Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3l72_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 10.A N ASP 125.A OD2 no hydrogen 2.920 N/A TRP 12.A N PHE 10.A O no hydrogen 3.091 N/A TRP 12.A NE1 ASP 125.A OD2 no hydrogen 2.502 N/A HIS 14.A NE2 GLU 124.A OE2 no hydrogen 2.714 N/A GLY 15.A N TRP 12.A O no hydrogen 3.108 N/A SER 19.A N GLY 16.A O no hydrogen 3.004 N/A SER 19.A OG GLY 16.A O no hydrogen 2.642 N/A LEU 21.A N ASP 199.A OD1 no hydrogen 2.965 N/A HIS 23.A NE2 ASP 199.A OD2 no hydrogen 3.087 N/A SER 24.A N ASP 22.A OD1 no hydrogen 3.136 N/A SER 24.A OG ASP 22.A OD1 no hydrogen 3.494 N/A SER 25.A OG ASP 185.A OD1 no hydrogen 2.690 N/A SER 25.A OG THR 188.A OG1 no hydrogen 3.324 N/A VAL 26.A N ASP 22.A O no hydrogen 3.137 N/A ARG 27.A N HIS 23.A O no hydrogen 3.034 N/A ARG 27.A NH1 THR 55.A O no hydrogen 2.925 N/A ARG 27.A NH1 GLU 60.A OE1 no hydrogen 3.472 N/A ARG 27.A NH1 GLU 60.A OE2 no hydrogen 2.882 N/A ARG 27.A NH2 GLU 60.A OE1 no hydrogen 2.721 N/A ARG 28.A N SER 24.A O no hydrogen 3.336 N/A ARG 28.A NE ASP 185.A OD2 no hydrogen 2.687 N/A ARG 28.A NH1 ASP 173.A OD2 no hydrogen 2.869 N/A ARG 28.A NH2 ASP 185.A OD1 no hydrogen 3.288 N/A GLY 29.A N SER 25.A O no hydrogen 3.018 N/A PHE 30.A N VAL 26.A O no hydrogen 2.858 N/A GLN 31.A N ARG 27.A O no hydrogen 3.457 N/A VAL 32.A N ARG 28.A O no hydrogen 3.060 N/A TYR 33.A N GLY 29.A O no hydrogen 2.956 N/A TYR 33.A OH HIS 41.A O no hydrogen 2.829 N/A LYS 34.A N PHE 30.A O no hydrogen 2.562 N/A LYS 34.A NZ GLU 67.A OE1 no hydrogen 3.171 N/A GLN 35.A N GLN 31.A O no hydrogen 2.569 N/A VAL 36.A N VAL 32.A O no hydrogen 2.834 N/A CYS 37.A N VAL 32.A O no hydrogen 3.410 N/A CYS 37.A SG VAL 32.A O no hydrogen 3.631 N/A SER 38.A N TYR 33.A O no hydrogen 2.765 N/A SER 38.A OG TYR 33.A O no hydrogen 2.817 N/A SER 38.A OG LYS 34.A O no hydrogen 2.792 N/A CYS 40.A N CYS 37.A O no hydrogen 2.748 N/A CYS 40.A SG TYR 95.A OH no hydrogen 3.553 N/A HIS 41.A N CYS 37.A O no hydrogen 2.623 N/A HIS 41.A ND1 PRO 111.A O no hydrogen 2.747 N/A SER 42.A OG ASP 44.A OD2 no hydrogen 3.540 N/A SER 42.A OG ASP 112.A OD2 no hydrogen 2.714 N/A ASP 44.A N ASP 112.A OD2 no hydrogen 2.647 N/A TYR 45.A N SER 114.A OG no hydrogen 3.039 N/A VAL 46.A N MET 43.A O no hydrogen 3.131 N/A PHE 48.A N ASP 89.A O no hydrogen 3.227 N/A ARG 49.A N ILE 87.A O no hydrogen 2.864 N/A ASN 50.A N ALA 47.A O no hydrogen 2.723 N/A LEU 51.A N PHE 48.A O no hydrogen 3.142 N/A ILE 52.A N ARG 49.A O no hydrogen 2.963 N/A GLY 53.A N HIS 56.A O no hydrogen 3.115 N/A VAL 54.A N LEU 51.A O no hydrogen 2.974 N/A THR 55.A N LEU 51.A O no hydrogen 2.996 N/A THR 55.A OG1 HIS 56.A ND1 no hydrogen 2.780 N/A HIS 56.A N LEU 51.A O no hydrogen 3.078 N/A HIS 56.A ND1 THR 55.A OG1 no hydrogen 2.780 N/A THR 57.A N GLU 60.A OE2 no hydrogen 3.211 N/A ALA 61.A N THR 57.A O no hydrogen 2.930 N/A LYS 62.A N GLU 58.A O no hydrogen 3.084 N/A ALA 63.A N ALA 59.A O no hydrogen 3.105 N/A LEU 64.A N GLU 60.A O no hydrogen 2.929 N/A ALA 65.A N ALA 61.A O no hydrogen 3.083 N/A GLU 66.A N LYS 62.A O no hydrogen 3.075 N/A GLU 66.A N ALA 63.A O no hydrogen 2.881 N/A GLU 67.A N ALA 63.A O no hydrogen 3.110 N/A GLU 67.A N LEU 64.A O no hydrogen 3.282 N/A VAL 70.A N ARG 83.A O no hydrogen 2.699 N/A ASP 72.A N PHE 81.A O no hydrogen 2.804 N/A ASP 75.A N GLU 79.A O no hydrogen 2.790 N/A GLY 78.A N ASP 75.A O no hydrogen 3.060 N/A GLU 79.A N ASP 75.A OD1 no hydrogen 3.041 N/A PHE 81.A N ASP 72.A O no hydrogen 3.267 N/A ARG 83.A N VAL 70.A O no hydrogen 2.913 N/A ARG 83.A NH1 ASP 89.A OD2 no hydrogen 3.353 N/A ARG 83.A NH2 ASP 89.A OD1 no hydrogen 2.883 N/A ARG 83.A NH2 ASP 89.A OD2 no hydrogen 3.029 N/A GLY 85.A N VAL 68.A O no hydrogen 2.801 N/A LYS 86.A N ASP 89.A OD2 no hydrogen 2.928 N/A ASP 89.A N LYS 86.A O no hydrogen 2.909 N/A PHE 91.A N VAL 46.A O no hydrogen 3.006 N/A LYS 93.A NZ ASP 44.A OD1 no hydrogen 3.104 N/A ALA 100.A N ASN 97.A OD1 no hydrogen 3.068 N/A ALA 101.A N ASN 97.A O no hydrogen 2.919 N/A ARG 102.A N PRO 98.A O no hydrogen 2.592 N/A ARG 102.A NH1 GLY 107.A O no hydrogen 2.315 N/A ALA 103.A N GLU 99.A O no hydrogen 3.064 N/A ALA 104.A N ALA 100.A O no hydrogen 3.162 N/A ALA 104.A N ALA 101.A O no hydrogen 3.122 N/A ASN 105.A N ARG 102.A O no hydrogen 2.735 N/A ASN 105.A ND2 TYR 95.A OH no hydrogen 2.846 N/A ASN 105.A ND2 ALA 101.A O no hydrogen 3.378 N/A ASN 106.A ND2 ASN 105.A O no hydrogen 2.960 N/A GLY 107.A N ARG 102.A O no hydrogen 2.817 N/A LEU 113.A N SER 42.A O no hydrogen 2.740 N/A SER 114.A N ASP 112.A OD1 no hydrogen 2.782 N/A SER 114.A OG ASP 112.A OD1 no hydrogen 2.810 N/A SER 114.A OG ASP 112.A OD2 no hydrogen 3.518 N/A ILE 116.A N LEU 113.A O no hydrogen 3.175 N/A ASN 118.A N TYR 115.A O no hydrogen 3.060 N/A ALA 119.A N ILE 116.A O no hydrogen 2.835 N/A ARG 120.A N ILE 116.A O no hydrogen 3.144 N/A ARG 120.A NH1 ALA 119.A O no hydrogen 3.167 N/A GLY 123.A N ARG 120.A O no hydrogen 3.101 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.544 N/A TYR 126.A N GLY 122.A O no hydrogen 3.267 N/A TYR 126.A N GLY 123.A O no hydrogen 2.780 N/A VAL 127.A N GLY 123.A O no hydrogen 2.957 N/A PHE 128.A N GLU 124.A O no hydrogen 2.728 N/A SER 129.A N ASP 125.A O no hydrogen 3.269 N/A SER 129.A OG ASP 125.A O no hydrogen 2.843 N/A LEU 130.A N TYR 126.A O no hydrogen 2.941 N/A LEU 131.A N VAL 127.A O no hydrogen 3.100 N/A THR 132.A N PHE 128.A O no hydrogen 2.980 N/A THR 132.A OG1 PHE 128.A O no hydrogen 3.070 N/A THR 132.A OG1 THR 132.A O no hydrogen 2.570 N/A TYR 134.A OH MET 160.A O no hydrogen 2.442 N/A CYS 135.A N TYR 149.A O no hydrogen 3.404 N/A CYS 135.A SG GLY 133.A O no hydrogen 4.033 N/A CYS 135.A SG ASP 136.A O no hydrogen 3.889 N/A VAL 141.A N PRO 138.A O no hydrogen 3.145 N/A LEU 147.A N ARG 144.A O no hydrogen 2.999 N/A HIS 148.A N ILE 158.A O no hydrogen 2.766 N/A ASN 150.A N GLN 156.A O no hydrogen 2.719 N/A ASN 150.A ND2 LEU 130.A O no hydrogen 2.724 N/A TYR 152.A N ASN 150.A OD1 no hydrogen 3.093 N/A GLN 156.A N PHE 153.A O no hydrogen 2.681 N/A GLN 156.A NE2 PRO 151.A O no hydrogen 3.519 N/A ILE 158.A N HIS 148.A O no hydrogen 2.991 N/A GLU 167.A N ALA 177.A O no hydrogen 2.829 N/A ILE 168.A N TYR 165.A O no hydrogen 2.813 N/A GLY 174.A N TYR 171.A O no hydrogen 2.753 N/A THR 175.A N ASP 173.A OD1 no hydrogen 2.741 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 2.901 N/A THR 175.A OG1 ASP 173.A OD2 no hydrogen 2.810 N/A THR 178.A N PRO 176.A O no hydrogen 2.821 N/A MET 179.A N ASN 166.A OD1 no hydrogen 2.981 N/A GLN 181.A N THR 178.A OG1 no hydrogen 3.352 N/A GLN 181.A NE2 ASP 185.A OD2 no hydrogen 2.827 N/A ILE 182.A N THR 178.A O no hydrogen 3.185 N/A ILE 182.A N MET 179.A O no hydrogen 2.823 N/A ALA 183.A N MET 179.A O no hydrogen 2.969 N/A LYS 184.A N SER 180.A O no hydrogen 2.846 N/A LYS 184.A NZ SER 25.A OG no hydrogen 3.148 N/A ASP 185.A N GLN 181.A O no hydrogen 3.230 N/A VAL 186.A N ILE 182.A O no hydrogen 2.878 N/A CYS 187.A N ALA 183.A O no hydrogen 3.093 N/A CYS 187.A SG GLU 124.A O no hydrogen 3.866 N/A CYS 187.A SG ALA 183.A O no hydrogen 3.224 N/A THR 188.A N LYS 184.A O no hydrogen 2.996 N/A THR 188.A OG1 SER 25.A OG no hydrogen 3.324 N/A THR 188.A OG1 LYS 184.A O no hydrogen 3.563 N/A PHE 189.A N ASP 185.A O no hydrogen 2.962 N/A LEU 190.A N VAL 186.A O no hydrogen 2.703 N/A ARG 191.A N CYS 187.A O no hydrogen 3.036 N/A ARG 191.A NH1 ASN 118.A OD1 no hydrogen 3.311 N/A ARG 191.A NH2 ASN 118.A OD1 no hydrogen 3.385 N/A ARG 191.A NH2 GLU 124.A OE1 no hydrogen 2.827 N/A TRP 192.A N THR 188.A O no hydrogen 3.373 N/A ALA 193.A N PHE 189.A O no hydrogen 2.861 N/A ALA 194.A N LEU 190.A O no hydrogen 3.244 N/A ALA 194.A N ARG 191.A O no hydrogen 3.004 N/A GLU 195.A N ARG 191.A O no hydrogen 3.086 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.949 N/A HIS 198.A N GLU 195.A O no hydrogen 2.536 N/A HIS 198.A ND1 ASP 199.A OD1 no hydrogen 2.987 N/A ARG 201.A N GLU 197.A O no hydrogen 2.895 N/A LYS 202.A N HIS 198.A O no hydrogen 3.100 N/A LYS 202.A N ASP 199.A O no hydrogen 2.916 N/A LYS 202.A NZ HIS 14.A O no hydrogen 2.951 N/A LYS 202.A NZ GLY 16.A O no hydrogen 2.744 N/A LYS 202.A NZ SER 19.A O no hydrogen 3.324 N/A LYS 202.A NZ HIS 198.A NE2 no hydrogen 3.114 N/A ARG 203.A N ASP 199.A O no hydrogen 2.949 N/A MET 204.A N GLN 200.A O no hydrogen 2.842 N/A GLY 205.A N ARG 201.A O no hydrogen 3.010 N/A LEU 206.A N LYS 202.A O no hydrogen 3.145 N/A LYS 207.A N ARG 203.A O no hydrogen 3.303 N/A MET 208.A N MET 204.A O no hydrogen 2.832 N/A LEU 209.A N GLY 205.A O no hydrogen 3.113 N/A LEU 210.A N LEU 206.A O no hydrogen 3.144 N/A ILE 211.A N LYS 207.A O no hydrogen 3.036 N/A SER 212.A N MET 208.A O no hydrogen 2.778 N/A ALA 213.A N LEU 209.A O no hydrogen 2.613 N/A LEU 214.A N LEU 210.A O no hydrogen 2.936 N/A LEU 215.A N ILE 211.A O no hydrogen 2.724 N/A THR 216.A N SER 212.A O no hydrogen 2.851 N/A THR 216.A OG1 SER 212.A O no hydrogen 3.056 N/A SER 217.A N ALA 213.A O no hydrogen 3.101 N/A SER 217.A OG ALA 213.A O no hydrogen 2.769 N/A LEU 218.A N LEU 214.A O no hydrogen 3.155 N/A LEU 219.A N LEU 215.A O no hydrogen 2.939 N/A TYR 220.A N THR 216.A O no hydrogen 2.936 N/A TYR 221.A N SER 217.A O no hydrogen 3.117 N/A MET 222.A N LEU 218.A O no hydrogen 2.954 N/A LYS 223.A N LEU 219.A O no hydrogen 2.848 N/A ARG 224.A N TYR 220.A O no hydrogen 2.890 N/A HIS 225.A N TYR 221.A O no hydrogen 2.658 N/A LYS 226.A N MET 222.A O no hydrogen 3.184 N/A TRP 227.A N LYS 223.A O no hydrogen 3.068 N/A SER 228.A N ARG 224.A O no hydrogen 2.809 N/A SER 228.A OG HIS 225.A O no hydrogen 2.496 N/A VAL 229.A N LYS 226.A O no hydrogen 3.282 N/A LEU 230.A N TRP 227.A O no hydrogen 2.630 N/A LYS 231.A N TRP 227.A O no hydrogen 2.852 N/A SER 232.A N SER 228.A O no hydrogen 2.954 N/A SER 232.A OG SER 228.A O no hydrogen 3.044 N/A