A NZ ASN 1.A OD1 no hydrogen 3.219 N/A VAL 9.A N ALA 5.A O no hydrogen 3.213 N/A LEU 10.A N TRP 6.A O no hydrogen 3.033 N/A TRP 11.A N TRP 7.A O no hydrogen 2.660 N/A GLU 12.A N LYS 8.A O no hydrogen 3.020 N/A LYS 13.A N LEU 10.A O no hydrogen 3.071 N/A ILE 14.A N LEU 10.A O no hydrogen 2.934 N/A ILE 14.A N TRP 11.A O no hydrogen 3.271 N/A LYS 15.A N TRP 11.A O no hydrogen 2.632 N/A LYS 15.A NZ GLU 12.A OE2 no hydrogen 2.693 N/A PHE 17.A N ILE 14.A O no hydrogen 2.668 N/A LYS 23.A N SER 20.A O no hydrogen 3.281 N/A ALA 26.A N GLY 22.A O no hydrogen 2.920 N/A ASP 27.A N LYS 23.A O no hydrogen 2.813 N/A ARG 28.A N ALA 24.A O no hydrogen 3.215 N/A CYS 29.A N LYS 25.A O no hydrogen 2.977 N/A CYS 29.A SG LYS 25.A O no hydrogen 3.381 N/A CYS 29.A SG GLU 51.A OE1 no hydrogen 3.812 N/A LEU 30.A N ALA 26.A O no hydrogen 3.148 N/A HIS 31.A N ASP 27.A O no hydrogen 3.054 N/A GLU 32.A N ARG 28.A O no hydrogen 2.899 N/A MET 33.A N CYS 29.A O no hydrogen 2.835 N/A LEU 34.A N LEU 30.A O no hydrogen 2.799 N/A PHE 35.A N HIS 31.A O no hydrogen 2.838 N/A ARG 42.A NE ASP 113.A OD1 no hydrogen 3.421 N/A ARG 42.A NE ASP 113.A OD2 no hydrogen 2.696 N/A ARG 42.A NH1 ASN 95.A O no hydrogen 3.052 N/A ARG 42.A NH2 ASN 95.A O no hydrogen 3.418 N/A ARG 42.A NH2 ASP 113.A OD1 no hydrogen 2.844 N/A ARG 44.A NE GLU 32.A OE1 no hydrogen 2.598 N/A ARG 44.A NH1 GLU 32.A OE1 no hydrogen 3.383 N/A ARG 44.A NH1 GLU 32.A OE2 no hydrogen 2.773 N/A ARG 44.A NH2 GLU 47.A OE2 no hydrogen 2.727 N/A ARG 44.A NH2 GLU 51.A OE2 no hydrogen 2.815 N/A LEU 45.A N THR 41.A O no hydrogen 2.735 N/A THR 46.A N ARG 42.A O no hydrogen 2.914 N/A THR 46.A OG1 GLU 43.A O no hydrogen 2.819 N/A THR 46.A OG1 GLU 43.A OE2 no hydrogen 3.384 N/A THR 46.A OG1 TYR 138.A OH no hydrogen 2.540 N/A GLU 47.A N GLU 43.A O no hydrogen 3.120 N/A ILE 48.A N ARG 44.A O no hydrogen 3.098 N/A PHE 49.A N LEU 45.A O no hydrogen 3.257 N/A PHE 50.A N THR 46.A O no hydrogen 3.322 N/A GLU 51.A N GLU 47.A O no hydrogen 2.893 N/A LEU 52.A N ILE 48.A O no hydrogen 3.045 N/A LYS 53.A N PHE 49.A O no hydrogen 2.989 N/A LYS 53.A NZ ASP 137.A OD1 no hydrogen 2.796 N/A GLU 54.A N PHE 50.A O no hydrogen 2.733 N/A LEU 55.A N GLU 51.A O no hydrogen 2.858 N/A ALA 56.A N LEU 52.A O no hydrogen 2.944 N/A ALA 56.A N LYS 53.A O no hydrogen 3.220 N/A CYS 57.A N PHE 17.A O no hydrogen 3.086 N/A GLN 60.A N CYS 57.A O no hydrogen 3.037 N/A ARG 61.A N ALA 58.A O no hydrogen 3.197 N/A ARG 61.A NE ALA 56.A O no hydrogen 2.865 N/A ARG 61.A NH2 ALA 56.A O no hydrogen 3.348 N/A ARG 63.A N GLN 60.A O no hydrogen 2.868 N/A ARG 63.A NE ASP 62.A OD1 no hydrogen 2.569 N/A ARG 63.A NH1 ASP 62.A OD1 no hydrogen 2.695 N/A ARG 63.A NH2 ASP 82.A O no hydrogen 2.951 N/A PHE 64.A N ARG 61.A O no hydrogen 3.096 N/A GLN 65.A N ARG 79.A O no hydrogen 3.012 N/A GLN 65.A NE2 ASP 62.A O no hydrogen 3.621 N/A HIS 67.A N ILE 77.A O no hydrogen 3.120 N/A ASN 68.A ND2 THR 75.A O no hydrogen 2.905 N/A ASN 68.A ND2 ARG 130.A O no hydrogen 3.142 N/A GLU 71.A N ASN 68.A O no hydrogen 2.784 N/A ASN 72.A N PRO 69.A O no hydrogen 2.601 N/A THR 75.A N ASN 72.A O no hydrogen 2.847 N/A ILE 76.A N GLN 94.A O no hydrogen 2.990 N/A ILE 77.A N HIS 67.A O no hydrogen 3.000 N/A LEU 78.A N ILE 92.A O no hydrogen 2.733 N/A ARG 79.A N GLN 65.A O no hydrogen 2.908 N/A ARG 79.A NH2 GLU 88.A OE1 no hydrogen 3.102 N/A ILE 80.A N LEU 90.A O no hydrogen 2.952 N/A MET 81.A N ARG 63.A O no hydrogen 2.962 N/A GLN 83.A N ASP 82.A OD1 no hydrogen 2.507 N/A GLU 85.A N ASP 82.A O no hydrogen 2.793 N/A LEU 89.A N ILE 80.A O no hydrogen 2.810 N/A LEU 90.A N ILE 80.A O no hydrogen 3.301 N/A ARG 91.A N GLU 102.A O no hydrogen 2.987 N/A ARG 91.A NH2 GLU 88.A OE2 no hydrogen 3.331 N/A ILE 92.A N LEU 78.A O no hydrogen 2.731 N/A THR 93.A N SER 100.A O no hydrogen 3.065 N/A THR 93.A OG1 SER 100.A OG no hydrogen 2.665 N/A GLN 94.A N ILE 76.A O no hydrogen 2.735 N/A ASN 95.A N THR 98.A O no hydrogen 2.954 N/A PHE 99.A N MET 111.A O no hydrogen 3.206 N/A SER 100.A N THR 93.A O no hydrogen 2.931 N/A SER 100.A OG THR 93.A OG1 no hydrogen 2.665 N/A CYS 101.A N PHE 109.A O no hydrogen 3.146 N/A CYS 101.A SG ARG 91.A O no hydrogen 3.611 N/A CYS 101.A SG GLU 102.A O no hydrogen 3.966 N/A GLU 102.A N ARG 91.A O no hydrogen 2.705 N/A VAL 103.A N ASN 106.A O no hydrogen 2.770 N/A MET 104.A N LEU 89.A O no hydrogen 2.927 N/A ASN 106.A N VAL 103.A O no hydrogen 3.081 N/A ASN 106.A ND2 VAL 103.A O no hydrogen 2.630 N/A TYR 108.A N CYS 101.A O no hydrogen 2.752 N/A MET 111.A N PHE 99.A O no hydrogen 2.994 N/A ASP 113.A N ASP 97.A O no hydrogen 3.232 N/A ILE 117.A N ALA 126.A O no hydrogen 2.841 N/A LEU 118.A N ASP 116.A OD2 no hydrogen 2.996 N/A LYS 119.A NZ ARG 114.A O no hydrogen 2.682 N/A SER 120.A OG GLU 264.A OE1 no hydrogen 3.044 N/A SER 120.A OG GLU 264.A OE2 no hydrogen 2.921 N/A HIS 121.A N LEU 118.A O no hydrogen 3.140 N/A THR 125.A N ASN 147.A O no hydrogen 3.511 N/A ALA 126.A N ASP 116.A OD2 no hydrogen 3.093 N/A MET 127.A N CYS 145.A O no hydrogen 2.742 N/A LYS 129.A N THR 143.A O no hydrogen 2.951 N/A ARG 130.A NH1 GLN 272.A OE1 no hydrogen 3.262 N/A ARG 130.A NH2 GLN 272.A OE1 no hydrogen 2.587 N/A ARG 131.A N LEU 140.A O no hydrogen 3.374 N/A TYR 132.A OH ASP 137.A OD1 no hydrogen 2.881 N/A SER 133.A N TYR 138.A O no hydrogen 2.981 N/A SER 133.A OG GLU 162.A OE2 no hydrogen 2.592 N/A VAL 136.A N SER 133.A O no hydrogen 3.188 N/A TYR 138.A N SER 133.A O no hydrogen 3.204 N/A LEU 140.A N ARG 131.A O no hydrogen 3.237 N/A SER 142.A N LYS 129.A O no hydrogen 3.008 N/A SER 142.A OG ASP 73.A OD1 no hydrogen 2.618 N/A SER 142.A OG ASP 73.A OD2 no hydrogen 3.253 N/A THR 143.A OG1 ASP 73.A OD2 no hydrogen 2.424 N/A LEU 144.A N VAL 156.A O no hydrogen 2.961 N/A CYS 145.A N MET 127.A O no hydrogen 2.887 N/A LEU 146.A N LEU 154.A O no hydrogen 3.076 N/A ASN 147.A N THR 125.A O no hydrogen 2.887 N/A LEU 154.A N LEU 146.A O no hydrogen 3.038 N/A LEU 158.A N SER 142.A O no hydrogen 2.529 N/A ILE 161.A N LEU 158.A O no hydrogen 3.281 N/A GLY 163.A N ASN 160.A O no hydrogen 3.008 N/A LEU 165.A N GLU 162.A O no hydrogen 3.114 N/A TYR 166.A N GLU 162.A O no hydrogen 3.175 N/A THR 167.A N GLY 163.A O no hydrogen 2.720 N/A LEU 169.A N TYR 166.A O no hydrogen 3.119 N/A LEU 174.A N GLU 168.A O no hydrogen 2.692 N/A GLY 176.A N HIS 173.A O no hydrogen 2.966 N/A LYS 178.A N LEU 174.A O no hydrogen 3.185 N/A ALA 179.A N GLY 176.A O no hydrogen 2.945 N/A GLN 180.A NE2 THR 184.A OG1 no hydrogen 2.833 N/A GLU 181.A N TRP 177.A O no hydrogen 2.841 N/A LYS 182.A N LYS 178.A O no hydrogen 3.079 N/A THR 184.A N GLN 180.A O no hydrogen 2.891 N/A THR 184.A OG1 GLN 180.A O no hydrogen 3.315 N/A TYR 185.A N GLU 181.A O no hydrogen 2.856 N/A TYR 185.A OH ASP 271.A OD2 no hydrogen 2.552 N/A LEU 186.A N LYS 182.A O no hydrogen 3.356 N/A ALA 187.A N ALA 183.A O no hydrogen 2.871 N/A ALA 188.A N THR 184.A O no hydrogen 3.041 N/A LYS 189.A N TYR 185.A O no hydrogen 3.003 N/A LYS 189.A NZ ASP 271.A OD2 no hydrogen 3.200 N/A ILE 190.A N LEU 186.A O no hydrogen 2.859 N/A GLN 191.A N ALA 187.A O no hydrogen 2.915 N/A SER 192.A N ALA 188.A O no hydrogen 3.000 N/A SER 192.A OG ALA 188.A O no hydrogen 2.922 N/A GLY 193.A N LYS 189.A O no hydrogen 3.049 N/A ILE 194.A N ILE 190.A O no hydrogen 3.223 N/A GLU 195.A N GLN 191.A O no hydrogen 2.959 N/A LYS 196.A N SER 192.A O no hydrogen 2.719 N/A THR 197.A N GLY 193.A O no hydrogen 3.062 N/A THR 197.A OG1 GLY 193.A O no hydrogen 3.139 N/A THR 198.A N ILE 194.A O no hydrogen 3.038 N/A THR 198.A OG1 ILE 194.A O no hydrogen 2.945 N/A ARG 199.A N GLU 195.A O no hydrogen 3.210 N/A ILE 200.A N LYS 196.A O no hydrogen 3.314 N/A LEU 201.A N THR 197.A O no hydrogen 3.003 N/A HIS 202.A N ARG 199.A O no hydrogen 2.814 N/A HIS 202.A ND1 HIS 202.A O no hydrogen 2.553 N/A ALA 204.A N LEU 201.A O no hydrogen 2.619 N/A SER 207.A OG THR 210.A OG1 no hydrogen 2.698 N/A THR 210.A N SER 207.A OG no hydrogen 3.235 N/A THR 210.A OG1 SER 207.A OG no hydrogen 2.698 N/A GLN 211.A N SER 207.A O no hydrogen 3.190 N/A GLN 211.A NE2 ILE 206.A O no hydrogen 2.869 N/A GLN 211.A NE2 SER 207.A O no hydrogen 3.449 N/A GLN 212.A N GLU 208.A O no hydrogen 3.150 N/A GLN 212.A N SER 209.A O no hydrogen 2.629 N/A ASN 213.A N SER 209.A O no hydrogen 2.775 N/A ALA 214.A N THR 210.A O no hydrogen 2.775 N/A PHE 215.A N GLN 211.A O no hydrogen 3.270 N/A LEU 216.A N GLN 212.A O no hydrogen 2.928 N/A GLU 217.A N ASN 213.A O no hydrogen 2.835 N/A THR 218.A N ALA 214.A O no hydrogen 2.862 N/A MET 219.A N PHE 215.A O no hydrogen 3.161 N/A ALA 220.A N LEU 216.A O no hydrogen 2.920 N/A MET 221.A N GLU 217.A O no hydrogen 2.908 N/A CYS 222.A N THR 218.A O no hydrogen 3.060 N/A CYS 222.A SG THR 218.A O no hydrogen 3.213 N/A GLY 223.A N ALA 220.A O no hydrogen 2.697 N/A HIS 235.A N HIS 233.A O no hydrogen 2.601 N/A ILE 238.A N GLU 181.A OE1 no hydrogen 3.408 N/A MET 241.A N PRO 237.A O no hydrogen 2.701 N/A VAL 242.A N ILE 238.A O no hydrogen 2.747 N/A LYS 243.A N GLU 239.A O no hydrogen 2.745 N/A GLU 244.A N LYS 240.A O no hydrogen 3.139 N/A VAL 245.A N MET 241.A O no hydrogen 3.529 N/A LEU 246.A N VAL 242.A O no hydrogen 3.141 N/A LEU 247.A N LYS 243.A O no hydrogen 3.479 N/A ALA 248.A N GLU 244.A O no hydrogen 3.053 N/A ASP 249.A N LEU 246.A O no hydrogen 2.782 N/A THR 251.A OG1 ASP 249.A OD2 no hydrogen 2.260 N/A SER 258.A OG SER 256.A O no hydrogen 2.905 N/A LEU 262.A N SER 258.A O no hydrogen 2.794 N/A GLU 264.A N SER 260.A O no hydrogen 3.094 N/A GLU 264.A N MET 261.A O no hydrogen 3.221 N/A ILE 265.A N MET 261.A O no hydrogen 2.935 N/A VAL 266.A N LEU 262.A O no hydrogen 3.235 N/A GLU 267.A N ALA 263.A O no hydrogen 3.232 N/A ALA 268.A N GLU 264.A O no hydrogen 2.883 N/A ILE 269.A N ILE 265.A O no hydrogen 3.004 N/A SER 270.A N VAL 266.A O no hydrogen 2.845 N/A SER 270.A OG VAL 266.A O no hydrogen 2.974 N/A ASP 271.A N GLU 267.A O no hydrogen 2.992 N/A GLN 272.A N ALA 268.A O no hydrogen 3.222 N/A VAL 273.A N ILE 269.A O no hydrogen 2.840 N/A PHE 274.A N SER 270.A O no hydrogen 2.692 N/A HIS 275.A N ASP 271.A O no hydrogen 2.639 N/A HIS 275.A NE2 GLU 47.A OE1 no hydrogen 2.856 N/A ALA 276.A N GLN 272.A O no hydrogen 2.737 N/A ILE 277.A N VAL 273.A O no hydrogen 2.992 N/A PHE 278.A N PHE 274.A O no hydrogen 2.879 N/A ARG 279.A N HIS 275.A O no hydrogen 2.805 N/A ARG 279.A NE HIS 275.A O no hydrogen 3.431 N/A ARG 279.A NH1 VAL 136.A O no hydrogen 3.330 N/A ARG 279.A NH1 ALA 276.A O no hydrogen 2.838 N/A GLN 283.A N ASP 281.A OD2 no hydrogen 3.087 N/A GLN 283.A NE2 ASP 271.A OD1 no hydrogen 3.202 N/A ALA 284.A N ASP 281.A O no hydrogen 2.873 N/A ILE 285.A N ASP 281.A O no hydrogen 3.174 N/A GLN 286.A N PRO 282.A O no hydrogen 3.195 N/A GLN 286.A NE2 LYS 189.A O no hydrogen 3.643 N/A LYS 287.A N GLN 283.A O no hydrogen 3.016 N/A MET 288.A N ALA 284.A O no hydrogen 3.097 N/A ALA 289.A N ILE 285.A O no hydrogen 2.967 N/A GLU 290.A N GLN 286.A O no hydrogen 2.994 N/A GLU 291.A N LYS 287.A O no hydrogen 2.827 N/A GLN 292.A N MET 288.A O no hydrogen 2.859 N/A GLN 292.A N ALA 289.A O no hydrogen 3.012 N/A LEU 293.A N ALA 289.A O no hydrogen 3.056 N/A THR 294.A N GLU 290.A O no hydrogen 3.195 N/A THR 294.A OG1 GLU 290.A O no hydrogen 3.438 N/A THR 294.A OG1 GLU 291.A O no hydrogen 2.970 N/A THR 295.A N GLU 291.A O no hydrogen 2.909 N/A LEU 296.A N GLN 292.A O no hydrogen 2.716 N/A HIS 297.A N LEU 293.A O no hydrogen 2.987 N/A VAL 298.A N THR 294.A O no hydrogen 2.997 N/A ARG 299.A N LEU 296.A O no hydrogen 2.716 N/A SER 300.A N LEU 296.A O no hydrogen 3.019 N/A SER 300.A OG HIS 297.A O no hydrogen 2.819 N/A GLN 302.A N ARG 299.A O no hydrogen 3.392 N/A