Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hea_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N PHE 13.A O no hydrogen 3.050 N/A PHE 3.A N ILE 11.A O no hydrogen 3.012 N/A ALA 5.A N THR 9.A O no hydrogen 2.761 N/A LYS 6.A N GLN 78.A OE1 no hydrogen 3.018 N/A GLY 8.A N ALA 5.A O no hydrogen 2.928 N/A THR 9.A N ASP 7.A OD1 no hydrogen 2.952 N/A THR 9.A OG1 ASP 7.A OD1 no hydrogen 2.747 N/A THR 9.A OG1 ASP 7.A OD2 no hydrogen 3.499 N/A GLN 10.A N ASP 61.A OD2 no hydrogen 2.987 N/A ILE 11.A N PHE 3.A O no hydrogen 2.820 N/A TYR 12.A N SER 60.A OG no hydrogen 2.994 N/A PHE 13.A N SER 1.A O no hydrogen 2.838 N/A LYS 14.A N ALA 51.A O no hydrogen 2.723 N/A LYS 14.A NZ ASP 33.A OD1 no hydrogen 2.759 N/A TRP 16.A N THR 49.A O no hydrogen 2.742 N/A VAL 22.A N ARG 48.A O no hydrogen 2.712 N/A LEU 23.A N THR 89.A O no hydrogen 2.904 N/A PHE 24.A N ILE 50.A O no hydrogen 2.779 N/A SER 25.A N VAL 91.A O no hydrogen 2.778 N/A SER 25.A OG GLY 96.A O no hydrogen 3.248 N/A SER 25.A OG ASP 99.A OD1 no hydrogen 2.651 N/A SER 25.A OG ASP 99.A OD2 no hydrogen 3.434 N/A HIS 26.A ND1 GLY 27.A O no hydrogen 2.736 N/A TRP 28.A NE1 THR 191.A O no hydrogen 2.900 N/A LEU 30.A N GLY 27.A O no hydrogen 2.974 N/A ALA 32.A N ASP 53.A OD1 no hydrogen 2.778 N/A ASP 33.A N ASP 31.A OD1 no hydrogen 2.911 N/A MET 34.A N ASP 31.A O no hydrogen 3.132 N/A TRP 35.A N ALA 32.A O no hydrogen 3.105 N/A GLU 36.A N ASP 33.A O no hydrogen 3.051 N/A GLN 38.A NE2 ASN 262.A OD1 no hydrogen 3.004 N/A MET 39.A N TRP 35.A O no hydrogen 2.919 N/A GLU 40.A N GLU 36.A O no hydrogen 3.006 N/A TYR 41.A N TYR 37.A O no hydrogen 3.005 N/A LEU 42.A N GLN 38.A O no hydrogen 2.925 N/A SER 43.A N MET 39.A O no hydrogen 2.868 N/A SER 43.A OG TRP 16.A O no hydrogen 3.115 N/A SER 43.A OG TYR 47.A O no hydrogen 2.967 N/A SER 43.A OG THR 49.A OG1 no hydrogen 2.798 N/A SER 44.A N GLU 40.A O no hydrogen 3.012 N/A SER 44.A OG.A GLU 40.A O no hydrogen 2.853 N/A SER 44.A OG.A TYR 41.A O no hydrogen 3.067 N/A SER 44.A OG.B GLU 40.A O no hydrogen 2.976 N/A SER 44.A OG.B GLU 40.A OE2 no hydrogen 2.737 N/A ARG 45.A N LEU 42.A O no hydrogen 2.914 N/A ARG 45.A NH1 TYR 41.A O no hydrogen 2.831 N/A TYR 47.A N LEU 42.A O no hydrogen 3.150 N/A ARG 48.A N LYS 20.A O no hydrogen 2.972 N/A ARG 48.A NE ASP 15.A OD1 no hydrogen 2.887 N/A ARG 48.A NH2 ASP 15.A OD2 no hydrogen 2.692 N/A THR 49.A N TRP 16.A O no hydrogen 2.799 N/A THR 49.A OG1 MET 39.A O no hydrogen 3.515 N/A THR 49.A OG1 SER 43.A OG no hydrogen 2.798 N/A ILE 50.A N VAL 22.A O no hydrogen 2.835 N/A ALA 51.A N LYS 14.A O no hydrogen 2.980 N/A ASP 53.A N TYR 12.A O no hydrogen 2.820 N/A ARG 54.A N HIS 26.A NE2 no hydrogen 2.910 N/A ARG 54.A NE ASP 99.A OD2 no hydrogen 3.105 N/A ARG 54.A NH1 HIS 26.A O no hydrogen 3.063 N/A ARG 54.A NH1 ASP 99.A OD1 no hydrogen 3.387 N/A ARG 54.A NH1 ASP 99.A OD2 no hydrogen 2.873 N/A ARG 54.A NH2 HIS 26.A O no hydrogen 3.026 N/A ARG 55.A NE ASP 75.A OD2 no hydrogen 2.786 N/A ARG 55.A NH1 ASP 7.A OD1 no hydrogen 3.441 N/A ARG 55.A NH1 ASP 7.A OD2 no hydrogen 3.518 N/A ARG 55.A NH1 ASP 75.A OD1 no hydrogen 3.063 N/A ARG 55.A NH1 ASP 75.A OD2 no hydrogen 3.530 N/A ARG 55.A NH2 ASP 7.A OD2 no hydrogen 2.790 N/A ARG 55.A NH2 THR 65.A O no hydrogen 3.329 N/A GLY 56.A N ASP 61.A O no hydrogen 2.824 N/A PHE 57.A N ARG 54.A O no hydrogen 2.836 N/A ARG 59.A N ASP 53.A OD2 no hydrogen 2.646 N/A ARG 59.A NE ASP 53.A OD2 no hydrogen 2.769 N/A ARG 59.A NH1 ASP 33.A OD1 no hydrogen 3.048 N/A ARG 59.A NH2 ASP 33.A OD1 no hydrogen 2.945 N/A ARG 59.A NH2 ASP 53.A OD1 no hydrogen 3.026 N/A ARG 59.A NH2 ASP 53.A OD2 no hydrogen 3.305 N/A SER 60.A N PHE 57.A O no hydrogen 3.014 N/A SER 60.A OG ASP 53.A O no hydrogen 2.594 N/A ASP 61.A N GLN 10.A O no hydrogen 2.914 N/A ASN 67.A ND2 PRO 63.A O no hydrogen 3.256 N/A ASN 67.A ND2 ASP 193.A OD2 no hydrogen 3.226 N/A TYR 69.A OH MET 95.A O no hydrogen 2.646 N/A THR 71.A N ASP 68.A OD1 no hydrogen 3.039 N/A THR 71.A OG1 ASP 68.A OD1 no hydrogen 3.252 N/A THR 71.A OG1 ASP 68.A OD2 no hydrogen 3.183 N/A PHE 72.A N ASP 68.A O no hydrogen 2.936 N/A ALA 73.A N TYR 69.A O no hydrogen 2.792 N/A ASP 74.A N ASP 70.A O no hydrogen 3.077 N/A ASP 75.A N THR 71.A O no hydrogen 2.789 N/A ILE 76.A N PHE 72.A O no hydrogen 3.096 N/A ALA 77.A N ALA 73.A O no hydrogen 2.985 N/A GLN 78.A N ASP 74.A O no hydrogen 2.948 N/A GLN 78.A NE2 VAL 4.A O no hydrogen 3.497 N/A LEU 79.A N ASP 75.A O no hydrogen 3.099 N/A ILE 80.A N ILE 76.A O no hydrogen 2.925 N/A GLU 81.A N ALA 77.A O no hydrogen 2.888 N/A HIS 82.A N GLN 78.A O no hydrogen 2.792 N/A LEU 83.A N LEU 79.A O no hydrogen 2.960 N/A ASP 84.A N GLU 81.A O no hydrogen 2.891 N/A LEU 85.A N ILE 80.A O no hydrogen 2.904 N/A VAL 88.A N ARG 111.A O no hydrogen 2.896 N/A THR 89.A N PRO 21.A O no hydrogen 3.082 N/A LEU 90.A N GLY 114.A O no hydrogen 2.915 N/A VAL 91.A N LEU 23.A O no hydrogen 2.814 N/A GLY 92.A N VAL 116.A O no hydrogen 2.967 N/A PHE 93.A N SER 25.A O no hydrogen 3.047 N/A SER 94.A N LEU 118.A O no hydrogen 2.903 N/A SER 94.A OG HIS 251.A NE2 no hydrogen 2.581 N/A GLY 96.A N PHE 93.A O no hydrogen 2.720 N/A GLY 97.A N SER 94.A O no hydrogen 3.037 N/A GLY 98.A N MET 95.A O no hydrogen 2.892 N/A ALA 101.A N GLY 97.A O no hydrogen 3.248 N/A ARG 102.A N GLY 98.A O no hydrogen 2.935 N/A ARG 102.A NE ASP 206.A OD1 no hydrogen 3.446 N/A ARG 102.A NE ASP 206.A OD2 no hydrogen 2.671 N/A ARG 102.A NH1 ASP 70.A OD1 no hydrogen 2.982 N/A ARG 102.A NH2 ASP 206.A OD1 no hydrogen 3.072 N/A TYR 103.A N ASP 99.A O no hydrogen 2.925 N/A ILE 104.A N VAL 100.A O no hydrogen 3.343 N/A ALA 105.A N ALA 101.A O no hydrogen 2.968 N/A ARG 106.A N ARG 102.A O no hydrogen 2.913 N/A ARG 106.A NE ASP 74.A OD1 no hydrogen 2.971 N/A ARG 106.A NH1 ASP 74.A OD1 no hydrogen 3.554 N/A ARG 106.A NH1 ASP 74.A OD2 no hydrogen 2.871 N/A HIS 107.A N TYR 103.A O no hydrogen 2.769 N/A HIS 107.A NE2 ASP 74.A OD1 no hydrogen 2.723 N/A GLY 108.A N ILE 104.A O no hydrogen 2.667 N/A SER 109.A OG ASP 211.A OD1 no hydrogen 2.508 N/A SER 109.A OG ASP 211.A OD2 no hydrogen 3.405 N/A ARG 111.A NH1 ASP 84.A OD1 no hydrogen 2.814 N/A ARG 111.A NH1 LEU 85.A O no hydrogen 2.803 N/A ARG 111.A NH2 ASP 84.A OD1 no hydrogen 3.279 N/A VAL 112.A N SER 109.A O no hydrogen 2.959 N/A ALA 113.A N VAL 88.A O no hydrogen 2.746 N/A LEU 115.A N PRO 213.A O no hydrogen 2.887 N/A VAL 116.A N LEU 90.A O no hydrogen 2.723 N/A LEU 117.A N LEU 215.A O no hydrogen 2.844 N/A LEU 118.A N GLY 92.A O no hydrogen 2.855 N/A GLY 119.A N ILE 217.A O no hydrogen 2.881 N/A VAL 121.A N SER 94.A O no hydrogen 3.160 N/A GLN 127.A N VAL 135.A O no hydrogen 2.798 N/A GLN 127.A NE2 PRO 132.A O no hydrogen 2.786 N/A LYS 128.A N TYR 131.A O no hydrogen 3.372 N/A LYS 128.A NZ GLU 200.A O no hydrogen 2.836 N/A TYR 131.A N LYS 128.A O no hydrogen 2.872 N/A TYR 131.A OH THR 229.A O no hydrogen 2.650 N/A GLN 133.A N GLN 133.A OE1 no hydrogen 2.750 N/A GLY 134.A N TYR 131.A O no hydrogen 3.005 N/A VAL 135.A N PHE 125.A O no hydrogen 2.930 N/A VAL 139.A N PRO 136.A O no hydrogen 3.021 N/A ALA 141.A N LEU 137.A O no hydrogen 2.880 N/A ARG 142.A N ASP 138.A O no hydrogen 3.044 N/A ARG 142.A NE GLU 146.A OE2 no hydrogen 3.237 N/A PHE 143.A N VAL 139.A O no hydrogen 3.083 N/A LYS 144.A N PHE 140.A O no hydrogen 2.973 N/A LYS 144.A NZ THR 196.A OG1 no hydrogen 2.776 N/A THR 145.A N ALA 141.A O no hydrogen 3.068 N/A THR 145.A OG1.A ARG 142.A O no hydrogen 2.733 N/A THR 145.A OG1.B ALA 141.A O no hydrogen 3.081 N/A GLU 146.A N ARG 142.A O no hydrogen 3.051 N/A LEU 147.A N PHE 143.A O no hydrogen 2.848 N/A LEU 148.A N LYS 144.A O no hydrogen 2.876 N/A LYS 149.A N GLU 146.A O no hydrogen 3.166 N/A ASP 150.A N GLU 146.A O no hydrogen 2.976 N/A ARG 151.A NH1 LEU 184.A O no hydrogen 3.211 N/A ARG 151.A NH2 ALA 183.A O no hydrogen 3.254 N/A GLN 153.A N ASP 150.A OD1 no hydrogen 2.930 N/A GLN 153.A NE2 ASP 157.A OD1 no hydrogen 2.910 N/A PHE 154.A N ASP 150.A O no hydrogen 3.085 N/A ILE 155.A N ARG 151.A O no hydrogen 3.000 N/A SER 156.A N ALA 152.A O no hydrogen 3.076 N/A ASP 157.A N GLN 153.A O no hydrogen 2.848 N/A PHE 158.A N PHE 154.A O no hydrogen 2.975 N/A ASN 159.A N SER 156.A O no hydrogen 3.285 N/A ASN 159.A ND2 SER 156.A O no hydrogen 3.653 N/A ASN 159.A ND2 GLN 176.A O no hydrogen 3.448 N/A PHE 162.A N PHE 158.A O no hydrogen 2.966 N/A TYR 163.A N ASN 159.A O no hydrogen 3.026 N/A TYR 163.A OH THR 179.A OG1 no hydrogen 2.602 N/A ILE 165.A N ALA 160.A O no hydrogen 2.962 N/A ASN 166.A ND2 GLN 223.A OE1 no hydrogen 3.065 N/A LYS 167.A N GLY 164.A O no hydrogen 2.918 N/A GLN 169.A N GLY 164.A O no hydrogen 3.061 N/A GLN 169.A NE2 ASP 248.A O no hydrogen 3.255 N/A GLN 173.A NE2 THR 177.A OG1 no hydrogen 3.308 N/A VAL 175.A N SER 172.A OG no hydrogen 3.078 N/A GLN 176.A N SER 172.A O no hydrogen 3.234 N/A GLN 176.A NE2 VAL 171.A O no hydrogen 3.197 N/A GLN 176.A NE2 SER 172.A O no hydrogen 3.284 N/A THR 177.A N GLN 173.A O no hydrogen 2.783 N/A THR 177.A OG1 GLN 173.A O no hydrogen 3.181 N/A GLN 178.A N GLY 174.A O no hydrogen 2.861 N/A GLN 178.A NE2 GLU 36.A OE2 no hydrogen 3.252 N/A THR 179.A N VAL 175.A O no hydrogen 2.892 N/A THR 179.A OG1 TYR 163.A OH no hydrogen 2.602 N/A THR 179.A OG1 VAL 175.A O no hydrogen 2.724 N/A LEU 180.A N GLN 176.A O no hydrogen 3.138 N/A GLN 181.A N THR 177.A O no hydrogen 2.864 N/A ILE 182.A N GLN 178.A O no hydrogen 2.963 N/A ALA 183.A N THR 179.A O no hydrogen 2.995 N/A LEU 184.A N LEU 180.A O no hydrogen 2.907 N/A LEU 185.A N ILE 182.A O no hydrogen 3.079 N/A ALA 186.A N ALA 183.A O no hydrogen 3.112 N/A SER 187.A N GLY 56.A O no hydrogen 2.753 N/A LYS 189.A NZ ASP 193.A OD1 no hydrogen 2.959 N/A ALA 190.A N SER 187.A OG no hydrogen 3.049 N/A THR 191.A N SER 187.A O no hydrogen 2.923 N/A THR 191.A OG1 SER 187.A O no hydrogen 2.742 N/A VAL 192.A N LEU 188.A O no hydrogen 3.025 N/A ASP 193.A N LYS 189.A O no hydrogen 2.854 N/A CYS 194.A N ALA 190.A O no hydrogen 2.927 N/A CYS 194.A SG ALA 190.A O no hydrogen 3.368 N/A VAL 195.A N VAL 192.A O no hydrogen 3.062 N/A THR 196.A N VAL 192.A O no hydrogen 3.454 N/A ALA 197.A N ASP 193.A O no hydrogen 2.934 N/A PHE 198.A N CYS 194.A O no hydrogen 2.858 N/A ALA 199.A N VAL 195.A O no hydrogen 2.829 N/A GLU 200.A N THR 196.A O no hydrogen 3.211 N/A THR 201.A N ALA 197.A O no hydrogen 3.051 N/A THR 201.A OG1 ALA 197.A O no hydrogen 2.742 N/A PHE 203.A N PRO 123.A O no hydrogen 2.733 N/A ARG 204.A N ASP 202.A OD1 no hydrogen 2.933 N/A ARG 204.A NE ASP 202.A OD1 no hydrogen 3.012 N/A ARG 204.A NE ASP 202.A OD2 no hydrogen 3.164 N/A ARG 204.A NH1 ASP 130.A OD2 no hydrogen 2.940 N/A ARG 204.A NH2 ASP 130.A OD1 no hydrogen 3.170 N/A ARG 204.A NH2 ASP 130.A OD2 no hydrogen 3.247 N/A ARG 204.A NH2 ASP 202.A OD2 no hydrogen 2.776 N/A MET 207.A N PHE 203.A O no hydrogen 3.056 N/A MET 207.A N ARG 204.A O no hydrogen 3.190 N/A ALA 208.A N PRO 205.A O no hydrogen 3.237 N/A LYS 209.A N ASP 206.A O no hydrogen 2.972 N/A LYS 209.A NZ ALA 105.A O no hydrogen 3.207 N/A ILE 210.A N MET 207.A O no hydrogen 3.172 N/A THR 214.A OG1 VAL 212.A O no hydrogen 3.094 N/A LEU 215.A N LEU 115.A O no hydrogen 2.860 N/A VAL 216.A N GLU 242.A O no hydrogen 2.789 N/A ILE 217.A N LEU 117.A O no hydrogen 2.887 N/A HIS 218.A N LYS 244.A O no hydrogen 3.148 N/A HIS 218.A NE2 VAL 225.A O no hydrogen 2.858 N/A ASP 220.A N TYR 246.A O no hydrogen 3.428 N/A GLY 221.A N ALA 249.A O no hydrogen 2.989 N/A ASP 222.A N GLY 219.A O no hydrogen 3.392 N/A GLN 223.A NE2 ASN 166.A OD1 no hydrogen 2.887 N/A ILE 224.A N ASP 222.A OD1 no hydrogen 2.804 N/A VAL 225.A N ASP 222.A OD1 no hydrogen 2.826 N/A THR 229.A N PRO 226.A O no hydrogen 3.331 N/A THR 230.A N PHE 227.A O no hydrogen 3.309 N/A THR 230.A OG1 PRO 226.A O no hydrogen 2.750 N/A GLY 231.A N THR 230.A OG1 no hydrogen 2.688 N/A LYS 232.A N PHE 227.A O no hydrogen 3.024 N/A LYS 232.A NZ GLU 228.A OE1 no hydrogen 2.810 N/A ALA 234.A N THR 230.A O no hydrogen 2.753 N/A ALA 235.A N GLY 231.A O no hydrogen 3.122 N/A LEU 237.A N VAL 233.A O no hydrogen 2.899 N/A ILE 238.A N ALA 234.A O no hydrogen 3.077 N/A ALA 241.A N ILE 238.A O no hydrogen 3.198 N/A GLU 242.A N THR 214.A O no hydrogen 2.854 N/A LYS 244.A N VAL 216.A O no hydrogen 2.769 N/A LYS 244.A NZ ASP 264.A OD1 no hydrogen 3.123 N/A TYR 246.A N HIS 218.A O no hydrogen 3.021 N/A TYR 246.A OH ASP 264.A OD2 no hydrogen 2.558 N/A ASP 248.A N ASP 220.A OD1 no hydrogen 2.579 N/A ALA 249.A N TYR 246.A O no hydrogen 3.049 N/A HIS 251.A ND1 ASP 222.A OD2 no hydrogen 2.733 N/A HIS 251.A NE2 SER 94.A OG no hydrogen 2.581 N/A GLY 252.A N PHE 162.A O no hydrogen 2.829 N/A VAL 255.A N GLY 252.A O no hydrogen 3.088 N/A THR 256.A N GLY 252.A O no hydrogen 3.412 N/A THR 256.A OG1 HIS 257.A ND1 no hydrogen 2.719 N/A HIS 257.A N PHE 253.A O no hydrogen 2.713 N/A HIS 257.A ND1 THR 256.A OG1 no hydrogen 2.719 N/A GLN 259.A NE2 GLU 263.A OE2 no hydrogen 2.957 N/A LEU 261.A N HIS 257.A O no hydrogen 2.989 N/A ASN 262.A N ALA 258.A O no hydrogen 2.887 N/A GLU 263.A N GLN 259.A O no hydrogen 3.051 N/A ASP 264.A N GLN 260.A O no hydrogen 2.960 N/A LEU 265.A N LEU 261.A O no hydrogen 2.809 N/A LEU 266.A N ASN 262.A O no hydrogen 2.982 N/A ALA 267.A N GLU 263.A O no hydrogen 2.888 N/A PHE 268.A N ASP 264.A O no hydrogen 2.948 N/A LEU 269.A N LEU 265.A O no hydrogen 2.991 N/A LYS 270.A N LEU 266.A O no hydrogen 3.021 N/A LYS 270.A NZ TYR 47.A OH no hydrogen 3.155 N/A ARG 271.A N PHE 268.A O no hydrogen 3.146 N/A ARG 271.A NH1.B PHE 268.A O no hydrogen 2.793 N/A