Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5aku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ILE 89.A O no hydrogen 2.582 N/A ILE 3.A N CYS 50.A O no hydrogen 2.909 N/A ILE 5.A N LYS 48.A O no hydrogen 2.946 N/A LEU 7.A N ILE 46.A O no hydrogen 2.862 N/A ASP 10.A N SER 8.A OG no hydrogen 3.102 N/A ASP 11.A N SER 8.A O no hydrogen 2.998 N/A GLU 13.A N ASP 11.A OD1 no hydrogen 2.958 N/A GLN 15.A N ASP 11.A O no hydrogen 3.093 N/A GLN 15.A NE2 PRO 9.A O no hydrogen 2.978 N/A SER 16.A N.A LYS 12.A O no hydrogen 2.870 N/A SER 16.A N.B LYS 12.A O no hydrogen 2.865 N/A SER 16.A OG.A LYS 12.A O no hydrogen 3.310 N/A SER 16.A OG.A GLU 13.A O no hydrogen 2.777 N/A VAL 17.A N GLU 13.A O no hydrogen 3.111 N/A GLU 18.A N PHE 14.A O no hydrogen 2.896 N/A GLU 19.A N GLN 15.A O no hydrogen 2.937 N/A GLU 20.A N SER 16.A O.A no hydrogen 2.989 N/A GLU 20.A N SER 16.A O.B no hydrogen 3.016 N/A MET 21.A N VAL 17.A O no hydrogen 2.990 N/A GLN 22.A N GLU 18.A O no hydrogen 2.894 N/A GLN 22.A NE2 GLU 18.A OE2 no hydrogen 3.081 N/A GLN 22.A NE2 TYR 41.A O no hydrogen 2.880 N/A SER 23.A N GLU 19.A O no hydrogen 2.914 N/A SER 23.A OG GLU 19.A O no hydrogen 2.767 N/A THR 24.A OG1 GLU 20.A O no hydrogen 2.662 N/A THR 24.A OG1 MET 21.A O no hydrogen 3.351 N/A THR 24.A OG1 SER 114.A OG no hydrogen 3.282 N/A VAL 25.A N GLN 22.A O no hydrogen 3.499 N/A ARG 26.A N SER 115.A OG no hydrogen 3.007 N/A ARG 26.A NE ASN 113.A OD1 no hydrogen 2.965 N/A ARG 26.A NH1 GLU 27.A O no hydrogen 2.970 N/A HIS 28.A NE2 SER 115.A OG no hydrogen 2.722 N/A GLY 31.A N HIS 28.A O no hydrogen 3.028 N/A GLY 32.A N ASP 30.A OD1 no hydrogen 2.908 N/A HIS 33.A N ASP 30.A O no hydrogen 3.113 N/A ALA 34.A N ASP 30.A OD2 no hydrogen 2.895 N/A GLY 36.A N GLY 32.A O no hydrogen 2.806 N/A ILE 37.A N SER 137.A OG no hydrogen 3.031 N/A TYR 41.A N GLN 22.A OE1 no hydrogen 2.890 N/A TYR 41.A OH SER 114.A OG no hydrogen 2.691 N/A ASN 42.A N GLN 205.A O no hydrogen 2.839 N/A ASN 42.A ND2 GLN 205.A OE1 no hydrogen 2.934 N/A LEU 44.A N THR 203.A O no hydrogen 2.820 N/A LYS 45.A N THR 203.A O no hydrogen 3.192 N/A GLN 47.A N LEU 201.A O no hydrogen 2.844 N/A GLN 47.A NE2 ASP 6.A OD1 no hydrogen 3.148 N/A LYS 48.A N ILE 5.A O no hydrogen 2.754 N/A LYS 48.A NZ GLU 13.A OE2 no hydrogen 2.591 N/A VAL 49.A N GLU 199.A O no hydrogen 2.927 N/A CYS 50.A N ILE 3.A O no hydrogen 2.843 N/A ASN 51.A N TYR 197.A OH no hydrogen 3.015 N/A ASN 51.A ND2 THR 2.A OG1 no hydrogen 2.840 N/A LYS 52.A NZ GLU 56.A OE2 no hydrogen 2.941 N/A LEU 54.A N ASN 51.A OD1 no hydrogen 2.963 N/A TRP 55.A N ASN 51.A O no hydrogen 2.842 N/A GLU 56.A N LYS 52.A O no hydrogen 2.927 N/A ARG 57.A N LYS 53.A O no hydrogen 3.024 N/A ARG 57.A NH1 LYS 91.A O no hydrogen 3.395 N/A TYR 58.A N LEU 54.A O no hydrogen 3.002 N/A TYR 58.A OH GLU 75.A OE2 no hydrogen 2.640 N/A TYR 58.A OH THR 151.A OG1 no hydrogen 2.722 N/A THR 59.A N TRP 55.A O no hydrogen 2.901 N/A THR 59.A OG1 TRP 55.A O no hydrogen 3.301 N/A THR 59.A OG1 GLU 56.A O no hydrogen 3.318 N/A HIS 60.A N GLU 56.A O no hydrogen 3.024 N/A ARG 61.A N ARG 57.A O no hydrogen 3.220 N/A ARG 61.A NE GLN 195.A OE1 no hydrogen 3.062 N/A ARG 61.A NH1 GLU 64.A OE1 no hydrogen 3.142 N/A ARG 61.A NH2 GLN 195.A OE1 no hydrogen 3.008 N/A ARG 62.A N TYR 58.A O no hydrogen 2.858 N/A ARG 62.A NH1 GLU 75.A OE2 no hydrogen 2.898 N/A LYS 63.A N THR 59.A O no hydrogen 3.028 N/A LYS 63.A NZ GLU 67.A OE2 no hydrogen 3.105 N/A GLU 64.A N HIS 60.A O no hydrogen 3.198 N/A VAL 65.A N ARG 61.A O no hydrogen 2.889 N/A SER 66.A N ARG 62.A O no hydrogen 2.761 N/A GLU 67.A N LYS 63.A O no hydrogen 2.994 N/A GLU 68.A N GLU 64.A O no hydrogen 3.028 N/A ASN 69.A N VAL 65.A O no hydrogen 2.853 N/A ASN 69.A N SER 66.A O no hydrogen 3.163 N/A ASN 69.A ND2 HIS 72.A O no hydrogen 2.881 N/A HIS 70.A N GLU 67.A O no hydrogen 3.344 N/A ASN 71.A N SER 66.A O no hydrogen 2.704 N/A HIS 72.A N SER 66.A O no hydrogen 3.221 N/A ASN 74.A ND2 GLY 153.A O no hydrogen 2.899 N/A ARG 76.A N VAL 150.A O no hydrogen 2.807 N/A ARG 76.A NE ASN 74.A OD1 no hydrogen 3.381 N/A ARG 76.A NH2 ASN 74.A OD1 no hydrogen 2.976 N/A LEU 78.A N CYS 148.A O no hydrogen 2.890 N/A PHE 79.A N ALA 111.A O no hydrogen 2.868 N/A HIS 80.A N LEU 146.A O no hydrogen 2.869 N/A HIS 80.A ND1 TYR 109.A O no hydrogen 2.821 N/A PHE 84.A N SER 82.A OG no hydrogen 2.886 N/A VAL 85.A N SER 82.A O no hydrogen 3.370 N/A ILE 88.A N PHE 84.A O no hydrogen 2.908 N/A ILE 89.A N VAL 85.A O no hydrogen 3.139 N/A HIS 90.A N ALA 87.A O no hydrogen 3.279 N/A HIS 90.A ND1 ASN 86.A O no hydrogen 2.930 N/A LYS 91.A N ALA 87.A O no hydrogen 2.826 N/A GLY 92.A N ILE 88.A O no hydrogen 2.764 N/A ASP 94.A N HIS 97.A ND1 no hydrogen 3.123 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.787 N/A ARG 96.A N ASP 94.A OD1 no hydrogen 2.882 N/A HIS 97.A N ASP 94.A O no hydrogen 2.813 N/A ALA 98.A N GLU 95.A O no hydrogen 3.189 N/A TYR 99.A N GLY 107.A O no hydrogen 2.721 N/A GLY 102.A N TYR 99.A O no hydrogen 3.151 N/A PHE 104.A N TYR 109.A OH no hydrogen 2.902 N/A GLY 105.A N GLY 102.A O no hydrogen 3.290 N/A ILE 108.A N ILE 190.A O no hydrogen 2.801 N/A TYR 109.A OH GLY 105.A O no hydrogen 2.637 N/A PHE 110.A N TYR 188.A O no hydrogen 2.760 N/A ALA 111.A N PHE 79.A O no hydrogen 2.923 N/A GLU 112.A N ALA 186.A O no hydrogen 3.055 N/A ASN 113.A ND2 THR 24.A O no hydrogen 2.934 N/A SER 114.A N THR 24.A OG1 no hydrogen 3.105 N/A SER 114.A OG MET 21.A O no hydrogen 2.727 N/A SER 114.A OG THR 24.A OG1 no hydrogen 3.282 N/A SER 114.A OG TYR 41.A OH no hydrogen 2.691 N/A SER 115.A OG ARG 26.A O no hydrogen 3.430 N/A SER 115.A OG HIS 28.A NE2 no hydrogen 2.722 N/A LYS 116.A N ASN 113.A O no hydrogen 3.034 N/A LYS 116.A NZ GLN 119.A OE1 no hydrogen 2.796 N/A SER 117.A N ASN 113.A O no hydrogen 3.446 N/A ASN 118.A N SER 114.A O no hydrogen 2.921 N/A ASN 118.A ND2 GLY 35.A O no hydrogen 2.842 N/A GLN 119.A N LYS 116.A O no hydrogen 3.092 N/A TYR 120.A N SER 117.A O no hydrogen 2.951 N/A VAL 121.A N ASN 118.A O no hydrogen 3.450 N/A GLY 123.A N TYR 120.A O no hydrogen 2.962 N/A GLY 126.A N GLY 123.A O no hydrogen 2.931 N/A GLY 127.A N ILE 124.A O no hydrogen 3.062 N/A GLY 129.A N GLY 126.A O no hydrogen 2.880 N/A CYS 130.A N ASP 135.A O no hydrogen 3.162 N/A CYS 130.A SG HIS 133.A ND1 no hydrogen 3.588 N/A CYS 130.A SG ASP 135.A O no hydrogen 3.756 N/A LYS 134.A N CYS 130.A O no hydrogen 2.834 N/A ARG 136.A NE HIS 33.A O no hydrogen 2.921 N/A ARG 136.A NH1 GLY 127.A O no hydrogen 3.059 N/A SER 137.A N ASP 135.A OD1 no hydrogen 2.916 N/A SER 137.A OG TYR 139.A OH no hydrogen 3.180 N/A CYS 138.A N ASP 135.A O no hydrogen 3.251 N/A CYS 138.A SG HIS 133.A ND1 no hydrogen 3.496 N/A TYR 139.A OH ILE 37.A O no hydrogen 2.549 N/A CYS 141.A SG HIS 133.A ND1 no hydrogen 3.505 N/A ARG 143.A N TYR 204.A O no hydrogen 2.696 N/A ARG 143.A NH1 GLY 35.A O no hydrogen 2.928 N/A ARG 143.A NH1 ASN 118.A OD1 no hydrogen 3.021 N/A ARG 143.A NH2 ARG 136.A O no hydrogen 2.942 N/A ARG 143.A NH2 CYS 138.A O no hydrogen 3.207 N/A GLN 144.A NE2 THR 203.A OG1 no hydrogen 3.128 N/A LEU 145.A N ILE 202.A O no hydrogen 2.897 N/A LEU 146.A N HIS 80.A O no hydrogen 2.911 N/A PHE 147.A N TYR 200.A O no hydrogen 2.929 N/A CYS 148.A N LEU 78.A O no hydrogen 2.711 N/A ARG 149.A N TYR 197.A O no hydrogen 2.923 N/A ARG 149.A NE GLU 199.A OE1 no hydrogen 2.784 N/A ARG 149.A NH1 GLU 75.A OE1 no hydrogen 2.912 N/A ARG 149.A NH2 GLU 199.A OE1 no hydrogen 3.284 N/A ARG 149.A NH2 GLU 199.A OE2 no hydrogen 3.017 N/A VAL 150.A N ARG 76.A O no hydrogen 2.786 N/A THR 151.A N GLN 195.A O no hydrogen 2.833 N/A THR 151.A OG1 TYR 58.A OH no hydrogen 2.722 N/A LEU 152.A N ASN 74.A O no hydrogen 3.064 N/A GLY 153.A N ALA 73.A O no hydrogen 3.008 N/A LYS 154.A N HIS 172.A ND1 no hydrogen 3.117 N/A SER 155.A OG SER 173.A OG no hydrogen 2.836 N/A SER 155.A OG THR 175.A OG1 no hydrogen 2.604 N/A PHE 156.A N SER 173.A O no hydrogen 2.845 N/A GLN 158.A N THR 175.A O no hydrogen 2.743 N/A SER 160.A N ARG 177.A O no hydrogen 3.033 N/A ALA 165.A N ALA 106.A O no hydrogen 2.842 N/A HIS 171.A N PRO 168.A O no hydrogen 2.837 N/A HIS 171.A ND1 PRO 169.A O no hydrogen 2.898 N/A HIS 172.A N LYS 154.A O no hydrogen 2.763 N/A HIS 172.A NE2 GLU 68.A OE1 no hydrogen 2.787 N/A SER 173.A OG LEU 152.A O no hydrogen 2.572 N/A SER 173.A OG SER 155.A OG no hydrogen 2.836 N/A VAL 174.A N VAL 189.A O no hydrogen 2.919 N/A THR 175.A N PHE 156.A O no hydrogen 2.762 N/A THR 175.A OG1 SER 155.A OG no hydrogen 2.604 N/A GLY 176.A N GLU 187.A O no hydrogen 2.681 N/A ARG 177.A N GLN 158.A O no hydrogen 2.970 N/A SER 179.A N SER 160.A O no hydrogen 2.957 N/A SER 179.A OG SER 160.A O no hydrogen 2.763 N/A VAL 180.A N MET 162.A O no hydrogen 3.042 N/A ASN 181.A N MET 162.A O no hydrogen 3.188 N/A LEU 183.A N ASN 181.A OD1 no hydrogen 3.034 N/A ALA 184.A N ASN 181.A O no hydrogen 3.124 N/A LEU 185.A N ASN 113.A OD1 no hydrogen 2.821 N/A ALA 186.A N GLU 112.A OE1 no hydrogen 3.088 N/A GLU 187.A N GLY 176.A O no hydrogen 2.890 N/A TYR 188.A N PHE 110.A O no hydrogen 2.835 N/A TYR 188.A OH GLU 112.A OE2 no hydrogen 2.722 N/A VAL 189.A N VAL 174.A O no hydrogen 2.875 N/A ILE 190.A N ILE 108.A O no hydrogen 3.005 N/A TYR 191.A OH PHE 104.A O no hydrogen 2.808 N/A ARG 192.A NE GLU 194.A OE2 no hydrogen 3.568 N/A ARG 192.A NH2 GLU 194.A OE1 no hydrogen 2.521 N/A GLN 195.A N ARG 192.A O no hydrogen 3.137 N/A GLN 195.A NE2 THR 151.A O no hydrogen 2.958 N/A GLN 195.A NE2 HIS 172.A O no hydrogen 3.036 N/A ALA 196.A N GLY 193.A O no hydrogen 3.261 N/A TYR 197.A N ARG 149.A O no hydrogen 2.838 N/A TYR 197.A OH VAL 49.A O no hydrogen 2.697 N/A TYR 200.A N PHE 147.A O no hydrogen 3.037 N/A TYR 200.A OH GLU 13.A OE2 no hydrogen 2.556 N/A LEU 201.A N GLN 47.A O no hydrogen 2.790 N/A ILE 202.A N LEU 145.A O no hydrogen 2.853 N/A THR 203.A N LYS 45.A O no hydrogen 2.890 N/A TYR 204.A N ARG 143.A O no hydrogen 2.866 N/A TYR 204.A OH ASN 118.A OD1 no hydrogen 2.708 N/A GLN 205.A N ASN 42.A O no hydrogen 2.983 N/A GLN 205.A NE2 ILE 140.A O no hydrogen 2.870 N/A MET 207.A N ARG 40.A O no hydrogen 3.122 N/A