Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pet_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 1.A OE2 no hydrogen 2.892 N/A VAL 2.A N ALA 101.A O no hydrogen 2.896 N/A ARG 3.A N THR 25.A O no hydrogen 2.953 N/A ARG 3.A NE.B GLU 1.A OE1 no hydrogen 2.561 N/A VAL 10.A N ARG 109.A O no hydrogen 2.802 N/A VAL 12.A N ASN 111.A O no hydrogen 3.017 N/A ARG 14.A N PHE 113.A O no hydrogen 2.741 N/A ARG 14.A NE.A GLN 85.A OE1.A no hydrogen 2.760 N/A ARG 14.A NH2.A GLN 85.A OE1.A no hydrogen 3.435 N/A GLY 15.A N ALA 84.A O no hydrogen 2.807 N/A LYS 16.A N MET 13.A O no hydrogen 3.036 N/A VAL 18.A N LEU 81.A O no hydrogen 2.993 N/A LEU 20.A N LEU 79.A O no hydrogen 2.866 N/A THR 23.A OG1 ASP 21.A OD1 no hydrogen 2.640 N/A THR 25.A N ARG 3.A O no hydrogen 2.967 N/A HIS 30.A NE2 GLU 51.A OE2 no hydrogen 2.638 N/A TYR 31.A N MET 52.A O no hydrogen 2.889 N/A MET 32.A N ARG 97.A O no hydrogen 2.751 N/A LEU 33.A N ALA 50.A O no hydrogen 2.845 N/A GLU 34.A N VAL 95.A O no hydrogen 2.805 N/A TRP 35.A N ALA 48.A O no hydrogen 2.836 N/A TRP 35.A NE1 GLY 77.A O no hydrogen 2.771 N/A PHE 36.A N VAL 93.A O no hydrogen 2.912 N/A LEU 37.A N PRO 45.A O no hydrogen 2.931 N/A THR 38.A N ASP 91.A O no hydrogen 3.210 N/A THR 38.A OG1 ASP 39.A O no hydrogen 3.332 N/A THR 38.A OG1 ALA 43.A O no hydrogen 3.010 N/A SER 41.A N ASP 39.A OD1 no hydrogen 2.862 N/A SER 41.A OG ASP 39.A OD1 no hydrogen 2.291 N/A GLY 42.A N ASP 39.A O no hydrogen 2.736 N/A ALA 43.A N SER 41.A OG no hydrogen 3.004 N/A ARG 44.A NH1 GLU 105.A OE1 no hydrogen 2.995 N/A ARG 44.A NH2 GLU 105.A OE1 no hydrogen 3.542 N/A ARG 44.A NH2 GLU 105.A OE2 no hydrogen 2.739 N/A ARG 46.A NE GLU 34.A OE2 no hydrogen 2.880 N/A ARG 46.A NH2 GLU 34.A OE1 no hydrogen 3.208 N/A ARG 46.A NH2 GLU 34.A OE2 no hydrogen 3.032 N/A LEU 47.A N TRP 35.A O no hydrogen 2.897 N/A ALA 48.A N TRP 35.A O no hydrogen 3.505 N/A SER 49.A N THR 60.A O no hydrogen 2.920 N/A SER 49.A OG GLU 34.A OE2 no hydrogen 2.922 N/A SER 49.A OG HIS 62.A NE2 no hydrogen 2.877 N/A ALA 50.A N LEU 33.A O no hydrogen 2.818 N/A GLU 51.A N GLN 58.A O no hydrogen 2.684 N/A MET 52.A N TYR 31.A O no hydrogen 2.715 N/A GLN 53.A N GLU 56.A O no hydrogen 3.189 N/A GLU 56.A N GLN 53.A O no hydrogen 3.112 N/A GLN 58.A N GLU 51.A O no hydrogen 2.801 N/A GLN 58.A NE2.A GLU 56.A OE2 no hydrogen 2.665 N/A THR 60.A N SER 49.A O no hydrogen 2.857 N/A HIS 62.A N LEU 47.A O no hydrogen 2.820 N/A HIS 62.A NE2 SER 49.A OG no hydrogen 2.877 N/A THR 64.A OG1 HIS 62.A O no hydrogen 3.270 N/A ARG 67.A N ASP 63.A OD2 no hydrogen 3.441 N/A ARG 67.A NE ASP 88.A OD1 no hydrogen 2.924 N/A ARG 67.A NE ASP 88.A OD2 no hydrogen 3.432 N/A ARG 67.A NH1 PRO 69.A O no hydrogen 2.785 N/A ARG 67.A NH1 ALA 82.A O no hydrogen 3.033 N/A ARG 67.A NH2 ALA 82.A O no hydrogen 2.912 N/A ARG 67.A NH2 ASP 88.A OD2 no hydrogen 2.742 N/A GLN 72.A N VAL 80.A O no hydrogen 3.273 N/A ASP 74.A N ARG 78.A O no hydrogen 2.976 N/A GLN 76.A N ASP 74.A OD1 no hydrogen 2.985 N/A GLY 77.A N ASP 74.A O no hydrogen 2.946 N/A ARG 78.A N ASP 74.A OD1 no hydrogen 2.828 N/A ARG 78.A NE ASP 74.A OD2 no hydrogen 2.738 N/A ARG 78.A NH2 ASP 74.A OD2 no hydrogen 3.044 N/A VAL 80.A N GLN 72.A O no hydrogen 2.758 N/A LEU 81.A N VAL 18.A O no hydrogen 2.795 N/A GLU 83.A N SER 17.A OG no hydrogen 3.258 N/A ALA 84.A N LYS 16.A O no hydrogen 2.787 N/A GLN 85.A N ASP 88.A OD2 no hydrogen 2.906 N/A GLN 85.A NE2.B ASP 88.A OD2 no hydrogen 2.681 N/A ASP 88.A N GLN 85.A O no hydrogen 2.850 N/A GLU 89.A N VAL 86.A O no hydrogen 2.969 N/A ARG 90.A N LEU 110.A O no hydrogen 3.286 N/A TYR 92.A N ALA 108.A O no hydrogen 2.770 N/A TYR 92.A OH ASP 88.A O no hydrogen 2.705 N/A VAL 93.A N PHE 36.A O no hydrogen 2.892 N/A CYS 94.A N ALA 106.A O no hydrogen 2.964 N/A VAL 95.A N GLU 34.A O no hydrogen 2.916 N/A VAL 96.A N ALA 104.A O no hydrogen 2.887 N/A ARG 97.A N MET 32.A O no hydrogen 2.758 N/A ALA 98.A N GLY 102.A O no hydrogen 2.839 N/A ALA 101.A N ALA 98.A O no hydrogen 3.080 N/A GLY 102.A N GLY 99.A O no hydrogen 2.843 N/A ALA 104.A N VAL 96.A O no hydrogen 3.114 N/A ALA 106.A N CYS 94.A O no hydrogen 2.942 N/A ALA 108.A N TYR 92.A O no hydrogen 2.867 N/A ARG 109.A N PRO 8.A O no hydrogen 2.884 N/A LEU 110.A N ARG 90.A O no hydrogen 2.949 N/A ASN 111.A N VAL 10.A O no hydrogen 2.832 N/A VAL 112.A N GLU 89.A OE1 no hydrogen 2.716 N/A PHE 113.A N VAL 12.A O no hydrogen 2.915 N/A ALA 114.A N ASN 147.A O no hydrogen 2.870 N/A GLU 117.A N ARG 144.A O no hydrogen 2.853 N/A THR 119.A OG1 LEU 220.A O no hydrogen 2.716 N/A GLU 120.A N ASN 142.A O no hydrogen 2.980 N/A SER 122.A N THR 140.A O no hydrogen 2.782 N/A ASN 124.A N ILE 138.A O no hydrogen 2.792 N/A ASN 124.A ND2 THR 127.A OG1 no hydrogen 2.900 N/A ASN 124.A ND2 GLU 137.A O no hydrogen 2.872 N/A GLY 126.A N ASN 124.A OD1 no hydrogen 2.808 N/A THR 127.A N ASN 124.A OD1 no hydrogen 3.080 N/A SER 129.A N GLN 136.A OE1 no hydrogen 3.104 N/A SER 129.A OG HIS 230.A O no hydrogen 2.889 N/A MET 131.A N SER 129.A OG no hydrogen 3.222 N/A GLU 132.A N SER 129.A O no hydrogen 3.285 N/A SER 134.A N GLU 132.A O no hydrogen 3.183 N/A SER 134.A OG GLU 132.A OE2 no hydrogen 2.667 N/A GLN 136.A N LEU 193.A O no hydrogen 2.925 N/A GLN 136.A NE2 SER 129.A O no hydrogen 2.820 N/A ILE 138.A N LEU 191.A O no hydrogen 2.754 N/A THR 140.A N SER 122.A O no hydrogen 2.961 N/A THR 140.A OG1 THR 190.A OG1 no hydrogen 2.713 N/A CYS 141.A N SER 189.A O no hydrogen 2.828 N/A CYS 141.A SG GLU 120.A O no hydrogen 3.864 N/A ASN 142.A N GLU 120.A O no hydrogen 2.878 N/A SER 143.A N LEU 187.A O no hydrogen 2.972 N/A ARG 144.A NH1 GLU 120.A OE2 no hydrogen 3.105 N/A ASN 145.A N SER 186.A OG no hydrogen 2.944 N/A ASN 145.A ND2 GLU 117.A OE2 no hydrogen 2.769 N/A GLY 146.A N LEU 185.A O no hydrogen 2.848 N/A ASN 147.A N ALA 114.A O no hydrogen 2.961 N/A ASN 147.A ND2 GLU 89.A OE2 no hydrogen 3.260 N/A ASN 147.A ND2 VAL 112.A O no hydrogen 2.798 N/A LYS 151.A N HIS 209.A O no hydrogen 2.944 N/A THR 153.A N ALA 207.A O no hydrogen 3.005 N/A THR 153.A OG1.A TYR 155.A OH no hydrogen 2.966 N/A THR 153.A OG1.A HIS 209.A NE2 no hydrogen 2.700 N/A THR 153.A OG1.B HIS 209.A NE2 no hydrogen 3.108 N/A TRP 154.A NE1 SER 189.A OG no hydrogen 3.003 N/A TYR 155.A N HIS 205.A O no hydrogen 2.857 N/A TYR 155.A OH THR 153.A OG1.A no hydrogen 2.966 N/A ARG 156.A N GLN 159.A O no hydrogen 2.891 N/A ARG 156.A NE ASP 199.A OD1 no hydrogen 3.102 N/A ARG 156.A NH1 ASP 199.A OD1 no hydrogen 2.997 N/A ARG 156.A NH1 ASP 199.A OD2 no hydrogen 3.529 N/A ASN 157.A N SER 203.A O no hydrogen 2.779 N/A GLN 159.A N ARG 156.A O no hydrogen 2.887 N/A LEU 161.A N TRP 154.A O no hydrogen 2.730 N/A ASN 168.A ND2 GLU 166.A O no hydrogen 2.956 N/A ASN 168.A ND2 GLY 171.A O no hydrogen 2.933 N/A GLU 170.A N ASN 168.A OD1 no hydrogen 2.925 N/A GLY 171.A N ASN 168.A OD1 no hydrogen 3.028 N/A TYR 172.A N TYR 192.A O no hydrogen 2.945 N/A MET 173.A N PRO 164.A O no hydrogen 2.987 N/A THR 174.A N THR 190.A O no hydrogen 2.863 N/A ARG 176.A N THR 188.A O no hydrogen 2.975 N/A VAL 178.A N SER 186.A O no hydrogen 2.903 N/A ARG 179.A NH1 GLY 183.A O no hydrogen 2.854 N/A GLU 180.A N LEU 184.A O no hydrogen 2.739 N/A GLY 183.A N GLU 180.A O no hydrogen 2.847 N/A LEU 184.A N SER 182.A OG no hydrogen 3.209 N/A LEU 185.A N GLY 146.A O no hydrogen 2.780 N/A SER 186.A N VAL 178.A O no hydrogen 2.940 N/A SER 186.A OG GLU 180.A OE2 no hydrogen 2.625 N/A LEU 187.A N SER 143.A O no hydrogen 2.877 N/A THR 188.A N ARG 176.A O no hydrogen 2.976 N/A THR 188.A OG1.A CYS 141.A O no hydrogen 3.329 N/A SER 189.A N CYS 141.A O no hydrogen 2.904 N/A SER 189.A OG THR 174.A O no hydrogen 3.109 N/A THR 190.A N THR 174.A O no hydrogen 3.164 N/A THR 190.A OG1 THR 140.A OG1 no hydrogen 2.713 N/A LEU 191.A N ALA 139.A O no hydrogen 3.152 N/A TYR 192.A N TYR 172.A O no hydrogen 2.798 N/A LEU 193.A N GLN 136.A O no hydrogen 2.857 N/A ARG 194.A N GLU 170.A O no hydrogen 2.878 N/A ARG 194.A NE PRO 169.A O no hydrogen 3.069 N/A ARG 194.A NH1 ASP 133.A OD1 no hydrogen 2.697 N/A ARG 194.A NH2 ASP 133.A OD1 no hydrogen 3.471 N/A ARG 194.A NH2 PRO 169.A O no hydrogen 3.504 N/A ARG 196.A N ASP 199.A OD2 no hydrogen 2.814 N/A ARG 196.A NH2 ASP 198.A OD2 no hydrogen 2.861 N/A LYS 197.A NZ ASP 198.A OD1 no hydrogen 3.407 N/A ASP 199.A N ARG 196.A O no hydrogen 2.865 N/A ARG 200.A N LYS 197.A O no hydrogen 3.102 N/A ASP 201.A N ASP 198.A O no hydrogen 2.955 N/A ALA 202.A N ASP 199.A O no hydrogen 3.191 N/A SER 203.A N ASN 157.A OD1 no hydrogen 2.947 N/A PHE 204.A N PHE 225.A O no hydrogen 2.831 N/A HIS 205.A N TYR 155.A O no hydrogen 3.209 N/A CYS 206.A N SER 222.A OG no hydrogen 2.978 N/A ALA 207.A N THR 153.A O no hydrogen 2.879 N/A ALA 208.A N LEU 220.A O no hydrogen 2.936 N/A HIS 209.A N LYS 151.A O no hydrogen 2.744 N/A HIS 209.A NE2 THR 153.A OG1.A no hydrogen 2.700 N/A TYR 210.A N GLY 218.A O no hydrogen 2.984 N/A LEU 212.A N ARG 216.A O no hydrogen 2.856 N/A GLU 214.A N GLU 11.A OE1 no hydrogen 2.756 N/A ARG 216.A N PRO 213.A O no hydrogen 3.200 N/A ARG 216.A NE GLU 214.A OE1 no hydrogen 2.852 N/A ARG 216.A NH2 GLU 214.A OE1 no hydrogen 2.902 N/A GLY 218.A N TYR 210.A O no hydrogen 2.942 N/A ARG 219.A NE ASP 221.A OD1 no hydrogen 2.928 N/A ARG 219.A NH2 ASP 221.A OD2 no hydrogen 3.463 N/A LEU 220.A N ALA 208.A O no hydrogen 2.828 N/A SER 222.A N CYS 206.A O no hydrogen 2.912 N/A SER 222.A OG CYS 206.A O no hydrogen 3.194 N/A SER 222.A OG PRO 223.A O no hydrogen 2.846 N/A PHE 225.A N PHE 204.A O no hydrogen 2.848 N/A HIS 230.A N LEU 128.A O no hydrogen 2.738 N/A HIS 230.A NE2 LYS 125.A O no hydrogen 3.036 N/A