Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r3m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE1 no hydrogen 3.555 N/A GLU 2.A N GLU 2.A OE1 no hydrogen 2.687 N/A PHE 4.A N MET 1.A O no hydrogen 2.798 N/A GLN 5.A N ARG 22.A O no hydrogen 2.778 N/A VAL 7.A N LYS 20.A O no hydrogen 2.663 N/A GLU 8.A N LYS 20.A O no hydrogen 3.323 N/A ILE 10.A N VAL 18.A O no hydrogen 2.863 N/A VAL 18.A N GLY 11.A O no hydrogen 2.757 N/A TYR 19.A N LEU 32.A O no hydrogen 2.823 N/A LYS 20.A N GLU 8.A O no hydrogen 2.717 N/A ALA 21.A N VAL 30.A O no hydrogen 2.773 N/A ARG 22.A N GLN 5.A O no hydrogen 2.786 N/A ARG 22.A NH1 GLN 5.A OE1 no hydrogen 2.864 N/A ASN 23.A N GLU 28.A O no hydrogen 2.749 N/A LYS 24.A N ASN 3.A O no hydrogen 2.684 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.887 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.690 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.099 N/A GLY 27.A N ASN 23.A O no hydrogen 2.896 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.244 N/A VAL 30.A N ALA 21.A O no hydrogen 2.851 N/A ALA 31.A N PHE 73.A O no hydrogen 2.915 N/A LEU 32.A N TYR 19.A O no hydrogen 2.671 N/A LYS 33.A N LEU 71.A O no hydrogen 2.790 N/A LYS 33.A NZ ASP 138.A OD2 no hydrogen 3.237 N/A LYS 34.A N VAL 17.A O no hydrogen 3.205 N/A ILE 35.A N LEU 69.A O no hydrogen 2.886 N/A ARG 36.A N TYR 15.A O no hydrogen 2.908 N/A ARG 36.A N LYS 34.A O no hydrogen 3.354 N/A ILE 42.A N PRO 38.A O no hydrogen 3.382 N/A ARG 43.A N SER 39.A O no hydrogen 3.235 N/A GLU 44.A N THR 40.A O no hydrogen 3.166 N/A ILE 45.A N ALA 41.A O no hydrogen 2.787 N/A SER 46.A N ILE 42.A O no hydrogen 2.874 N/A SER 46.A OG ILE 42.A O no hydrogen 2.864 N/A LEU 47.A N ARG 43.A O no hydrogen 3.135 N/A LEU 47.A N GLU 44.A O no hydrogen 3.193 N/A LEU 48.A N ILE 45.A O no hydrogen 2.777 N/A LYS 49.A N SER 46.A O no hydrogen 3.341 N/A GLU 50.A N LEU 47.A O no hydrogen 3.259 N/A LEU 51.A N LEU 48.A O no hydrogen 2.987 N/A ASN 52.A N GLU 50.A O no hydrogen 2.870 N/A ASN 52.A ND2 LYS 49.A O no hydrogen 3.260 N/A ASN 55.A ND2 GLN 103.A OE1 no hydrogen 3.042 N/A ASN 55.A ND2 ILE 134.A O no hydrogen 2.850 N/A ILE 56.A N HIS 53.A O no hydrogen 3.069 N/A VAL 57.A N LEU 136.A O no hydrogen 2.879 N/A LYS 58.A N GLU 74.A OE1 no hydrogen 2.896 N/A LEU 60.A N VAL 72.A O no hydrogen 2.608 N/A ASP 61.A N VAL 72.A O no hydrogen 3.205 N/A ILE 63.A N TYR 70.A O no hydrogen 2.788 N/A HIS 64.A ND1 LYS 68.A O no hydrogen 2.563 N/A THR 65.A N LYS 68.A O no hydrogen 2.787 N/A LYS 68.A N THR 65.A O no hydrogen 2.361 N/A TYR 70.A N ILE 63.A O no hydrogen 2.726 N/A LEU 71.A N LYS 33.A O no hydrogen 2.799 N/A VAL 72.A N ASP 61.A O no hydrogen 2.858 N/A PHE 73.A N ALA 31.A O no hydrogen 2.810 N/A GLU 74.A N LYS 58.A O no hydrogen 2.879 N/A LEU 80.A N LEU 126.A O no hydrogen 2.776 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.820 N/A PHE 83.A N ASP 79.A O no hydrogen 3.100 N/A MET 84.A N LEU 80.A O no hydrogen 2.774 N/A ASP 85.A N LYS 81.A O no hydrogen 2.910 N/A ALA 86.A N LYS 82.A O no hydrogen 2.830 N/A SER 87.A N PHE 83.A O no hydrogen 2.860 N/A SER 87.A N MET 84.A O no hydrogen 3.126 N/A SER 87.A OG PHE 83.A O no hydrogen 2.967 N/A ALA 88.A N ASP 85.A O no hydrogen 3.281 N/A GLY 91.A N SER 87.A O no hydrogen 2.521 N/A LEU 96.A N PRO 93.A O no hydrogen 2.867 N/A ILE 97.A N PRO 93.A O no hydrogen 2.931 N/A LYS 98.A N LEU 94.A O no hydrogen 2.739 N/A LYS 98.A NZ PHE 268.A O no hydrogen 3.036 N/A LYS 98.A NZ ASP 271.A OD1 no hydrogen 2.699 N/A SER 99.A N PRO 95.A O no hydrogen 3.012 N/A TYR 100.A N LEU 96.A O no hydrogen 2.888 N/A LEU 101.A N ILE 97.A O no hydrogen 2.939 N/A PHE 102.A N LYS 98.A O no hydrogen 3.002 N/A GLN 103.A N SER 99.A O no hydrogen 3.008 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.573 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 3.072 N/A GLN 103.A NE2 GLY 132.A O no hydrogen 2.924 N/A LEU 104.A N TYR 100.A O no hydrogen 2.920 N/A LEU 105.A N LEU 101.A O no hydrogen 2.915 N/A GLN 106.A N PHE 102.A O no hydrogen 2.962 N/A GLN 106.A NE2 PHE 102.A O no hydrogen 3.619 N/A GLY 107.A N GLN 103.A O no hydrogen 2.973 N/A LEU 108.A N LEU 104.A O no hydrogen 2.827 N/A ALA 109.A N LEU 105.A O no hydrogen 2.763 N/A PHE 110.A N GLN 106.A O no hydrogen 3.018 N/A CYS 111.A N GLY 107.A O no hydrogen 3.026 N/A CYS 111.A SG GLY 107.A O no hydrogen 3.471 N/A HIS 112.A N LEU 108.A O no hydrogen 2.752 N/A HIS 112.A NE2 ASP 168.A OD2 no hydrogen 2.940 N/A SER 113.A N ALA 109.A O no hydrogen 2.966 N/A SER 113.A OG PHE 110.A O no hydrogen 2.697 N/A SER 113.A OG HIS 114.A ND1 no hydrogen 3.286 N/A HIS 114.A N CYS 111.A O no hydrogen 2.870 N/A HIS 114.A ND1 PHE 110.A O no hydrogen 3.228 N/A ARG 115.A N HIS 112.A O no hydrogen 2.816 N/A VAL 116.A N CYS 111.A O no hydrogen 2.960 N/A HIS 118.A N ASP 168.A OD2 no hydrogen 2.799 N/A HIS 118.A NE2 ALA 137.A O no hydrogen 2.709 N/A ARG 119.A N ASP 168.A OD1 no hydrogen 2.780 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 3.058 N/A LYS 122.A N ASN 125.A OD1 no hydrogen 3.007 N/A LYS 122.A NZ ASP 120.A OD2 no hydrogen 3.076 N/A ASN 125.A N LYS 122.A O no hydrogen 2.805 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 2.868 N/A LEU 126.A N PRO 123.A O no hydrogen 3.161 N/A LEU 127.A N LYS 135.A O no hydrogen 2.871 N/A ILE 128.A N GLN 78.A O no hydrogen 2.884 N/A ASN 129.A N ALA 133.A O no hydrogen 3.233 N/A THR 130.A OG1 GLU 131.A OE2 no hydrogen 3.251 N/A GLY 132.A N ASN 129.A O no hydrogen 3.470 N/A ALA 133.A N ASN 129.A OD1 no hydrogen 3.018 N/A ILE 134.A N GLN 103.A OE1 no hydrogen 3.128 N/A LYS 135.A N LEU 127.A O no hydrogen 2.708 N/A LYS 135.A NZ GLU 74.A OE1 no hydrogen 3.402 N/A LYS 135.A NZ GLU 74.A OE2 no hydrogen 2.848 N/A LEU 136.A N ASN 55.A O no hydrogen 2.872 N/A ALA 137.A N ASN 125.A O no hydrogen 2.825 N/A LEU 141.A N ASP 138.A O no hydrogen 3.351 N/A ALA 144.A N GLY 140.A O no hydrogen 3.548 N/A ALA 144.A N LEU 141.A O no hydrogen 3.414 N/A GLU 146.A N HIS 145.A O no hydrogen 2.253 N/A TRP 151.A N THR 149.A OG1 no hydrogen 3.331 N/A TYR 152.A OH GLU 178.A OE1 no hydrogen 2.740 N/A ARG 153.A N.A LEU 150.A O no hydrogen 3.036 N/A ARG 153.A N.B LEU 150.A O no hydrogen 3.045 N/A ARG 153.A NH1.B ASP 120.A OD1 no hydrogen 3.295 N/A ARG 153.A NH2.B ASP 120.A OD1 no hydrogen 2.852 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.767 N/A ILE 157.A N ALA 154.A O no hydrogen 3.060 N/A LEU 158.A N ALA 154.A O no hydrogen 3.276 N/A LEU 159.A N PRO 155.A O no hydrogen 2.787 N/A GLY 160.A N ILE 157.A O no hydrogen 3.016 N/A ALA 166.A N SER 164.A OG no hydrogen 3.032 N/A VAL 167.A N SER 164.A O no hydrogen 2.972 N/A ASP 168.A N THR 165.A O no hydrogen 3.065 N/A TRP 170.A N ALA 166.A O no hydrogen 3.051 N/A SER 171.A N VAL 167.A O no hydrogen 3.170 N/A SER 171.A OG TYR 152.A O no hydrogen 2.699 N/A SER 171.A OG VAL 167.A O no hydrogen 3.111 N/A LEU 172.A N ASP 168.A O no hydrogen 2.952 N/A GLY 173.A N ILE 169.A O no hydrogen 2.970 N/A CYS 174.A N TRP 170.A O no hydrogen 3.003 N/A CYS 174.A SG TRP 170.A O no hydrogen 3.513 N/A ILE 175.A N SER 171.A O no hydrogen 2.979 N/A PHE 176.A N LEU 172.A O no hydrogen 2.822 N/A ALA 177.A N GLY 173.A O no hydrogen 3.026 N/A GLU 178.A N CYS 174.A O no hydrogen 3.121 N/A MET 179.A N ILE 175.A O no hydrogen 2.878 N/A VAL 180.A N PHE 176.A O no hydrogen 3.136 N/A THR 181.A N ALA 177.A O no hydrogen 2.922 N/A THR 181.A OG1 ALA 177.A O no hydrogen 2.930 N/A THR 181.A OG1 ARG 183.A O no hydrogen 3.178 N/A ARG 182.A N GLU 178.A O no hydrogen 2.926 N/A ARG 182.A NH1 ALA 88.A O no hydrogen 3.188 N/A GLY 188.A N PHE 186.A O no hydrogen 2.917 N/A GLY 188.A N GLN 194.A OE1 no hydrogen 2.870 N/A ASP 189.A N ASP 193.A OD2 no hydrogen 3.059 N/A ASP 193.A N SER 190.A OG no hydrogen 3.002 N/A GLN 194.A N SER 190.A O no hydrogen 2.830 N/A GLN 194.A NE2 TRP 151.A O no hydrogen 3.201 N/A GLN 194.A NE2 PHE 186.A O no hydrogen 2.934 N/A LEU 195.A N GLU 191.A O no hydrogen 3.028 N/A PHE 196.A N ILE 192.A O no hydrogen 2.860 N/A ARG 197.A N ASP 193.A O no hydrogen 2.926 N/A ARG 197.A NE ASP 193.A OD2 no hydrogen 3.022 N/A ILE 198.A N GLN 194.A O no hydrogen 3.090 N/A PHE 199.A N LEU 195.A O no hydrogen 2.877 N/A ARG 200.A N PHE 196.A O no hydrogen 2.925 N/A ARG 200.A NH2 ASP 193.A OD1 no hydrogen 3.559 N/A THR 201.A N ILE 198.A O no hydrogen 3.137 N/A THR 201.A OG1 ARG 197.A O no hydrogen 3.530 N/A LEU 202.A N ILE 198.A O no hydrogen 2.784 N/A THR 204.A N TRP 226.A O no hydrogen 3.019 N/A THR 204.A OG1 PRO 224.A O no hydrogen 2.692 N/A VAL 209.A N ASP 206.A OD1 no hydrogen 3.149 N/A TRP 210.A N ASP 206.A O no hydrogen 2.967 N/A GLY 212.A N GLU 207.A OE1 no hydrogen 2.704 N/A VAL 213.A N TRP 210.A O no hydrogen 3.021 N/A THR 214.A N GLU 207.A OE2 no hydrogen 3.023 N/A THR 214.A OG1 GLU 207.A OE2 no hydrogen 2.381 N/A SER 215.A N GLY 212.A O no hydrogen 3.087 N/A MET 216.A N.A VAL 213.A O no hydrogen 3.070 N/A MET 216.A N.B VAL 213.A O no hydrogen 3.065 N/A ASP 218.A N LEU 159.A O no hydrogen 2.778 N/A TYR 219.A N MET 216.A O.A no hydrogen 3.114 N/A TYR 219.A N MET 216.A O.B no hydrogen 3.029 N/A PHE 223.A N LYS 220.A O no hydrogen 2.902 N/A LYS 225.A NZ TYR 219.A OH no hydrogen 3.387 N/A LYS 225.A NZ PRO 221.A O no hydrogen 3.567 N/A LYS 225.A NZ PHE 223.A O no hydrogen 3.039 N/A TRP 226.A N THR 204.A OG1 no hydrogen 2.919 N/A ARG 228.A NH1 LEU 202.A O no hydrogen 2.966 N/A GLN 229.A N THR 201.A O no hydrogen 2.854 N/A LYS 233.A N ASP 230.A O no hydrogen 2.846 N/A VAL 234.A N ASP 230.A O no hydrogen 3.242 N/A VAL 235.A N PHE 231.A O no hydrogen 2.975 N/A LEU 238.A N VAL 235.A O no hydrogen 2.827 N/A GLY 242.A N ASP 239.A OD1 no hydrogen 2.889 N/A ARG 243.A N ASP 239.A O no hydrogen 2.868 N/A ARG 243.A NH1 LEU 238.A O no hydrogen 3.201 N/A ARG 243.A NH2 GLU 240.A OE1 no hydrogen 2.393 N/A SER 244.A N GLU 240.A O no hydrogen 2.851 N/A SER 244.A OG HIS 266.A NE2 no hydrogen 3.198 N/A LEU 245.A N ASP 241.A O no hydrogen 2.968 N/A LEU 246.A N GLY 242.A O no hydrogen 2.787 N/A SER 247.A N.A ARG 243.A O no hydrogen 2.923 N/A SER 247.A N.B ARG 243.A O no hydrogen 2.956 N/A SER 247.A OG.A ARG 243.A O no hydrogen 3.527 N/A SER 247.A OG.A SER 244.A O no hydrogen 2.642 N/A GLN 248.A N.A SER 244.A O no hydrogen 3.194 N/A GLN 248.A N.A LEU 245.A O no hydrogen 3.050 N/A GLN 248.A N.B SER 244.A O no hydrogen 3.191 N/A GLN 248.A NE2.A SER 244.A O no hydrogen 3.289 N/A MET 249.A N LEU 245.A O no hydrogen 3.033 N/A MET 249.A N LEU 246.A O no hydrogen 2.985 N/A LEU 250.A N LEU 246.A O no hydrogen 2.964 N/A LEU 250.A N SER 247.A O.B no hydrogen 3.039 N/A HIS 251.A N GLN 248.A O.A no hydrogen 3.476 N/A TYR 252.A OH GLY 203.A O no hydrogen 2.591 N/A ASN 255.A N ASP 253.A OD1 no hydrogen 3.013 N/A ASN 255.A ND2 ASP 253.A OD1 no hydrogen 2.872 N/A LYS 256.A N ASP 253.A O no hydrogen 2.805 N/A LYS 256.A NZ ASP 253.A OD2 no hydrogen 3.001 N/A ARG 257.A N ASP 253.A O no hydrogen 3.015 N/A ARG 257.A NE HIS 251.A O no hydrogen 2.871 N/A ARG 257.A NH1 GLU 156.A OE1 no hydrogen 3.386 N/A ARG 257.A NH1 GLU 156.A OE2 no hydrogen 2.899 N/A ARG 257.A NH1 ALA 166.A O no hydrogen 2.935 N/A ARG 257.A NH2 GLU 156.A OE1 no hydrogen 2.896 N/A ARG 257.A NH2 HIS 251.A O no hydrogen 3.211 N/A ARG 257.A NH2 TYR 252.A O no hydrogen 2.965 N/A ILE 258.A N GLN 248.A O.A no hydrogen 3.200 N/A ILE 258.A N GLN 248.A O.B no hydrogen 2.924 N/A ALA 262.A N SER 259.A OG no hydrogen 3.032 N/A ALA 263.A N SER 259.A O no hydrogen 2.927 N/A LEU 264.A N ALA 260.A O no hydrogen 3.030 N/A ALA 265.A N ALA 262.A O no hydrogen 3.078 N/A HIS 266.A N ALA 263.A O no hydrogen 3.012 N/A HIS 266.A NE2 SER 244.A OG no hydrogen 3.198 N/A PHE 268.A N HIS 266.A ND1 no hydrogen 2.953 N/A PHE 269.A N HIS 266.A O no hydrogen 3.030 N/A GLN 270.A N PRO 267.A O no hydrogen 3.007 N/A VAL 272.A N PHE 269.A O no hydrogen 3.063 N/A ARG 280.A NE LEU 279.A O no hydrogen 3.191 N/A