Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N SER 4.A O no hydrogen 2.717 N/A GLY 8.A N PRO 123.A O no hydrogen 3.033 N/A LYS 9.A NZ ASP 6.A OD1 no hydrogen 3.131 N/A LYS 15.A NZ VAL 26.A O no hydrogen 2.705 N/A CYS 17.A N GLU 158.A OE2 no hydrogen 3.090 N/A VAL 22.A N ASP 194.A O no hydrogen 2.672 N/A GLY 24.A N THR 193.A OG1 no hydrogen 3.244 N/A CYS 25.A N GLU 158.A O no hydrogen 2.940 N/A CYS 25.A SG VAL 26.A O no hydrogen 3.953 N/A ALA 27.A N LEU 156.A O no hydrogen 2.828 N/A HIS 28.A ND1 GLU 13.A O no hydrogen 2.943 N/A SER 31.A OG HIS 28.A O no hydrogen 2.979 N/A TRP 32.A NE1 GLU 158.A OE1 no hydrogen 2.965 N/A GLN 35.A N TRP 32.A O no hydrogen 2.994 N/A GLN 35.A NE2 VAL 36.A O no hydrogen 3.148 N/A VAL 36.A N GLY 49.A O no hydrogen 2.904 N/A SER 37.A N ILE 76.A O no hydrogen 3.106 N/A LEU 38.A N CYS 47.A O no hydrogen 2.799 N/A ARG 39.A N LYS 74.A O no hydrogen 2.790 N/A ARG 39.A NE SER 37.A OG no hydrogen 2.847 N/A ARG 39.A NH2 GLN 81.A O no hydrogen 3.405 N/A ARG 41.A NH1 SER 71.A OG no hydrogen 2.936 N/A PHE 42.A N THR 40.A OG1 no hydrogen 2.915 N/A GLY 43.A N THR 40.A O no hydrogen 2.787 N/A HIS 45.A NE2 GLY 198.A O no hydrogen 2.927 N/A PHE 46.A N LEU 38.A O no hydrogen 3.099 N/A CYS 47.A SG PHE 46.A O no hydrogen 2.802 N/A CYS 47.A SG ALA 200.A O no hydrogen 3.147 N/A GLY 48.A N ALA 200.A O no hydrogen 3.073 N/A GLY 49.A N VAL 36.A O no hydrogen 3.109 N/A THR 50.A N LEU 58.A O no hydrogen 2.628 N/A LEU 51.A N TRP 34.A O no hydrogen 2.868 N/A ILE 52.A N TRP 56.A O no hydrogen 3.071 N/A SER 53.A N TRP 56.A O no hydrogen 3.487 N/A TRP 56.A N SER 53.A O no hydrogen 2.935 N/A VAL 57.A N LEU 109.A O no hydrogen 2.726 N/A LEU 58.A N THR 50.A O no hydrogen 2.694 N/A THR 59.A N ALA 107.A O no hydrogen 2.952 N/A THR 59.A OG1 ALA 60.A O no hydrogen 3.253 N/A HIS 62.A N ASP 105.A OD1 no hydrogen 2.812 N/A HIS 62.A ND1 ASP 105.A OD1 no hydrogen 3.247 N/A HIS 62.A ND1 ASP 105.A OD2 no hydrogen 2.801 N/A CYS 63.A N ALA 60.A O no hydrogen 3.092 N/A CYS 63.A SG ALA 200.A O no hydrogen 3.159 N/A LEU 64.A N ALA 61.A O no hydrogen 3.251 N/A GLU 65.A N HIS 62.A O no hydrogen 2.824 N/A SER 67.A OG SER 72.A OG no hydrogen 3.264 N/A SER 72.A N ARG 69.A O no hydrogen 3.222 N/A SER 72.A OG SER 67.A OG no hydrogen 3.264 N/A SER 72.A OG ARG 69.A O no hydrogen 2.500 N/A TYR 73.A N PRO 70.A O no hydrogen 3.125 N/A TYR 73.A OH SER 67.A O no hydrogen 2.445 N/A LYS 74.A N ARG 39.A O no hydrogen 3.015 N/A VAL 75.A N ILE 92.A O no hydrogen 3.181 N/A ILE 76.A N SER 37.A O no hydrogen 2.995 N/A LEU 77.A N GLN 90.A O no hydrogen 2.798 N/A HIS 80.A N GLU 86.A OE1 no hydrogen 3.413 N/A GLN 81.A N GLU 86.A OE2 no hydrogen 3.240 N/A GLU 82.A N GLY 154.A O no hydrogen 2.683 N/A VAL 89.A N GLU 86.A O no hydrogen 3.134 N/A GLN 90.A N LEU 77.A O no hydrogen 2.920 N/A GLN 90.A NE2 VAL 116.A O no hydrogen 2.953 N/A ILE 92.A N VAL 75.A O no hydrogen 3.003 N/A VAL 94.A N GLU 93.A OE2 no hydrogen 3.199 N/A SER 95.A N LYS 110.A O no hydrogen 2.852 N/A SER 95.A OG LYS 110.A O no hydrogen 3.096 N/A SER 95.A OG SER 112.A OG no hydrogen 3.404 N/A ARG 96.A N LYS 110.A O no hydrogen 3.151 N/A ARG 96.A NE LEU 97.A O no hydrogen 3.418 N/A ARG 96.A NH2 LEU 97.A O no hydrogen 3.446 N/A PHE 98.A N LEU 108.A O no hydrogen 2.665 N/A GLU 100.A N ILE 106.A O no hydrogen 3.230 N/A THR 102.A N GLU 100.A OE2 no hydrogen 3.114 N/A THR 102.A OG1 GLU 100.A OE1 no hydrogen 2.740 N/A THR 102.A OG1 GLU 100.A OE2 no hydrogen 2.720 N/A LYS 104.A N GLU 100.A OE1 no hydrogen 3.187 N/A LYS 104.A NZ THR 102.A O no hydrogen 2.912 N/A LYS 104.A NZ THR 102.A OG1 no hydrogen 2.641 N/A ALA 107.A N THR 59.A O no hydrogen 2.786 N/A LEU 108.A N PHE 98.A O no hydrogen 2.716 N/A LEU 109.A N VAL 57.A O no hydrogen 2.701 N/A LYS 110.A N ARG 96.A O no hydrogen 2.663 N/A LYS 110.A NZ GLU 55.A OE1 no hydrogen 3.452 N/A LEU 111.A N GLU 55.A O no hydrogen 2.600 N/A SER 112.A N GLU 93.A O no hydrogen 2.953 N/A SER 112.A OG SER 95.A OG no hydrogen 3.404 N/A SER 113.A OG PRO 114.A O no hydrogen 3.019 N/A ALA 115.A N PRO 54.A O no hydrogen 2.624 N/A VAL 116.A N GLN 90.A OE1 no hydrogen 3.451 N/A THR 118.A N VAL 121.A O no hydrogen 3.140 N/A THR 118.A OG1 ASP 119.A OD1 no hydrogen 2.958 N/A LYS 120.A N THR 118.A OG1 no hydrogen 2.927 N/A LYS 120.A NZ ASP 119.A OD2 no hydrogen 3.484 N/A VAL 121.A N THR 118.A O no hydrogen 2.830 N/A ALA 124.A N LEU 51.A O no hydrogen 2.865 N/A ASN 130.A N SER 237.A O no hydrogen 2.567 N/A TYR 131.A N SER 128.A O no hydrogen 3.098 N/A ARG 136.A N VAL 163.A O no hydrogen 2.674 N/A ARG 136.A NH1 VAL 163.A O no hydrogen 3.565 N/A THR 137.A OG1 ALA 134.A O no hydrogen 2.620 N/A CYS 139.A N LEU 161.A O no hydrogen 3.046 N/A CYS 139.A SG THR 137.A O no hydrogen 3.707 N/A PHE 140.A N VAL 205.A O no hydrogen 2.692 N/A ILE 141.A N ALA 159.A O no hydrogen 2.928 N/A THR 142.A OG1 GLN 35.A OE1 no hydrogen 2.486 N/A GLY 143.A N LYS 157.A O no hydrogen 2.861 N/A TRP 144.A NE1 HIS 80.A O no hydrogen 2.817 N/A GLU 146.A N GLN 197.A O no hydrogen 2.710 N/A THR 147.A OG1 THR 150.A O no hydrogen 2.658 N/A GLN 148.A N GLU 146.A OE2 no hydrogen 2.423 N/A THR 150.A N THR 147.A O no hydrogen 3.065 N/A THR 150.A OG1 THR 147.A O no hydrogen 2.261 N/A THR 150.A OG1 THR 147.A OG1 no hydrogen 3.396 N/A LEU 155.A N GLY 152.A O no hydrogen 3.256 N/A LYS 157.A N GLY 143.A O no hydrogen 2.950 N/A LYS 157.A NZ GLY 23.A O no hydrogen 2.889 N/A LYS 157.A NZ PHE 151.A O no hydrogen 3.338 N/A GLU 158.A N CYS 25.A O no hydrogen 2.698 N/A ALA 159.A N ILE 141.A O no hydrogen 2.981 N/A LEU 161.A N CYS 139.A O no hydrogen 2.833 N/A VAL 163.A N THR 137.A O no hydrogen 2.952 N/A ILE 164.A N CYS 185.A O no hydrogen 2.788 N/A GLU 165.A N ASP 135.A OD1 no hydrogen 2.507 N/A LYS 167.A N GLU 165.A OE1 no hydrogen 2.826 N/A LYS 167.A N GLU 165.A OE2 no hydrogen 2.877 N/A VAL 168.A N GLU 165.A OE1 no hydrogen 3.184 N/A CYS 169.A N GLU 165.A O no hydrogen 2.678 N/A ASN 170.A N ASN 166.A O no hydrogen 2.868 N/A ASN 170.A N LYS 167.A O no hydrogen 2.762 N/A ARG 171.A N VAL 168.A O no hydrogen 3.190 N/A ARG 171.A NE GLU 173.A OE2 no hydrogen 2.778 N/A ARG 171.A NH2 GLU 173.A OE2 no hydrogen 2.993 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 3.317 N/A PHE 174.A N ARG 171.A O no hydrogen 3.014 N/A LEU 175.A N CYS 169.A O no hydrogen 3.105 N/A ASN 176.A N ARG 171.A O no hydrogen 2.556 N/A GLY 177.A N ASN 170.A O no hydrogen 2.476 N/A ARG 178.A NE LEU 175.A O no hydrogen 2.882 N/A GLN 180.A N GLU 183.A OE1 no hydrogen 2.680 N/A GLU 183.A N GLN 180.A O no hydrogen 3.268 N/A LEU 184.A N TYR 233.A O no hydrogen 2.653 N/A ALA 186.A N GLY 231.A O no hydrogen 2.907 N/A GLY 187.A N PRO 162.A O no hydrogen 3.097 N/A HIS 188.A NE2 GLN 160.A O no hydrogen 3.151 N/A GLY 191.A N HIS 188.A O no hydrogen 3.014 N/A GLY 192.A N ALA 225.A O no hydrogen 2.627 N/A ASP 194.A N VAL 22.A O no hydrogen 2.841 N/A SER 195.A OG TYR 233.A OH no hydrogen 2.668 N/A ASP 199.A N CYS 196.A O no hydrogen 3.150 N/A GLY 201.A N THR 218.A O no hydrogen 3.056 N/A GLY 202.A N ASP 199.A O no hydrogen 2.864 N/A LEU 204.A N GLY 216.A O no hydrogen 2.869 N/A VAL 205.A N PHE 140.A O no hydrogen 2.970 N/A CYS 206.A N ILE 213.A O no hydrogen 3.095 N/A GLU 208.A N LYS 211.A O no hydrogen 2.849 N/A LYS 211.A NZ CYS 7.A O no hydrogen 3.255 N/A TYR 212.A N GLY 8.A O no hydrogen 3.133 N/A ILE 213.A N CYS 206.A O no hydrogen 3.044 N/A LEU 214.A N CYS 125.A O no hydrogen 2.642 N/A GLN 215.A N LEU 204.A O no hydrogen 2.696 N/A GLY 216.A N LEU 204.A O no hydrogen 2.852 N/A VAL 217.A N VAL 234.A O no hydrogen 3.204 N/A THR 218.A N GLY 202.A O no hydrogen 3.228 N/A SER 219.A N VAL 232.A O no hydrogen 3.050 N/A SER 219.A OG ASP 105.A OD2 no hydrogen 2.613 N/A TRP 220.A N VAL 232.A O no hydrogen 3.031 N/A TRP 220.A NE1 GLU 183.A OE2 no hydrogen 3.266 N/A ALA 225.A N ASP 194.A OD2 no hydrogen 3.350 N/A ASN 228.A N LEU 189.A O no hydrogen 2.490 N/A ASN 228.A ND2 LEU 189.A O no hydrogen 3.042 N/A LYS 229.A NZ PHE 174.A O no hydrogen 3.044 N/A LYS 229.A NZ ASN 228.A O no hydrogen 2.799 N/A GLY 231.A N ALA 186.A O no hydrogen 2.910 N/A VAL 232.A N TRP 220.A O no hydrogen 2.978 N/A TYR 233.A N LEU 184.A O no hydrogen 2.758 N/A TYR 233.A OH SER 195.A OG no hydrogen 2.668 N/A VAL 234.A N VAL 217.A O no hydrogen 2.836 N/A ARG 235.A N THR 182.A O no hydrogen 3.011 N/A ARG 235.A NE GLU 183.A O no hydrogen 2.658 N/A ARG 235.A NH2 GLU 183.A O no hydrogen 3.261 N/A VAL 236.A N GLN 215.A O no hydrogen 3.363 N/A SER 237.A OG TYR 131.A O no hydrogen 2.734 N/A PHE 239.A N VAL 236.A O no hydrogen 2.881 N/A VAL 240.A N VAL 236.A O no hydrogen 3.311 N/A ILE 243.A N PHE 239.A O no hydrogen 2.773 N/A GLU 244.A N VAL 240.A O no hydrogen 2.974 N/A GLY 245.A N THR 241.A O no hydrogen 2.868 N/A VAL 246.A N TRP 242.A O no hydrogen 3.233 N/A MET 247.A N ILE 243.A O no hydrogen 3.144 N/A ARG 248.A N GLU 244.A O no hydrogen 3.374 N/A ASN 249.A N VAL 246.A O no hydrogen 3.135 N/A ASN 250.A N MET 247.A O no hydrogen 2.866 N/A