Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N GLY 2.A O no hydrogen 3.466 N/A LYS 7.A N PRO 3.A O no hydrogen 2.925 N/A LEU 8.A N GLU 4.A O no hydrogen 2.589 N/A LYS 9.A N ILE 5.A O no hydrogen 2.737 N/A LYS 9.A NZ ASP 236.A OD2 no hydrogen 2.570 N/A LYS 10.A N VAL 6.A O no hydrogen 3.236 N/A LYS 10.A NZ GLU 14.A OE2 no hydrogen 3.001 N/A ILE 11.A N LYS 7.A O no hydrogen 3.003 N/A LEU 12.A N LEU 8.A O no hydrogen 2.954 N/A ARG 13.A N LYS 9.A O no hydrogen 2.918 N/A ARG 13.A NH1 GLU 188.A O no hydrogen 2.938 N/A GLU 14.A N LYS 10.A O no hydrogen 2.741 N/A LYS 15.A N ILE 11.A O no hydrogen 2.904 N/A ALA 16.A N ARG 13.A O no hydrogen 3.319 N/A THR 21.A N PRO 18.A O no hydrogen 3.108 N/A MET 28.A N PRO 24.A O no hydrogen 3.022 N/A ARG 29.A N LEU 25.A O no hydrogen 2.846 N/A ARG 29.A NE VAL 78.A O no hydrogen 2.777 N/A ARG 29.A NH1 GLU 110.A OE1 no hydrogen 2.888 N/A ARG 29.A NH2 VAL 78.A O no hydrogen 3.100 N/A ARG 29.A NH2 GLU 110.A OE1 no hydrogen 3.514 N/A ARG 29.A NH2 GLU 110.A OE2 no hydrogen 2.975 N/A LYS 30.A N ASP 26.A O no hydrogen 2.829 N/A LYS 30.A NZ ASP 26.A OD2 no hydrogen 2.872 N/A GLY 31.A N VAL 27.A O no hydrogen 3.035 N/A MET 32.A N MET 28.A O no hydrogen 2.814 N/A GLU 33.A N ARG 29.A O no hydrogen 3.149 N/A LYS 34.A N LYS 30.A O no hydrogen 2.812 N/A VAL 35.A N GLY 31.A O no hydrogen 3.113 N/A ALA 36.A N GLU 33.A O no hydrogen 3.274 N/A ILE 43.A N ALA 40.A O no hydrogen 3.108 N/A GLN 44.A N ARG 59.A O no hydrogen 2.969 N/A GLU 46.A N TRP 57.A O no hydrogen 2.934 N/A VAL 48.A N ALA 55.A O no hydrogen 2.928 N/A VAL 50.A N CYS 53.A O no hydrogen 3.009 N/A CYS 53.A N VAL 50.A O no hydrogen 2.878 N/A CYS 53.A SG ALA 51.A O no hydrogen 3.707 N/A ALA 55.A N VAL 48.A O no hydrogen 2.815 N/A GLU 56.A N LEU 102.A O no hydrogen 3.187 N/A TRP 57.A N GLU 46.A O no hydrogen 2.918 N/A VAL 58.A N ALA 100.A O no hydrogen 2.810 N/A ARG 59.A N GLN 44.A O no hydrogen 2.902 N/A ARG 59.A NH2 GLU 46.A OE1 no hydrogen 3.318 N/A ALA 60.A N SER 93.A OG no hydrogen 2.905 N/A CYS 63.A SG ALA 60.A O no hydrogen 3.477 N/A CYS 63.A SG SER 93.A OG no hydrogen 3.205 N/A GLN 64.A N GLN 97.A O no hydrogen 2.890 N/A ALA 68.A N HIS 136.A O no hydrogen 3.178 N/A ILE 69.A N ALA 99.A O no hydrogen 3.048 N/A LEU 70.A N SER 138.A O no hydrogen 2.842 N/A TYR 71.A N LEU 101.A O no hydrogen 2.762 N/A TYR 71.A OH ASP 142.A OD1 no hydrogen 2.584 N/A LEU 72.A N SER 140.A O no hydrogen 2.757 N/A HIS 73.A ND1 GLY 74.A O no hydrogen 2.653 N/A GLY 74.A N HIS 85.A NE2 no hydrogen 3.217 N/A GLY 74.A N ASP 142.A OD1 no hydrogen 2.962 N/A GLY 74.A N ASP 142.A OD2 no hydrogen 3.052 N/A VAL 78.A N GLY 75.A O no hydrogen 3.083 N/A MET 79.A N GLY 75.A O no hydrogen 2.842 N/A SER 81.A N THR 84.A OG1 no hydrogen 2.823 N/A SER 81.A OG GLU 33.A OE1 no hydrogen 3.369 N/A SER 81.A OG GLU 33.A OE2 no hydrogen 2.545 N/A ASN 83.A ND2 GLU 33.A OE1 no hydrogen 2.549 N/A THR 84.A N SER 81.A OG no hydrogen 3.134 N/A THR 84.A OG1 SER 81.A O no hydrogen 2.967 N/A THR 84.A OG1 HIS 85.A ND1 no hydrogen 2.860 N/A HIS 85.A N SER 81.A O no hydrogen 3.347 N/A HIS 85.A N ILE 82.A O no hydrogen 3.372 N/A HIS 85.A ND1 THR 84.A OG1 no hydrogen 2.860 N/A HIS 85.A NE2 ASP 142.A OD2 no hydrogen 2.639 N/A ARG 86.A NE GLU 56.A OE1 no hydrogen 2.645 N/A ARG 86.A NH1 ASN 83.A OD1 no hydrogen 3.400 N/A ARG 86.A NH2 GLU 56.A OE1 no hydrogen 3.382 N/A ARG 86.A NH2 GLU 56.A OE2 no hydrogen 3.040 N/A SER 87.A OG HIS 273.A NE2 no hydrogen 3.184 N/A VAL 89.A N HIS 85.A O no hydrogen 3.157 N/A GLY 90.A N ARG 86.A O no hydrogen 2.950 N/A GLU 91.A N SER 87.A O no hydrogen 3.180 N/A ILE 92.A N MET 88.A O no hydrogen 3.146 N/A SER 93.A N VAL 89.A O no hydrogen 2.709 N/A SER 93.A OG ALA 98.A O no hydrogen 2.819 N/A ARG 94.A N GLY 90.A O no hydrogen 2.948 N/A ARG 94.A NE GLU 91.A OE1 no hydrogen 2.806 N/A ARG 94.A NE GLU 91.A OE2 no hydrogen 3.435 N/A ARG 94.A NH1 ASP 42.A OD1 no hydrogen 3.342 N/A ARG 94.A NH1 ASP 42.A OD2 no hydrogen 2.592 N/A ARG 94.A NH1 GLU 91.A OE2 no hydrogen 3.277 N/A ARG 94.A NH2 ASP 42.A OD1 no hydrogen 2.700 N/A ARG 94.A NH2 ASP 42.A OD2 no hydrogen 3.546 N/A ALA 95.A N GLU 91.A O no hydrogen 2.960 N/A SER 96.A N ILE 92.A O no hydrogen 3.057 N/A SER 96.A OG ILE 92.A O no hydrogen 2.855 N/A GLN 97.A N ARG 94.A O no hydrogen 3.244 N/A GLN 97.A NE2 GLN 64.A OE1 no hydrogen 3.159 N/A ALA 100.A N VAL 58.A O no hydrogen 2.828 N/A LEU 101.A N ILE 69.A O no hydrogen 2.655 N/A LEU 102.A N GLU 56.A O no hydrogen 2.733 N/A LEU 103.A N TYR 71.A O no hydrogen 3.465 N/A ASP 104.A N ALA 54.A O no hydrogen 2.996 N/A TYR 105.A OH HIS 73.A O no hydrogen 2.582 N/A ARG 106.A N ASP 119.A OD2 no hydrogen 2.570 N/A ARG 106.A NE ASP 119.A OD1 no hydrogen 3.175 N/A ARG 106.A NE ASP 119.A OD2 no hydrogen 3.304 N/A ARG 106.A NH2 GLU 118.A OE2 no hydrogen 3.091 N/A ARG 106.A NH2 ASP 119.A OD1 no hydrogen 2.835 N/A ALA 108.A N TYR 77.A O no hydrogen 2.796 N/A GLU 110.A N GLU 110.A OE2 no hydrogen 2.647 N/A HIS 111.A N LEU 107.A O no hydrogen 2.992 N/A PHE 113.A N TYR 205.A O no hydrogen 2.892 N/A ALA 115.A N PRO 112.A O no hydrogen 2.977 N/A VAL 117.A N PRO 114.A O no hydrogen 3.062 N/A GLU 118.A N PRO 114.A O no hydrogen 3.079 N/A ASP 119.A N ALA 115.A O no hydrogen 3.016 N/A GLY 120.A N ALA 116.A O no hydrogen 2.989 N/A VAL 121.A N VAL 117.A O no hydrogen 2.677 N/A ALA 122.A N GLU 118.A O no hydrogen 2.915 N/A ALA 123.A N ASP 119.A O no hydrogen 2.751 N/A TYR 124.A N GLY 120.A O no hydrogen 2.954 N/A TYR 124.A OH PRO 162.A O no hydrogen 2.791 N/A ARG 125.A N VAL 121.A O no hydrogen 2.867 N/A TRP 126.A N ALA 122.A O no hydrogen 2.798 N/A LEU 127.A N ALA 123.A O no hydrogen 3.034 N/A LEU 128.A N TYR 124.A O no hydrogen 3.001 N/A ASP 129.A N ARG 125.A O no hydrogen 2.799 N/A GLN 130.A N TRP 126.A O no hydrogen 2.935 N/A GLN 130.A NE2 TRP 126.A O no hydrogen 3.363 N/A GLY 131.A N LEU 128.A O no hydrogen 2.990 N/A PHE 132.A N LEU 127.A O no hydrogen 3.233 N/A HIS 136.A N LYS 133.A O no hydrogen 2.634 N/A LEU 137.A N PRO 134.A O no hydrogen 3.135 N/A SER 138.A N ALA 68.A O no hydrogen 3.089 N/A SER 138.A OG SER 166.A O no hydrogen 3.325 N/A SER 138.A OG SER 166.A OG no hydrogen 2.680 N/A ILE 139.A N SER 166.A O no hydrogen 3.290 N/A SER 140.A N LEU 70.A O no hydrogen 3.101 N/A SER 140.A OG ILE 168.A O no hydrogen 2.882 N/A GLY 141.A N ILE 168.A O no hydrogen 3.208 N/A ASP 142.A N LEU 72.A O no hydrogen 3.310 N/A SER 143.A N ILE 170.A O no hydrogen 2.812 N/A SER 143.A OG HIS 267.A NE2 no hydrogen 2.595 N/A GLY 145.A N ASP 142.A O no hydrogen 2.750 N/A GLY 147.A N SER 143.A O no hydrogen 3.111 N/A LEU 148.A N ALA 144.A O no hydrogen 2.931 N/A VAL 149.A N GLY 145.A O no hydrogen 2.923 N/A LEU 150.A N GLY 147.A O no hydrogen 2.862 N/A ALA 151.A N GLY 147.A O no hydrogen 3.000 N/A VAL 152.A N LEU 148.A O no hydrogen 2.765 N/A LEU 153.A N VAL 149.A O no hydrogen 3.000 N/A VAL 154.A N LEU 150.A O no hydrogen 2.966 N/A SER 155.A N ALA 151.A O no hydrogen 2.908 N/A ALA 156.A N VAL 152.A O no hydrogen 2.844 N/A ARG 157.A N LEU 153.A O no hydrogen 2.817 N/A ARG 157.A NH1 ASN 222.A O no hydrogen 2.490 N/A ARG 157.A NH1 LYS 224.A O no hydrogen 2.957 N/A ARG 157.A NH2 ASP 158.A OD1 no hydrogen 2.764 N/A ARG 157.A NH2 ASN 222.A O no hydrogen 3.209 N/A ASP 158.A N VAL 154.A O no hydrogen 2.906 N/A GLN 159.A N SER 155.A O no hydrogen 3.046 N/A GLN 159.A N ALA 156.A O no hydrogen 3.069 N/A GLN 159.A NE2 SER 155.A OG no hydrogen 3.248 N/A GLY 160.A N ARG 157.A O no hydrogen 2.895 N/A LEU 161.A N ALA 156.A O no hydrogen 2.962 N/A ALA 165.A N LEU 137.A O no hydrogen 3.003 N/A SER 166.A OG SER 138.A OG no hydrogen 2.680 N/A ALA 167.A N PRO 228.A O no hydrogen 2.897 N/A ILE 168.A N ILE 139.A O no hydrogen 2.794 N/A ILE 170.A N GLY 141.A O no hydrogen 2.629 N/A SER 171.A N HIS 232.A O no hydrogen 2.610 N/A SER 171.A OG GLU 237.A OE1 no hydrogen 3.533 N/A SER 171.A OG GLU 237.A OE2 no hydrogen 2.518 N/A TRP 173.A N SER 143.A O no hydrogen 2.890 N/A ALA 174.A N ASP 242.A OD1 no hydrogen 2.746 N/A MET 176.A N SER 217.A OG no hydrogen 2.835 N/A THR 177.A N ASP 175.A OD1 no hydrogen 2.800 N/A THR 177.A OG1 ASP 175.A OD1 no hydrogen 2.432 N/A THR 177.A OG1 ASP 175.A OD2 no hydrogen 3.386 N/A THR 177.A OG1 THR 179.A OG1 no hydrogen 2.756 N/A CYS 178.A SG MET 176.A O no hydrogen 3.893 N/A CYS 178.A SG ASN 199.A OD1 no hydrogen 3.909 N/A THR 179.A OG1 THR 177.A OG1 no hydrogen 2.756 N/A SER 182.A OG VAL 238.A O no hydrogen 2.534 N/A PHE 183.A N ASN 180.A O no hydrogen 3.135 N/A LYS 184.A N ASP 181.A O no hydrogen 2.964 N/A THR 185.A N ASP 181.A O no hydrogen 2.855 N/A ARG 186.A N SER 182.A O no hydrogen 3.089 N/A ARG 186.A NE ARG 235.A O no hydrogen 2.912 N/A MET 192.A N ASP 190.A OD1 no hydrogen 3.048 N/A ILE 198.A N ALA 194.A O no hydrogen 3.278 N/A LYS 200.A N GLY 196.A O no hydrogen 3.093 N/A MET 201.A N GLY 197.A O no hydrogen 3.414 N/A ALA 202.A N ILE 198.A O no hydrogen 3.263 N/A ALA 203.A N ASN 199.A O no hydrogen 3.071 N/A ARG 204.A N LYS 200.A O no hydrogen 2.770 N/A TYR 205.A N MET 201.A O no hydrogen 2.799 N/A LEU 206.A N ALA 202.A O no hydrogen 2.679 N/A ASN 207.A N ALA 203.A O no hydrogen 2.860 N/A ALA 209.A N LEU 206.A O no hydrogen 2.964 N/A LYS 212.A N ASP 210.A OD1 no hydrogen 2.882 N/A HIS 213.A N ASP 210.A O no hydrogen 2.884 N/A TYR 215.A N HIS 213.A ND1 no hydrogen 2.971 N/A TYR 215.A OH ASP 158.A OD2 no hydrogen 2.282 N/A ALA 216.A N HIS 213.A O no hydrogen 2.935 N/A SER 217.A N HIS 213.A O no hydrogen 2.628 N/A SER 217.A OG ALA 211.A O no hydrogen 2.568 N/A ASN 219.A N ALA 174.A O no hydrogen 2.941 N/A ASN 219.A ND2 ASP 242.A O no hydrogen 2.896 N/A PHE 220.A N SER 217.A O no hydrogen 2.901 N/A ALA 221.A N PRO 218.A O no hydrogen 2.846 N/A ASN 222.A ND2 ASP 253.A OD2 no hydrogen 3.303 N/A LEU 223.A N ASP 253.A OD2 no hydrogen 2.819 N/A LEU 226.A N LEU 223.A O no hydrogen 3.285 N/A LEU 229.A N LYS 256.A O no hydrogen 2.847 N/A LEU 230.A N ALA 167.A O no hydrogen 2.972 N/A ILE 231.A N THR 258.A O no hydrogen 2.797 N/A HIS 232.A N PRO 169.A O no hydrogen 3.127 N/A HIS 232.A NE2 ALA 282.A O no hydrogen 3.272 N/A VAL 233.A N GLU 260.A O no hydrogen 3.353 N/A GLY 234.A N GLU 237.A OE2 no hydrogen 2.843 N/A ARG 235.A N TRP 262.A O no hydrogen 3.122 N/A ARG 235.A NE ASP 263.A OD2 no hydrogen 2.608 N/A ARG 235.A NH1 ASP 263.A OD2 no hydrogen 3.535 N/A ASP 236.A N MET 265.A O no hydrogen 2.964 N/A VAL 238.A N ASP 190.A OD2 no hydrogen 2.623 N/A LEU 240.A N GLU 237.A O no hydrogen 3.084 N/A ASP 241.A N SER 182.A OG no hydrogen 3.103 N/A ILE 244.A N LEU 240.A O no hydrogen 2.881 N/A LYS 245.A N ASP 241.A O no hydrogen 2.779 N/A LEU 246.A N ASP 242.A O no hydrogen 2.820 N/A ASP 247.A N SER 243.A O no hydrogen 3.107 N/A ASP 247.A N ILE 244.A O no hydrogen 3.249 N/A ALA 248.A N ILE 244.A O no hydrogen 3.085 N/A LYS 249.A N LYS 245.A O no hydrogen 2.859 N/A LYS 249.A NZ ALA 221.A O no hydrogen 2.977 N/A LYS 249.A NZ ASP 253.A OD2 no hydrogen 2.965 N/A ALA 250.A N LEU 246.A O no hydrogen 2.955 N/A LYS 251.A N ASP 247.A O no hydrogen 2.848 N/A ALA 252.A N ALA 248.A O no hydrogen 2.931 N/A ASP 253.A N LYS 249.A O no hydrogen 2.746 N/A GLY 254.A N LYS 251.A O no hydrogen 3.243 N/A VAL 255.A N ALA 250.A O no hydrogen 2.816 N/A SER 257.A OG ASP 247.A OD1 no hydrogen 2.463 N/A THR 258.A N LEU 229.A O no hydrogen 3.099 N/A GLU 260.A N ILE 231.A O no hydrogen 2.838 N/A TRP 262.A N VAL 233.A O no hydrogen 3.168 N/A TRP 262.A NE1 GLU 260.A OE1 no hydrogen 3.008 N/A MET 265.A N TRP 262.A O no hydrogen 3.302 N/A HIS 267.A ND1 GLU 237.A OE1 no hydrogen 2.865 N/A HIS 267.A NE2 SER 143.A OG no hydrogen 2.595 N/A VAL 268.A N SER 171.A OG no hydrogen 2.961 N/A TRP 269.A NE1 GLU 278.A O no hydrogen 3.143 N/A HIS 270.A N HIS 270.A ND1 no hydrogen 2.822 N/A ALA 271.A N VAL 268.A O no hydrogen 2.956 N/A PHE 272.A N TRP 269.A O no hydrogen 2.964 N/A HIS 273.A N HIS 270.A O no hydrogen 2.960 N/A MET 275.A N PHE 272.A O no hydrogen 3.191 N/A LEU 276.A N HIS 273.A O no hydrogen 3.195 N/A GLU 278.A N GLU 278.A OE1 no hydrogen 2.527 N/A LYS 280.A N LEU 276.A O no hydrogen 3.121 N/A GLN 281.A N PRO 277.A O no hydrogen 2.902 N/A ALA 282.A N GLU 278.A O no hydrogen 2.868 N/A ILE 283.A N GLY 279.A O no hydrogen 3.202 N/A VAL 284.A N LYS 280.A O no hydrogen 3.020 N/A ARG 285.A N GLN 281.A O no hydrogen 3.011 N/A ARG 285.A NE GLU 260.A OE2 no hydrogen 2.787 N/A ARG 285.A NH1 GLU 292.A OE2 no hydrogen 2.964 N/A ARG 285.A NH2 GLU 260.A OE2 no hydrogen 3.030 N/A VAL 286.A N ALA 282.A O no hydrogen 2.925 N/A GLY 287.A N ILE 283.A O no hydrogen 3.132 N/A GLU 288.A N VAL 284.A O no hydrogen 2.826 N/A PHE 289.A N ARG 285.A O no hydrogen 3.020 N/A MET 290.A N VAL 286.A O no hydrogen 2.983 N/A ARG 291.A N GLY 287.A O no hydrogen 3.115 N/A ARG 291.A NE ALA 95.A O no hydrogen 2.814 N/A ARG 291.A NH2 ALA 95.A O no hydrogen 3.068 N/A GLU 292.A N GLU 288.A O no hydrogen 2.720 N/A GLN 293.A N PHE 289.A O no hydrogen 2.901 N/A TRP 294.A N MET 290.A O no hydrogen 2.885 N/A ALA 295.A N ARG 291.A O no hydrogen 2.830 N/A ALA 296.A N GLU 292.A O no hydrogen 2.919 N/A