Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pnr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 137.A OE1 no hydrogen 2.531 N/A VAL 6.A N ASN 2.A O no hydrogen 3.260 N/A ILE 7.A N TYR 3.A O no hydrogen 2.739 N/A LYS 8.A N GLU 4.A O no hydrogen 3.369 N/A LYS 9.A NZ TYR 10.A OH no hydrogen 3.499 N/A TYR 10.A N ILE 7.A O no hydrogen 2.978 N/A TYR 10.A OH GLU 240.A OE2 no hydrogen 2.839 N/A ARG 11.A N ILE 7.A O no hydrogen 2.736 N/A ARG 11.A NE GLU 14.A O no hydrogen 3.052 N/A ARG 11.A NH1 GLU 137.A OE2 no hydrogen 2.885 N/A ARG 11.A NH2 GLU 14.A O no hydrogen 3.454 N/A GLY 12.A N LYS 8.A O no hydrogen 3.413 N/A PHE 16.A N ASN 15.A OD1 no hydrogen 2.511 N/A HIS 18.A ND1 PHE 16.A O no hydrogen 2.600 N/A ALA 19.A N ASP 17.A OD1 no hydrogen 2.517 N/A TYR 21.A N PHE 180.A O no hydrogen 2.825 N/A TRP 23.A N VAL 178.A O no hydrogen 3.009 N/A TRP 23.A NE1 LEU 139.A O no hydrogen 2.871 N/A ARG 24.A N ASP 22.A OD1 no hydrogen 2.958 N/A ARG 24.A NE ASP 22.A OD1 no hydrogen 3.065 N/A ARG 24.A NE ASP 22.A OD2 no hydrogen 3.202 N/A ARG 24.A NH2 ASP 22.A OD2 no hydrogen 2.643 N/A LEU 25.A N ASP 22.A O no hydrogen 2.876 N/A HIS 26.A N TRP 23.A O no hydrogen 2.934 N/A GLY 28.A N TRP 23.A O no hydrogen 3.027 N/A THR 30.A OG1 GLU 51.A OE1 no hydrogen 2.479 N/A LYS 33.A NZ GLU 51.A OE2 no hydrogen 2.924 N/A LYS 33.A NZ GLU 66.A OE1 no hydrogen 3.178 N/A LYS 33.A NZ GLU 66.A OE2 no hydrogen 2.933 N/A LYS 33.A NZ ASP 100.A OD2 no hydrogen 3.074 N/A GLN 35.A N SER 204.A O no hydrogen 2.915 N/A GLN 35.A NE2 CYS 38.A O no hydrogen 2.904 N/A LYS 36.A N ASP 34.A OD1 no hydrogen 2.786 N/A CYS 38.A SG TYR 105.A OH no hydrogen 3.738 N/A GLY 39.A N CYS 79.A O no hydrogen 2.692 N/A SER 40.A N CYS 38.A O no hydrogen 2.847 N/A SER 40.A OG TYR 105.A OH no hydrogen 2.957 N/A TRP 42.A NE1 GLY 78.A O no hydrogen 3.150 N/A ALA 43.A N SER 40.A O no hydrogen 2.785 N/A PHE 44.A N SER 40.A O no hydrogen 3.384 N/A SER 45.A N ALA 41.A O no hydrogen 2.885 N/A SER 45.A OG SER 146.A OG no hydrogen 2.650 N/A SER 45.A OG VAL 175.A O no hydrogen 2.631 N/A SER 46.A N TRP 42.A O no hydrogen 3.408 N/A SER 46.A OG TRP 42.A O no hydrogen 2.524 N/A ILE 47.A N ALA 43.A O no hydrogen 2.932 N/A GLY 48.A N PHE 44.A O no hydrogen 2.788 N/A SER 49.A N SER 45.A O no hydrogen 2.983 N/A SER 49.A OG SER 45.A O no hydrogen 3.308 N/A VAL 50.A N SER 46.A O no hydrogen 3.187 N/A GLU 51.A N ILE 47.A O no hydrogen 2.924 N/A SER 52.A N GLY 48.A O no hydrogen 3.010 N/A SER 52.A OG GLY 28.A O no hydrogen 2.374 N/A GLN 53.A N SER 49.A O no hydrogen 3.199 N/A GLN 53.A NE2 LEU 142.A O no hydrogen 2.988 N/A TYR 54.A N VAL 50.A O no hydrogen 3.086 N/A TYR 54.A OH GLY 123.A O no hydrogen 2.977 N/A ALA 55.A N GLU 51.A O no hydrogen 3.070 N/A ILE 56.A N SER 52.A O no hydrogen 2.882 N/A ARG 57.A N GLN 53.A O no hydrogen 2.829 N/A ARG 57.A NE GLN 53.A OE1 no hydrogen 3.405 N/A ARG 57.A NH2 PHE 141.A O no hydrogen 2.940 N/A ARG 57.A NH2 LEU 142.A O no hydrogen 3.224 N/A LYS 58.A N TYR 54.A O no hydrogen 3.288 N/A LYS 60.A N TYR 54.A O no hydrogen 3.039 N/A THR 63.A OG1 ASP 100.A OD1 no hydrogen 2.747 N/A THR 63.A OG1 ASP 100.A OD2 no hydrogen 3.414 N/A LEU 64.A N GLU 51.A OE2 no hydrogen 2.943 N/A SER 65.A N CYS 98.A O no hydrogen 2.928 N/A SER 65.A OG TYR 103.A O no hydrogen 2.542 N/A GLU 66.A N GLU 66.A OE1 no hydrogen 2.833 N/A GLN 67.A NE2 ASP 71.A OD1 no hydrogen 2.878 N/A GLN 67.A NE2 ASP 71.A OD2 no hydrogen 3.502 N/A VAL 70.A N GLU 66.A O no hydrogen 2.884 N/A ASP 71.A N GLN 67.A O no hydrogen 2.764 N/A CYS 72.A N GLU 68.A O no hydrogen 2.582 N/A CYS 72.A SG GLU 68.A O no hydrogen 3.268 N/A CYS 72.A SG TYR 103.A OH no hydrogen 3.868 N/A SER 73.A N LEU 69.A O no hydrogen 3.013 N/A SER 73.A OG ASP 90.A OD2 no hydrogen 2.396 N/A LYS 75.A N ASP 90.A OD2 no hydrogen 3.354 N/A ASN 76.A N SER 73.A O no hydrogen 3.305 N/A ASN 76.A ND2 SER 73.A OG no hydrogen 3.293 N/A ASN 76.A ND2 LEU 83.A O no hydrogen 3.419 N/A TYR 77.A N GLY 81.A O no hydrogen 2.960 N/A CYS 79.A SG SER 107.A O no hydrogen 3.417 N/A ASN 80.A N TYR 77.A O no hydrogen 2.861 N/A LEU 83.A N ASN 76.A OD1 no hydrogen 2.625 N/A ASN 86.A ND2 ASN 76.A OD1 no hydrogen 3.320 N/A ALA 87.A N LEU 83.A O no hydrogen 3.157 N/A ALA 87.A N ILE 84.A O no hydrogen 2.938 N/A PHE 88.A N ILE 84.A O no hydrogen 3.200 N/A GLU 89.A N ASN 85.A O no hydrogen 2.976 N/A ASP 90.A N ASN 86.A O no hydrogen 2.983 N/A MET 91.A N ALA 87.A O no hydrogen 3.065 N/A ILE 92.A N PHE 88.A O no hydrogen 2.991 N/A GLU 93.A N GLU 89.A O no hydrogen 2.974 N/A LEU 94.A N ASP 90.A O no hydrogen 2.988 N/A GLY 95.A N ILE 92.A O no hydrogen 2.889 N/A GLY 96.A N MET 91.A O no hydrogen 3.019 N/A ILE 97.A N TYR 122.A O no hydrogen 2.729 N/A CYS 98.A N GLU 68.A OE1 no hydrogen 2.860 N/A CYS 98.A SG GLU 68.A OE1 no hydrogen 3.728 N/A ASP 100.A N THR 63.A O no hydrogen 3.211 N/A ASP 102.A N PRO 99.A O no hydrogen 3.023 N/A TYR 103.A OH ASP 71.A OD2 no hydrogen 2.817 N/A TYR 105.A OH GLN 35.A O no hydrogen 2.570 N/A TYR 105.A OH SER 40.A OG no hydrogen 2.957 N/A VAL 106.A N GLN 67.A OE1 no hydrogen 2.814 N/A ALA 109.A N VAL 106.A O no hydrogen 3.129 N/A ASN 111.A ND2 ASP 71.A OD2 no hydrogen 2.461 N/A ASN 114.A N TYR 103.A OH no hydrogen 3.472 N/A ASP 116.A N ASN 114.A OD1 no hydrogen 2.957 N/A ARG 117.A NH2 ASP 102.A O no hydrogen 3.482 N/A CYS 118.A SG GLU 120.A O no hydrogen 3.496 N/A LYS 121.A NZ ILE 115.A O no hydrogen 2.794 N/A LYS 121.A NZ ASP 116.A OD1 no hydrogen 3.406 N/A TYR 122.A N ILE 97.A O no hydrogen 3.024 N/A LYS 125.A N LEU 238.A O no hydrogen 2.619 N/A ASN 126.A N LEU 238.A O no hydrogen 3.296 N/A TYR 127.A N ASN 126.A OD1 no hydrogen 2.933 N/A LEU 128.A N ILE 236.A O no hydrogen 2.921 N/A VAL 130.A N ALA 234.A O no hydrogen 2.834 N/A LYS 134.A N PRO 131.A O no hydrogen 2.940 N/A LYS 134.A NZ GLU 137.A OE1 no hydrogen 3.443 N/A LYS 136.A NZ HIS 18.A O no hydrogen 2.736 N/A LYS 136.A NZ ASP 220.A O no hydrogen 3.132 N/A LYS 136.A NZ GLU 221.A O no hydrogen 3.354 N/A ALA 138.A N LYS 134.A O no hydrogen 2.907 N/A LEU 139.A N LEU 135.A O no hydrogen 2.836 N/A ARG 140.A N LYS 136.A O no hydrogen 2.657 N/A ARG 140.A NH1 ARG 140.A O no hydrogen 2.839 N/A PHE 141.A N GLU 137.A O no hydrogen 3.073 N/A LEU 142.A N ALA 138.A O no hydrogen 2.793 N/A GLY 143.A N ALA 138.A O no hydrogen 3.104 N/A GLY 143.A N LEU 139.A O no hydrogen 3.204 N/A ILE 145.A N LEU 177.A O no hydrogen 2.851 N/A SER 146.A N PHE 235.A O no hydrogen 2.934 N/A SER 146.A OG SER 45.A OG no hydrogen 2.650 N/A ILE 147.A N VAL 175.A O no hydrogen 2.941 N/A SER 148.A N ASP 233.A O no hydrogen 3.087 N/A VAL 149.A N HIS 173.A O no hydrogen 3.002 N/A ALA 150.A N CYS 228.A O no hydrogen 2.827 N/A VAL 151.A N ASN 172.A OD1 no hydrogen 2.936 N/A SER 152.A OG GLU 166.A O no hydrogen 2.753 N/A ASP 154.A N SER 152.A OG no hydrogen 3.239 N/A ALA 156.A N ASP 153.A O no hydrogen 3.416 N/A PHE 157.A N ASP 154.A O no hydrogen 2.824 N/A TYR 158.A N PHE 155.A O no hydrogen 3.182 N/A TYR 158.A OH GLY 161.A O no hydrogen 2.608 N/A GLY 161.A N GLU 211.A OE2 no hydrogen 2.657 N/A PHE 163.A N ASN 216.A O no hydrogen 2.797 N/A GLU 166.A N ASP 154.A OD2 no hydrogen 2.912 N/A GLY 168.A N ALA 150.A O no hydrogen 3.094 N/A ASN 172.A N VAL 149.A O no hydrogen 2.817 N/A ASN 172.A ND2 VAL 151.A O no hydrogen 3.395 N/A HIS 173.A N VAL 149.A O no hydrogen 3.134 N/A HIS 173.A NE2 ASN 203.A OD1 no hydrogen 2.941 N/A VAL 175.A N ILE 147.A O no hydrogen 3.012 N/A MET 176.A N LYS 202.A O no hydrogen 3.036 N/A LEU 177.A N ILE 145.A O no hydrogen 2.876 N/A VAL 178.A N ILE 200.A O no hydrogen 2.900 N/A PHE 180.A N TYR 21.A O no hydrogen 2.792 N/A GLY 181.A N TYR 198.A O no hydrogen 2.879 N/A LYS 183.A N HIS 196.A O no hydrogen 2.952 N/A ILE 185.A N GLU 194.A O no hydrogen 2.860 N/A ASN 187.A N LYS 192.A O no hydrogen 2.790 N/A ASN 187.A ND2 GLU 194.A OE2 no hydrogen 2.651 N/A THR 190.A N ASN 187.A OD1 no hydrogen 3.015 N/A LYS 191.A N ASN 187.A O no hydrogen 2.449 N/A GLU 194.A N ILE 185.A O no hydrogen 2.993 N/A HIS 196.A N LYS 183.A O no hydrogen 2.873 N/A HIS 196.A ND1 GLU 194.A O no hydrogen 2.615 N/A TYR 198.A N GLY 181.A O no hydrogen 2.871 N/A TYR 199.A N ILE 217.A O no hydrogen 2.711 N/A TYR 199.A OH GLY 223.A O no hydrogen 2.788 N/A ILE 200.A N GLY 179.A O no hydrogen 2.906 N/A ILE 201.A N ILE 215.A O no hydrogen 2.903 N/A LYS 202.A N MET 176.A O no hydrogen 2.593 N/A LYS 202.A NZ THR 30.A O no hydrogen 2.954 N/A ASN 203.A N GLY 213.A O no hydrogen 3.234 N/A SER 204.A N ASN 203.A OD1 no hydrogen 2.709 N/A SER 204.A OG GLN 35.A OE1 no hydrogen 3.032 N/A GLY 206.A N LYS 33.A O no hydrogen 2.915 N/A GLN 207.A NE2 VAL 32.A O no hydrogen 3.660 N/A TRP 209.A NE1 PHE 155.A O no hydrogen 2.643 N/A GLU 211.A N PHE 214.A O no hydrogen 2.870 N/A ARG 212.A N GLY 210.A O no hydrogen 2.887 N/A GLY 213.A N TRP 209.A O no hydrogen 2.708 N/A PHE 214.A N GLU 211.A O no hydrogen 3.072 N/A ILE 215.A N ILE 201.A O no hydrogen 2.986 N/A ASN 216.A N TYR 158.A OH no hydrogen 3.407 N/A ASN 216.A ND2 GLY 161.A O no hydrogen 3.250 N/A ASN 216.A ND2 GLU 211.A OE1 no hydrogen 3.108 N/A ILE 217.A N TYR 199.A O no hydrogen 2.911 N/A THR 219.A N TYR 197.A O no hydrogen 3.120 N/A THR 219.A OG1 ASP 220.A OD1 no hydrogen 3.463 N/A THR 219.A OG1 MET 225.A O no hydrogen 2.617 N/A SER 222.A OG ASP 220.A OD1 no hydrogen 3.300 N/A GLY 223.A N ASP 220.A O no hydrogen 2.891 N/A GLY 223.A N ASP 220.A OD1 no hydrogen 2.757 N/A LEU 224.A N ASP 220.A OD1 no hydrogen 2.921 N/A MET 225.A N ASP 220.A OD1 no hydrogen 3.124 N/A MET 225.A N ASP 220.A OD2 no hydrogen 3.218 N/A ARG 226.A NE LEU 230.A O no hydrogen 2.953 N/A LEU 230.A N LYS 227.A O no hydrogen 2.982 N/A GLY 231.A N SER 148.A O no hydrogen 3.079 N/A THR 232.A N GLY 229.A O no hydrogen 3.205 N/A THR 232.A OG1 GLY 229.A O no hydrogen 2.705 N/A ASP 233.A N SER 148.A OG no hydrogen 2.976 N/A PHE 235.A N SER 146.A O no hydrogen 2.893 N/A ILE 236.A N LEU 128.A O no hydrogen 3.015 N/A LEU 238.A N ASN 126.A O no hydrogen 2.778 N/A