Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N LEU 85.A O no hydrogen 2.809 N/A SER 3.A OG GLU 11.A OE1 no hydrogen 3.478 N/A THR 8.A N GLU 11.A OE1 no hydrogen 3.019 N/A GLU 11.A N THR 8.A OG1 no hydrogen 3.124 N/A VAL 12.A N THR 8.A O no hydrogen 2.882 N/A LEU 13.A N ASN 9.A O no hydrogen 2.991 N/A ASP 14.A N GLU 10.A O no hydrogen 2.944 N/A ARG 15.A N GLU 11.A O no hydrogen 2.923 N/A ARG 15.A NH1 SER 3.A OG no hydrogen 2.812 N/A ARG 15.A NH1 ASN 6.A O no hydrogen 3.025 N/A ARG 15.A NH2 ASN 6.A O no hydrogen 2.817 N/A MET 16.A N VAL 12.A O no hydrogen 2.839 N/A LYS 17.A N LEU 13.A O no hydrogen 2.972 N/A VAL 18.A N ASP 14.A O no hydrogen 2.991 N/A ALA 19.A N ARG 15.A O no hydrogen 2.940 N/A GLU 20.A N MET 16.A O no hydrogen 3.000 N/A LEU 21.A N LYS 17.A O no hydrogen 3.088 N/A CYS 22.A N VAL 18.A O no hydrogen 3.107 N/A CYS 22.A SG VAL 18.A O no hydrogen 3.389 N/A LYS 23.A N ALA 19.A O no hydrogen 3.167 N/A GLY 24.A N GLU 20.A O no hydrogen 3.095 N/A GLY 24.A N LEU 21.A O no hydrogen 2.983 N/A TRP 25.A N CYS 22.A O no hydrogen 2.977 N/A SER 26.A OG LYS 23.A O no hydrogen 2.869 N/A VAL 27.A N LYS 23.A O no hydrogen 2.987 N/A TYR 28.A N GLY 24.A O no hydrogen 2.742 N/A ARG 29.A N TRP 25.A O no hydrogen 3.159 N/A ARG 29.A NH2 SER 64.A OG no hydrogen 2.861 N/A ALA 31.A N TYR 28.A O no hydrogen 3.253 N/A SER 32.A N ARG 29.A O no hydrogen 3.098 N/A GLU 33.A N TYR 28.A O no hydrogen 2.903 N/A ASN 36.A ND2 GLU 33.A OE1 no hydrogen 3.052 N/A PHE 37.A N GLU 33.A O no hydrogen 2.954 N/A LYS 38.A N TRP 34.A O no hydrogen 2.917 N/A LYS 38.A NZ.A ASP 58.A OD1 no hydrogen 2.807 N/A LYS 38.A NZ.B LYS 38.A O no hydrogen 3.109 N/A LYS 38.A NZ.B THR 42.A O no hydrogen 3.164 N/A GLU 39.A N ALA 35.A O no hydrogen 3.179 N/A MET 40.A N PHE 37.A O no hydrogen 2.993 N/A PHE 41.A N LYS 38.A O no hydrogen 3.027 N/A THR 42.A N ALA 133.A O no hydrogen 2.975 N/A THR 42.A OG1 ASP 44.A OD1 no hydrogen 2.903 N/A THR 42.A OG1 ALA 133.A O no hydrogen 3.540 N/A ALA 45.A N THR 42.A O no hydrogen 3.254 N/A ASN 46.A N ARG 134.A O no hydrogen 3.166 N/A ASN 46.A ND2 GLN 55.A O no hydrogen 3.484 N/A ILE 47.A N GLN 55.A O no hydrogen 2.846 N/A TRP 48.A N TYR 136.A O no hydrogen 3.299 N/A THR 49.A OG1 SER 52.A OG no hydrogen 2.654 N/A THR 50.A OG1 GLN 182.A OE1 no hydrogen 2.638 N/A SER 52.A N THR 49.A OG1 no hydrogen 2.960 N/A SER 52.A OG THR 49.A OG1 no hydrogen 2.654 N/A SER 52.A OG GLY 53.A O no hydrogen 2.848 N/A GLY 53.A N THR 49.A O no hydrogen 2.900 N/A GLN 55.A N ILE 47.A O no hydrogen 2.809 N/A GLN 55.A NE2 SER 52.A O no hydrogen 2.999 N/A THR 56.A N SER 59.A OG no hydrogen 2.984 N/A THR 56.A OG1 SER 59.A OG no hydrogen 3.189 N/A ILE 57.A N ALA 45.A O no hydrogen 2.925 N/A SER 59.A N THR 56.A OG1 no hydrogen 3.003 N/A SER 59.A OG GLN 55.A OE1 no hydrogen 2.599 N/A SER 59.A OG THR 56.A O no hydrogen 3.205 N/A SER 59.A OG THR 56.A OG1 no hydrogen 3.189 N/A PHE 60.A N THR 56.A O no hydrogen 2.797 N/A ILE 61.A N ILE 57.A O no hydrogen 2.983 N/A GLN 62.A N ASP 58.A O no hydrogen 3.087 N/A GLN 62.A NE2 ASP 66.A OD1 no hydrogen 2.965 N/A ILE 63.A N SER 59.A O no hydrogen 2.972 N/A SER 64.A N PHE 60.A O no hydrogen 2.912 N/A SER 64.A OG PHE 60.A O no hydrogen 2.701 N/A LYS 65.A N ILE 61.A O no hydrogen 2.957 N/A ASP 66.A N GLN 62.A O no hydrogen 3.008 N/A GLY 67.A N ILE 63.A O no hydrogen 2.953 N/A LYS 68.A N SER 64.A O no hydrogen 2.901 N/A LYS 68.A NZ ARG 29.A O no hydrogen 3.414 N/A ASP 69.A N LYS 65.A O no hydrogen 2.952 N/A LYS 70.A N ASP 66.A O no hydrogen 3.121 N/A LYS 70.A N GLY 67.A O no hydrogen 3.028 N/A GLY 71.A N LYS 68.A O no hydrogen 2.893 N/A ALA 72.A N GLY 67.A O no hydrogen 2.898 N/A MET 75.A N THR 101.A O no hydrogen 2.904 N/A HIS 76.A N ASP 30.A OD2 no hydrogen 2.819 N/A HIS 76.A ND1 ASP 30.A OD1 no hydrogen 2.769 N/A ARG 77.A N THR 99.A O no hydrogen 2.897 N/A ARG 77.A NH1 ASP 114.A OD2 no hydrogen 2.963 N/A CYS 79.A N LYS 97.A O no hydrogen 2.797 N/A CYS 79.A SG ARG 77.A O no hydrogen 3.298 N/A CYS 79.A SG THR 99.A OG1 no hydrogen 3.673 N/A GLY 80.A N GLU 78.A OE2 no hydrogen 2.929 N/A THR 81.A OG1 GLU 78.A OE2 no hydrogen 2.747 N/A LEU 82.A N LYS 95.A O no hydrogen 3.070 N/A ASP 84.A N ILE 93.A O no hydrogen 2.886 N/A LEU 85.A N SER 3.A O no hydrogen 2.783 N/A ASN 86.A N ARG 91.A O no hydrogen 2.833 N/A ASN 86.A ND2 MET 212.A O no hydrogen 2.995 N/A LYS 88.A N ASN 86.A OD1 no hydrogen 2.976 N/A LYS 88.A NZ ASN 86.A OD1 no hydrogen 3.092 N/A THR 89.A N ASN 86.A O no hydrogen 3.278 N/A THR 89.A OG1 MET 212.A O no hydrogen 2.842 N/A ARG 91.A N ASN 86.A O no hydrogen 3.404 N/A ARG 91.A NH1 TRP 211.A O no hydrogen 2.870 N/A ARG 91.A NH1 LYS 215.A O no hydrogen 2.916 N/A ALA 92.A N CYS 123.A O no hydrogen 2.900 N/A ILE 93.A N ASP 84.A O no hydrogen 2.837 N/A GLY 94.A N PHE 121.A O no hydrogen 2.883 N/A LYS 95.A N LEU 82.A O no hydrogen 2.907 N/A LYS 95.A NZ ASP 84.A OD2 no hydrogen 2.576 N/A MET 96.A N PHE 119.A O no hydrogen 2.916 N/A LYS 97.A N GLY 80.A O no hydrogen 2.841 N/A LYS 97.A NZ TYR 118.A OH no hydrogen 3.255 N/A THR 98.A N ASN 117.A O no hydrogen 3.051 N/A THR 98.A OG1 ASN 117.A OD1 no hydrogen 2.739 N/A THR 99.A N ARG 77.A O no hydrogen 2.828 N/A THR 99.A OG1 ASP 116.A OD1 no hydrogen 2.922 N/A ILE 100.A N CYS 115.A O no hydrogen 2.856 N/A THR 101.A N MET 75.A O no hydrogen 2.854 N/A THR 101.A OG1 ASP 114.A OD1 no hydrogen 2.718 N/A GLN 102.A N ILE 113.A O no hydrogen 3.068 N/A ARG 103.A N PHE 73.A O no hydrogen 3.030 N/A ARG 103.A NE ASP 112.A OD1 no hydrogen 2.754 N/A PHE 104.A N PHE 111.A O no hydrogen 2.783 N/A TYR 106.A N VAL 109.A O no hydrogen 3.043 N/A VAL 109.A N TYR 106.A O no hydrogen 2.912 N/A PHE 111.A N PHE 104.A O no hydrogen 3.063 N/A ASP 112.A N VAL 146.A O no hydrogen 2.927 N/A ILE 113.A N GLN 102.A O no hydrogen 2.984 N/A ASP 114.A N LYS 144.A O no hydrogen 3.196 N/A CYS 115.A N ILE 100.A O no hydrogen 2.830 N/A CYS 115.A SG ASP 116.A O no hydrogen 3.819 N/A CYS 115.A SG LYS 142.A O no hydrogen 3.860 N/A CYS 115.A SG GLY 174.A O no hydrogen 3.574 N/A ASP 116.A N LYS 142.A O no hydrogen 2.765 N/A ASN 117.A N THR 98.A O no hydrogen 2.976 N/A ASN 117.A ND2 CYS 115.A O no hydrogen 2.967 N/A TYR 118.A N PHE 139.A O no hydrogen 2.858 N/A PHE 119.A N MET 96.A O no hydrogen 2.740 N/A ILE 120.A N LYS 137.A O no hydrogen 2.870 N/A PHE 121.A N GLY 94.A O no hydrogen 2.929 N/A PHE 122.A N TRP 135.A O no hydrogen 2.854 N/A CYS 123.A N ALA 92.A O no hydrogen 2.806 N/A CYS 123.A SG PHE 121.A O no hydrogen 3.758 N/A LEU 124.A N LYS 132.A O no hydrogen 2.955 N/A LYS 125.A N GLN 90.A O no hydrogen 3.110 N/A LYS 125.A NZ ASP 14.A OD1 no hydrogen 3.033 N/A LYS 125.A NZ ASP 14.A OD2 no hydrogen 3.481 N/A ASP 126.A N ASP 130.A O no hydrogen 2.795 N/A ASN 128.A N ASP 126.A OD1 no hydrogen 2.888 N/A GLY 129.A N ASP 126.A O no hydrogen 2.869 N/A ASP 130.A N ASP 126.A OD1 no hydrogen 2.984 N/A TRP 131.A NE1 ASP 14.A OD1 no hydrogen 2.863 N/A LYS 132.A N LEU 124.A O no hydrogen 3.019 N/A LYS 132.A NZ GLU 39.A O no hydrogen 2.769 N/A ALA 133.A N MET 40.A O no hydrogen 2.841 N/A ARG 134.A N PHE 122.A O no hydrogen 2.802 N/A ARG 134.A NH1 ASN 46.A OD1 no hydrogen 2.974 N/A ARG 134.A NH1 ARG 134.A O no hydrogen 2.936 N/A TRP 135.A N PHE 122.A O no hydrogen 3.463 N/A TYR 136.A N ASN 46.A O no hydrogen 3.025 N/A LYS 137.A N ILE 120.A O no hydrogen 3.210 N/A LYS 137.A NZ LEU 219.A O no hydrogen 2.706 N/A PHE 139.A N TYR 118.A O no hydrogen 2.884 N/A TYR 140.A N PRO 194.A O no hydrogen 2.963 N/A VAL 141.A N ASP 116.A O no hydrogen 2.913 N/A LYS 142.A N ASP 116.A O no hydrogen 3.259 N/A LYS 144.A N ASP 114.A O no hydrogen 3.074 N/A VAL 146.A N ASP 112.A O no hydrogen 2.831 N/A THR 152.A N VAL 150.A O no hydrogen 2.883 N/A MET 156.A N THR 152.A O no hydrogen 3.155 N/A GLU 157.A N ALA 153.A O no hydrogen 3.069 N/A GLU 157.A N GLU 154.A O no hydrogen 3.229 N/A LYS 158.A N GLU 154.A O no hydrogen 3.466 N/A LYS 158.A NZ GLU 154.A O no hydrogen 3.234 N/A LEU 159.A N ASN 155.A O no hydrogen 3.330 N/A ALA 160.A N MET 156.A O no hydrogen 2.998 N/A LYS 161.A N LYS 158.A O no hydrogen 3.147 N/A LYS 161.A NZ.B GLU 107.A OE1 no hydrogen 3.465 N/A LEU 162.A N LEU 159.A O no hydrogen 2.998 N/A PHE 163.A N LEU 159.A O no hydrogen 3.295 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.890 N/A ASN 167.A N SER 164.A OG no hydrogen 3.129 N/A ASN 167.A ND2 LEU 162.A O no hydrogen 3.052 N/A LEU 168.A N SER 164.A O no hydrogen 3.031 N/A GLU 169.A N LYS 165.A O no hydrogen 3.009 N/A GLN 170.A N ASN 167.A O no hydrogen 3.152 N/A GLN 170.A NE2 GLU 166.A O no hydrogen 2.922 N/A TYR 171.A N LEU 168.A O no hydrogen 3.196 N/A TYR 175.A N PRO 172.A O no hydrogen 3.147 N/A TYR 175.A OH ASP 190.A O no hydrogen 2.701 N/A GLN 176.A NE2 TYR 171.A O no hydrogen 2.913 N/A TYR 177.A N ASP 143.A OD1 no hydrogen 3.500 N/A LEU 178.A N ASP 143.A OD2 no hydrogen 2.898 N/A ALA 179.A N TYR 175.A O no hydrogen 2.889 N/A VAL 180.A N GLN 176.A O no hydrogen 2.978 N/A ALA 181.A N TYR 177.A O no hydrogen 3.072 N/A GLN 182.A N LEU 178.A O no hydrogen 2.866 N/A GLN 182.A NE2 GLN 102.A OE1 no hydrogen 2.885 N/A ALA 183.A N ALA 179.A O no hydrogen 2.828 N/A ASN 184.A N VAL 180.A O no hydrogen 2.975 N/A LEU 185.A N ALA 181.A O no hydrogen 3.298 N/A LEU 185.A N GLN 182.A O no hydrogen 3.031 N/A GLY 186.A N ALA 183.A O no hydrogen 2.928 N/A TYR 187.A N GLN 182.A O no hydrogen 3.132 N/A ASP 190.A N THR 50.A O no hydrogen 2.911 N/A LYS 192.A N ASP 190.A OD1 no hydrogen 2.915 N/A THR 195.A N ASN 198.A OD1 no hydrogen 3.161 N/A LYS 197.A N THR 195.A OG1 no hydrogen 2.958 N/A ASN 198.A N THR 195.A OG1 no hydrogen 3.077 N/A ASN 198.A ND2 LEU 193.A O no hydrogen 2.988 N/A GLU 199.A N GLU 199.A OE2 no hydrogen 2.738 N/A HIS 202.A N GLU 199.A O no hydrogen 3.103 N/A MET 204.A N LEU 200.A O no hydrogen 2.958 N/A TYR 205.A N TYR 201.A O no hydrogen 3.206 N/A ASP 206.A N HIS 202.A O no hydrogen 3.011 N/A ALA 207.A N THR 203.A O no hydrogen 3.123 N/A MET 208.A N MET 204.A O no hydrogen 2.981 N/A LYS 209.A N TYR 205.A O no hydrogen 3.107 N/A GLU 210.A N ASP 206.A O no hydrogen 3.073 N/A TRP 211.A N ALA 207.A O no hydrogen 2.962 N/A TRP 211.A NE1 CYS 123.A O no hydrogen 2.869 N/A MET 212.A N MET 208.A O no hydrogen 3.098 N/A GLU 213.A N LYS 209.A O no hydrogen 3.150 N/A GLY 214.A N TRP 211.A O no hydrogen 2.991 N/A LYS 215.A N GLU 210.A O no hydrogen 3.131 N/A LYS 215.A NZ GLU 213.A OE1 no hydrogen 2.885 N/A HIS 220.A N ASP 218.A OD1 no hydrogen 3.003 N/A HIS 220.A ND1 ASP 218.A OD1 no hydrogen 2.716 N/A