Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a8s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG ASP 5.A O no hydrogen 3.483 N/A MET 6.A N SER 29.A O no hydrogen 3.261 N/A THR 7.A N THR 106.A O no hydrogen 3.081 N/A PHE 8.A N GLY 27.A O no hydrogen 3.024 N/A LYS 9.A N VAL 108.A O no hydrogen 3.201 N/A ILE 10.A N ALA 25.A O no hydrogen 2.517 N/A PHE 11.A N SER 110.A O no hydrogen 2.978 N/A ILE 12.A N ILE 23.A O no hydrogen 2.782 N/A ASP 13.A N ILE 112.A O no hydrogen 2.690 N/A GLY 14.A N PHE 21.A O no hydrogen 2.926 N/A GLU 15.A N VAL 114.A O no hydrogen 3.053 N/A VAL 16.A N GLN 19.A O no hydrogen 2.662 N/A ASN 17.A N CYS 116.A O no hydrogen 2.795 N/A ASN 17.A ND2 PHE 119.A O no hydrogen 3.257 N/A GLY 18.A N GLU 15.A OE1 no hydrogen 2.963 N/A GLN 19.A N VAL 16.A O no hydrogen 2.937 N/A PHE 21.A N GLY 14.A O no hydrogen 2.852 N/A ILE 23.A N ILE 12.A O no hydrogen 2.885 N/A VAL 24.A N VAL 41.A O no hydrogen 3.166 N/A ALA 25.A N ILE 10.A O no hydrogen 2.922 N/A ASP 26.A N HIS 39.A O no hydrogen 3.044 N/A GLY 27.A N PHE 8.A O no hydrogen 3.082 N/A SER 29.A N MET 6.A O no hydrogen 2.934 N/A SER 29.A OG HIS 33.A ND1 no hydrogen 2.978 N/A PHE 31.A N ASP 5.A OD1 no hydrogen 2.915 N/A HIS 33.A ND1 SER 29.A OG no hydrogen 2.978 N/A HIS 33.A NE2 PHE 2.A O no hydrogen 2.844 N/A GLY 34.A N PHE 62.A O no hydrogen 2.546 N/A PHE 36.A N GLU 209.A O no hydrogen 3.106 N/A VAL 38.A N GLN 207.A O no hydrogen 3.065 N/A HIS 39.A N ASP 26.A O no hydrogen 2.913 N/A ALA 40.A N VAL 205.A O no hydrogen 3.083 N/A VAL 41.A N VAL 24.A O no hydrogen 2.805 N/A CYS 42.A N ASP 203.A O no hydrogen 3.125 N/A CYS 42.A SG THR 44.A OG1 no hydrogen 3.404 N/A CYS 42.A SG GLY 45.A O no hydrogen 2.800 N/A GLU 43.A N THR 22.A O no hydrogen 3.007 N/A GLY 45.A N CYS 42.A O no hydrogen 3.154 N/A LEU 47.A N ASP 203.A OD2 no hydrogen 2.816 N/A SER 50.A N ILE 125.A O no hydrogen 3.141 N/A TRP 51.A NE1 ASP 203.A OD1 no hydrogen 3.211 N/A LYS 52.A N SER 50.A OG no hydrogen 3.145 N/A LYS 52.A NZ LEU 130.A O no hydrogen 3.452 N/A ILE 54.A N TRP 51.A O no hydrogen 2.732 N/A CYS 55.A N LYS 52.A O no hydrogen 2.885 N/A CYS 55.A SG LYS 52.A O no hydrogen 3.245 N/A LEU 57.A N ILE 54.A O no hydrogen 2.813 N/A ILE 58.A N ILE 54.A O no hydrogen 3.359 N/A PHE 62.A N GLU 59.A O no hydrogen 2.791 N/A ALA 63.A N PRO 60.A O no hydrogen 3.082 N/A ARG 64.A N ALA 211.A O no hydrogen 3.000 N/A TYR 65.A OH HIS 186.A NE2 no hydrogen 3.151 N/A HIS 71.A NE2 ALA 63.A O no hydrogen 2.491 N/A GLN 74.A N HIS 71.A O no hydrogen 2.783 N/A GLN 74.A NE2 PHE 61.A O no hydrogen 2.922 N/A GLU 75.A N HIS 71.A O no hydrogen 3.150 N/A CYS 76.A N PHE 72.A O no hydrogen 3.117 N/A CYS 76.A SG PHE 72.A O no hydrogen 3.444 N/A PHE 77.A N GLN 74.A O no hydrogen 2.760 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.180 N/A LEU 81.A N TYR 101.A O no hydrogen 3.433 N/A SER 82.A N THR 173.A O no hydrogen 2.621 N/A SER 82.A OG HIS 99.A O no hydrogen 3.374 N/A ILE 83.A N HIS 99.A O no hydrogen 3.204 N/A ASP 84.A N LYS 171.A O no hydrogen 2.860 N/A ARG 85.A N SER 97.A O no hydrogen 3.010 N/A ARG 85.A NH2 HIS 56.A O no hydrogen 2.910 N/A THR 86.A N ASP 169.A O no hydrogen 2.652 N/A VAL 87.A N MET 95.A O no hydrogen 3.244 N/A ARG 88.A N HIS 167.A O no hydrogen 3.114 N/A PHE 89.A N GLY 93.A O no hydrogen 3.270 N/A GLU 90.A N MET 165.A O no hydrogen 2.932 N/A ASP 92.A N PHE 89.A O no hydrogen 3.014 N/A GLY 93.A N ASP 92.A OD2 no hydrogen 2.568 N/A THR 94.A N ASP 117.A O no hydrogen 3.095 N/A MET 95.A N VAL 87.A O no hydrogen 2.929 N/A SER 97.A N ARG 85.A O no hydrogen 3.290 N/A HIS 98.A N THR 113.A O no hydrogen 2.931 N/A HIS 98.A NE2 SER 82.A OG no hydrogen 3.049 N/A HIS 99.A N ILE 83.A O no hydrogen 2.672 N/A TYR 101.A N LEU 81.A O no hydrogen 3.135 N/A GLU 102.A N VAL 109.A O no hydrogen 2.653 N/A CYS 107.A N ASP 104.A O no hydrogen 3.064 N/A CYS 107.A SG THR 7.A O no hydrogen 3.625 N/A CYS 107.A SG VAL 108.A O no hydrogen 3.981 N/A VAL 108.A N THR 7.A O no hydrogen 2.857 N/A VAL 109.A N GLU 102.A O no hydrogen 2.547 N/A SER 110.A N LYS 9.A O no hydrogen 3.077 N/A ARG 111.A N THR 100.A O no hydrogen 2.890 N/A ILE 112.A N PHE 11.A O no hydrogen 2.794 N/A THR 113.A N HIS 98.A O no hydrogen 3.242 N/A VAL 114.A N ASP 13.A O no hydrogen 3.260 N/A ASN 115.A N THR 96.A O no hydrogen 2.729 N/A CYS 116.A N GLU 15.A O no hydrogen 2.861 N/A ASP 117.A N THR 94.A O no hydrogen 3.122 N/A PHE 119.A N ASN 17.A OD1 no hydrogen 3.038 N/A GLN 120.A N ASP 92.A OD2 no hydrogen 2.503 N/A GLY 123.A N GLN 120.A O no hydrogen 2.921 N/A ARG 127.A N GLY 123.A O no hydrogen 2.999 N/A ARG 127.A NE ASP 122.A OD1 no hydrogen 3.260 N/A ARG 127.A NH2 ASP 122.A OD1 no hydrogen 2.533 N/A ASP 128.A N ILE 125.A O no hydrogen 3.112 N/A GLN 129.A N PRO 124.A O no hydrogen 2.629 N/A VAL 131.A N THR 157.A O no hydrogen 2.879 N/A LEU 134.A N GLY 155.A O no hydrogen 2.717 N/A ASN 136.A N ILE 190.A O no hydrogen 3.459 N/A THR 138.A N VAL 188.A O no hydrogen 2.990 N/A THR 138.A OG1 VAL 188.A O no hydrogen 2.551 N/A HIS 139.A N LEU 151.A O no hydrogen 2.823 N/A HIS 139.A ND1 GLU 137.A O no hydrogen 2.884 N/A MET 140.A N HIS 186.A O no hydrogen 2.592 N/A PHE 141.A N ARG 149.A O no hydrogen 2.860 N/A ALA 147.A N HIS 143.A O no hydrogen 2.915 N/A VAL 148.A N MET 172.A O no hydrogen 3.142 N/A ARG 149.A N PHE 141.A O no hydrogen 2.791 N/A ARG 149.A NE ASP 169.A OD1 no hydrogen 3.179 N/A ARG 149.A NH2 ASP 169.A OD2 no hydrogen 2.963 N/A GLN 150.A N SER 170.A O no hydrogen 2.748 N/A LEU 151.A N HIS 139.A O no hydrogen 2.980 N/A ALA 152.A N PHE 168.A O no hydrogen 3.005 N/A ILE 154.A N GLY 166.A O no hydrogen 3.028 N/A PHE 156.A N MET 164.A O no hydrogen 2.749 N/A THR 157.A N ASP 132.A O no hydrogen 3.269 N/A THR 158.A N GLY 162.A O no hydrogen 3.043 N/A ASP 160.A N THR 158.A OG1 no hydrogen 3.277 N/A GLY 162.A N THR 158.A OG1 no hydrogen 2.835 N/A MET 164.A N PHE 156.A O no hydrogen 2.675 N/A GLY 166.A N ILE 154.A O no hydrogen 2.601 N/A HIS 167.A N ARG 88.A O no hydrogen 2.632 N/A PHE 168.A N ALA 152.A O no hydrogen 2.899 N/A ASP 169.A N THR 86.A O no hydrogen 2.717 N/A SER 170.A N GLN 150.A O no hydrogen 2.875 N/A LYS 171.A N ASP 84.A O no hydrogen 2.720 N/A MET 172.A N VAL 148.A O no hydrogen 2.968 N/A THR 173.A N SER 82.A O no hydrogen 2.847 N/A PHE 174.A N ASN 146.A O no hydrogen 3.434 N/A ASN 175.A N GLY 80.A O no hydrogen 3.181 N/A ASN 175.A ND2 GLU 79.A O no hydrogen 3.055 N/A ARG 178.A NH2 GLU 79.A OE2 no hydrogen 2.029 N/A HIS 186.A N MET 140.A O no hydrogen 2.915 N/A HIS 186.A ND1 GLY 184.A O no hydrogen 2.701 N/A HIS 186.A NE2 TYR 65.A OH no hydrogen 3.151 N/A PHE 187.A N HIS 214.A O no hydrogen 3.107 N/A VAL 188.A N THR 138.A O no hydrogen 3.111 N/A THR 189.A N TYR 212.A O no hydrogen 2.957 N/A THR 189.A OG1 GLU 137.A OE1 no hydrogen 2.805 N/A THR 189.A OG1 GLU 137.A OE2 no hydrogen 3.177 N/A ILE 190.A N ASN 136.A O no hydrogen 3.089 N/A ILE 191.A N VAL 210.A O no hydrogen 2.975 N/A LYS 193.A N ARG 208.A O no hydrogen 2.892 N/A ASP 197.A N HIS 204.A O no hydrogen 3.313 N/A THR 198.A OG1 ASP 197.A O no hydrogen 2.151 N/A ARG 202.A NE ASP 200.A OD2 no hydrogen 2.876 N/A VAL 205.A N ALA 40.A O no hydrogen 2.852 N/A CYS 206.A N MET 195.A O no hydrogen 2.802 N/A CYS 206.A SG HIS 39.A ND1 no hydrogen 3.053 N/A GLN 207.A N VAL 38.A O no hydrogen 3.027 N/A GLN 207.A NE2 GLN 194.A OE1 no hydrogen 2.607 N/A ARG 208.A N LYS 193.A O no hydrogen 2.818 N/A ARG 208.A NE ASP 35.A OD1 no hydrogen 2.903 N/A ARG 208.A NH2 ASP 35.A OD1 no hydrogen 2.841 N/A ARG 208.A NH2 ASP 35.A OD2 no hydrogen 2.491 N/A GLU 209.A N PHE 36.A O no hydrogen 3.060 N/A VAL 210.A N ILE 191.A O no hydrogen 2.872 N/A ALA 211.A N GLY 34.A O no hydrogen 3.009 N/A TYR 212.A N THR 189.A O no hydrogen 3.239 N/A ALA 213.A N ARG 64.A O no hydrogen 3.145 N/A HIS 214.A N PHE 187.A O no hydrogen 2.925 N/A