Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5e8n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 3.237 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.895 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.000 N/A MET 5.A N CYS 101.A O no hydrogen 3.027 N/A ARG 6.A N TYR 27.A O no hydrogen 2.909 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.350 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.639 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.781 N/A TYR 7.A N SER 99.A O no hydrogen 2.869 N/A PHE 8.A N VAL 25.A O no hydrogen 2.787 N/A GLU 9.A N GLN 97.A O no hydrogen 2.983 N/A THR 10.A N ILE 23.A O no hydrogen 2.830 N/A ALA 11.A N LEU 95.A O no hydrogen 2.902 N/A VAL 12.A N ARG 21.A O no hydrogen 2.882 N/A SER 13.A N HIS 93.A O no hydrogen 2.979 N/A SER 13.A OG HIS 93.A O no hydrogen 3.463 N/A ARG 21.A N VAL 12.A O no hydrogen 2.859 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.026 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.501 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.866 N/A TYR 22.A N SER 38.A OG no hydrogen 2.902 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.602 N/A ILE 23.A N THR 10.A O no hydrogen 2.729 N/A SER 24.A N PHE 36.A O no hydrogen 2.741 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.889 N/A VAL 25.A N PHE 8.A O no hydrogen 2.794 N/A GLY 26.A N VAL 34.A O no hydrogen 2.872 N/A TYR 27.A N ARG 6.A O no hydrogen 2.747 N/A VAL 28.A N LYS 31.A O no hydrogen 3.034 N/A ASP 29.A N SER 4.A O no hydrogen 2.809 N/A LYS 31.A N VAL 28.A O no hydrogen 2.920 N/A PHE 33.A N GLY 26.A O no hydrogen 2.879 N/A ARG 35.A N GLU 46.A O no hydrogen 3.025 N/A ARG 35.A NE GLU 32.A OE2 no hydrogen 3.100 N/A ARG 35.A NH2 GLU 32.A OE1 no hydrogen 3.525 N/A PHE 36.A N SER 24.A O no hydrogen 2.846 N/A SER 38.A N TYR 22.A O no hydrogen 2.903 N/A SER 38.A OG TYR 22.A O no hydrogen 3.425 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.930 N/A ALA 40.A N ASP 37.A O no hydrogen 3.130 N/A GLU 41.A N GLU 41.A OE2 no hydrogen 2.583 N/A ARG 44.A NH2 GLU 61.A OE1 no hydrogen 3.542 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.116 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.889 N/A GLU 46.A N ARG 35.A O no hydrogen 2.766 N/A ARG 48.A N PHE 33.A O no hydrogen 2.942 N/A GLU 53.A N PRO 50.A O no hydrogen 3.121 N/A GLN 54.A N TRP 51.A O no hydrogen 3.230 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 3.052 N/A TYR 59.A N GLY 56.A O no hydrogen 3.128 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.951 N/A TRP 60.A N GLY 56.A O no hydrogen 3.330 N/A GLU 61.A N PRO 57.A O no hydrogen 2.988 N/A ARG 62.A N GLU 58.A O no hydrogen 3.095 N/A GLU 63.A N TYR 59.A O no hydrogen 2.800 N/A THR 64.A N TRP 60.A O no hydrogen 2.784 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.694 N/A GLN 65.A N GLU 61.A O no hydrogen 3.027 N/A LYS 66.A N ARG 62.A O no hydrogen 3.243 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.693 N/A ALA 67.A N GLU 63.A O no hydrogen 3.006 N/A LYS 68.A N THR 64.A O no hydrogen 3.096 N/A GLY 69.A N GLN 65.A O no hydrogen 3.101 N/A GLN 70.A N LYS 66.A O no hydrogen 2.544 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 2.657 N/A GLU 71.A N ALA 67.A O no hydrogen 2.524 N/A GLN 72.A N LYS 68.A O no hydrogen 3.061 N/A TRP 73.A N GLY 69.A O no hydrogen 2.560 N/A PHE 74.A N GLN 70.A O no hydrogen 2.517 N/A ARG 75.A N GLU 71.A O no hydrogen 2.862 N/A VAL 76.A N GLN 72.A O no hydrogen 3.048 N/A SER 77.A N TRP 73.A O no hydrogen 2.904 N/A SER 77.A OG TRP 73.A O no hydrogen 3.086 N/A LEU 78.A N PHE 74.A O no hydrogen 2.601 N/A ARG 79.A N ARG 75.A O no hydrogen 2.971 N/A ASN 80.A N VAL 76.A O no hydrogen 2.728 N/A LEU 81.A N SER 77.A O no hydrogen 2.714 N/A LEU 82.A N LEU 78.A O no hydrogen 3.180 N/A GLY 83.A N ARG 79.A O no hydrogen 3.351 N/A TYR 84.A N ASN 80.A O no hydrogen 2.704 N/A TYR 85.A N LEU 81.A O no hydrogen 2.798 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.327 N/A ASN 86.A N GLY 83.A O no hydrogen 3.048 N/A GLN 87.A N LEU 82.A O no hydrogen 2.957 N/A GLN 87.A NE2 GLU 119.A OE2 no hydrogen 3.505 N/A HIS 93.A N SER 13.A O no hydrogen 3.321 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.451 N/A THR 94.A N GLU 119.A OE1 no hydrogen 2.995 N/A LEU 95.A N ALA 11.A O no hydrogen 3.133 N/A GLN 96.A N ALA 117.A O no hydrogen 3.017 N/A GLN 97.A N GLU 9.A O no hydrogen 2.926 N/A MET 98.A N GLN 115.A O no hydrogen 2.933 N/A SER 99.A N TYR 7.A O no hydrogen 3.272 N/A GLY 100.A N TYR 113.A O no hydrogen 3.098 N/A CYS 101.A N MET 5.A O no hydrogen 3.119 N/A ASP 102.A N ARG 111.A O no hydrogen 2.865 N/A LEU 103.A N HIS 3.A O no hydrogen 2.767 N/A GLY 104.A N ARG 108.A O no hydrogen 3.047 N/A TRP 107.A N GLY 104.A O no hydrogen 2.806 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.670 N/A LEU 110.A N ASP 102.A O no hydrogen 2.798 N/A TYR 113.A N GLY 100.A O no hydrogen 2.838 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 3.095 N/A GLN 115.A N MET 98.A O no hydrogen 2.926 N/A PHE 116.A N ILE 124.A O no hydrogen 2.735 N/A ALA 117.A N GLN 96.A O no hydrogen 2.947 N/A TYR 118.A N ARG 121.A O no hydrogen 2.859 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.592 N/A GLU 119.A N THR 94.A O no hydrogen 2.941 N/A ARG 121.A N TYR 118.A O no hydrogen 3.061 N/A TYR 123.A N PHE 116.A O no hydrogen 2.901 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.851 N/A ILE 124.A N PHE 116.A O no hydrogen 3.404 N/A ALA 125.A N THR 134.A O no hydrogen 2.908 N/A LEU 126.A N LEU 114.A O no hydrogen 2.719 N/A ASN 127.A N THR 132.A O no hydrogen 2.838 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.785 N/A LEU 130.A N ASN 127.A O no hydrogen 2.713 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 3.016 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.173 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.243 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.888 N/A THR 134.A N ALA 125.A O no hydrogen 2.937 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.349 N/A ALA 140.A N ASP 137.A O no hydrogen 2.921 N/A GLN 141.A N MET 138.A O no hydrogen 3.399 N/A GLN 141.A NE2 ALA 135.A O no hydrogen 2.715 N/A GLN 141.A NE2 ALA 136.A O no hydrogen 3.467 N/A GLN 141.A NE2 ASP 137.A O no hydrogen 2.812 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.851 N/A ARG 144.A N ALA 140.A O no hydrogen 3.099 N/A ARG 145.A N GLN 141.A O no hydrogen 2.960 N/A LYS 146.A N ILE 142.A O no hydrogen 3.067 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 3.040 N/A TRP 147.A N THR 143.A O no hydrogen 2.864 N/A GLU 148.A N ARG 144.A O no hydrogen 2.859 N/A GLN 149.A N ARG 145.A O no hydrogen 2.793 N/A SER 150.A OG TRP 147.A O no hydrogen 3.357 N/A GLY 151.A N GLU 148.A O no hydrogen 2.759 N/A ALA 152.A N TRP 147.A O no hydrogen 3.233 N/A GLU 154.A N GLY 151.A O no hydrogen 3.200 N/A TYR 156.A N ALA 152.A O no hydrogen 3.189 N/A LYS 157.A N ALA 153.A O no hydrogen 2.581 N/A LYS 157.A NZ GLU 161.A OE1 no hydrogen 2.973 N/A LYS 157.A NZ GLU 161.A OE2 no hydrogen 3.374 N/A ALA 158.A N GLU 154.A O no hydrogen 2.795 N/A TYR 159.A N HIS 155.A O no hydrogen 2.901 N/A LEU 160.A N TYR 156.A O no hydrogen 2.871 N/A GLU 161.A N LYS 157.A O no hydrogen 3.012 N/A GLY 162.A N ALA 158.A O no hydrogen 2.425 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.710 N/A CYS 164.A N TYR 159.A O no hydrogen 2.867 N/A GLU 166.A N GLY 162.A O no hydrogen 2.859 N/A TRP 167.A N GLU 163.A O no hydrogen 2.425 N/A LEU 168.A N CYS 164.A O no hydrogen 2.991 N/A HIS 169.A N VAL 165.A O no hydrogen 2.882 N/A ARG 170.A N GLU 166.A O no hydrogen 2.928 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 2.886 N/A TYR 171.A N TRP 167.A O no hydrogen 3.108 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.951 N/A LEU 172.A N LEU 168.A O no hydrogen 2.953 N/A LYS 173.A N HIS 169.A O no hydrogen 3.319 N/A LYS 173.A N ARG 170.A O no hydrogen 3.266 N/A ASN 174.A N ARG 170.A O no hydrogen 3.415 N/A GLY 175.A N TYR 171.A O no hydrogen 3.340 N/A SER 180.A OG PRO 181.A O no hydrogen 3.371 N/A LYS 182.A N LEU 202.A O no hydrogen 2.962 N/A HIS 184.A N TRP 200.A O no hydrogen 3.310 N/A THR 186.A N ARG 198.A O no hydrogen 2.873 N/A THR 186.A OG1 HIS 188.A NE2 no hydrogen 2.502 N/A THR 186.A OG1 ARG 198.A O no hydrogen 3.438 N/A HIS 188.A N THR 196.A O no hydrogen 2.858 N/A HIS 188.A NE2 THR 186.A OG1 no hydrogen 2.502 N/A ARG 190.A NE GLU 194.A OE1 no hydrogen 3.366 N/A ARG 190.A NH2 GLU 194.A OE1 no hydrogen 3.464 N/A GLU 194.A N SER 191.A O no hydrogen 3.054 N/A VAL 195.A N VAL 245.A O no hydrogen 2.997 N/A THR 196.A N HIS 188.A O no hydrogen 2.976 N/A THR 196.A OG1 HIS 188.A O no hydrogen 3.151 N/A LEU 197.A N VAL 243.A O no hydrogen 3.027 N/A ARG 198.A N THR 186.A O no hydrogen 2.988 N/A CYS 199.A N ALA 241.A O no hydrogen 2.982 N/A TRP 200.A N HIS 184.A O no hydrogen 2.901 N/A TRP 200.A NE1 THR 186.A OG1 no hydrogen 3.154 N/A ALA 201.A N LYS 239.A O no hydrogen 2.805 N/A LEU 202.A N LYS 182.A O no hydrogen 2.860 N/A TYR 205.A N ASP 179.A O no hydrogen 2.719 N/A THR 210.A N TYR 258.A O no hydrogen 3.091 N/A THR 212.A N ARG 256.A O no hydrogen 2.823 N/A TRP 213.A NE1 ALA 241.A O no hydrogen 2.835 N/A GLN 214.A N THR 254.A O no hydrogen 2.850 N/A LEU 215.A N GLU 218.A O no hydrogen 3.127 N/A GLU 225.A N SER 242.A O no hydrogen 2.735 N/A VAL 227.A N TRP 240.A O no hydrogen 3.204 N/A ARG 230.A N GLN 238.A O no hydrogen 2.810 N/A ARG 230.A NE GLN 238.A OE1 no hydrogen 2.895 N/A ARG 230.A NH2 GLN 238.A OE1 no hydrogen 3.470 N/A ALA 232.A N THR 236.A O no hydrogen 2.960 N/A THR 236.A N ASP 234.A OD1 no hydrogen 2.898 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.338 N/A THR 236.A OG1 ASP 234.A OD2 no hydrogen 3.295 N/A GLN 238.A N ARG 230.A O no hydrogen 2.726 N/A LYS 239.A N ALA 201.A O no hydrogen 3.155 N/A LYS 239.A NZ VAL 227.A O no hydrogen 2.788 N/A LYS 239.A NZ THR 229.A OG1 no hydrogen 3.133 N/A ALA 241.A N CYS 199.A O no hydrogen 3.128 N/A SER 242.A N GLU 225.A O no hydrogen 2.680 N/A VAL 243.A N LEU 197.A O no hydrogen 3.123 N/A VAL 245.A N VAL 195.A O no hydrogen 3.104 N/A LEU 247.A N GLY 193.A O no hydrogen 2.921 N/A GLY 248.A N GLU 250.A OE2 no hydrogen 3.420 N/A LYS 249.A N PRO 246.A O no hydrogen 2.848 N/A TYR 253.A N GLU 250.A O no hydrogen 3.135 N/A THR 254.A N GLN 214.A O no hydrogen 3.067 N/A CYS 255.A N LEU 268.A O no hydrogen 2.809 N/A CYS 255.A SG THR 212.A O no hydrogen 3.959 N/A ARG 256.A N THR 212.A O no hydrogen 2.761 N/A VAL 257.A N LEU 266.A O no hydrogen 3.037 N/A TYR 258.A N THR 210.A O no hydrogen 2.874 N/A HIS 259.A NE2 PRO 206.A O no hydrogen 2.778 N/A GLY 261.A N HIS 259.A ND1 no hydrogen 3.165 N/A LEU 262.A N HIS 259.A O no hydrogen 2.906 N/A LEU 266.A N VAL 257.A O no hydrogen 3.039 N/A LEU 268.A N CYS 255.A O no hydrogen 2.740 N/A