Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mj6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG PRO 2.A O.B no hydrogen 3.451 N/A SER 1.A OG PRO 104.A O no hydrogen 3.136 N/A LEU 4.A N GLU 106.A O no hydrogen 2.839 N/A VAL 6.A N TRP 108.A O no hydrogen 3.002 N/A HIS 7.A N GLU 10.A OE1 no hydrogen 2.749 N/A HIS 7.A ND1 PRO 111.A O no hydrogen 2.942 N/A VAL 8.A N LEU 110.A O no hydrogen 3.108 N/A GLY 9.A N VAL 80.A O no hydrogen 2.870 N/A GLU 10.A N HIS 7.A O no hydrogen 3.154 N/A SER 11.A OG SER 216.A OG no hydrogen 2.738 N/A VAL 12.A N LEU 77.A O no hydrogen 2.853 N/A LEU 13.A N GLN 132.A O no hydrogen 2.721 N/A MET 14.A N LEU 75.A O no hydrogen 2.784 N/A GLY 15.A N THR 134.A OG1 no hydrogen 2.888 N/A CYS 16.A N SER 74.A OG no hydrogen 3.042 N/A VAL 18.A N ASN 71.A O no hydrogen 2.887 N/A ARG 20.A NE GLU 97.A OE1 no hydrogen 3.287 N/A ARG 20.A NE GLU 97.A OE2 no hydrogen 2.799 N/A ARG 20.A NH1 GLN 19.A O no hydrogen 3.050 N/A ARG 20.A NH2 GLU 97.A OE1 no hydrogen 2.854 N/A LYS 24.A N ASN 71.A OD1 no hydrogen 3.109 N/A LYS 24.A NZ GLU 97.A OE2 no hydrogen 2.675 N/A VAL 26.A N THR 68.A O no hydrogen 2.925 N/A ASP 27.A N ARG 93.A O no hydrogen 2.889 N/A ARG 28.A N ARG 93.A O no hydrogen 3.122 N/A ARG 28.A NH2 ASP 30.A OD2 no hydrogen 3.038 N/A VAL 29.A N TYR 47.A O no hydrogen 3.128 N/A ASP 30.A N GLU 91.A O no hydrogen 2.879 N/A TRP 31.A N LEU 45.A O no hydrogen 2.815 N/A TRP 31.A NE1 GLY 73.A O no hydrogen 2.913 N/A LEU 32.A N THR 89.A O no hydrogen 3.040 N/A PHE 33.A N GLU 42.A O no hydrogen 2.736 N/A SER 34.A N ILE 87.A O no hydrogen 2.967 N/A GLU 42.A N PHE 33.A O no hydrogen 2.832 N/A VAL 44.A N TRP 31.A O no hydrogen 2.936 N/A LEU 45.A N TRP 31.A O no hydrogen 3.359 N/A PHE 46.A N VAL 53.A O no hydrogen 3.235 N/A TYR 47.A N VAL 29.A O no hydrogen 2.731 N/A TYR 48.A N LEU 51.A O no hydrogen 3.228 N/A LEU 51.A N TYR 48.A O no hydrogen 3.045 N/A VAL 53.A N PHE 46.A O no hydrogen 2.691 N/A THR 55.A N VAL 44.A O no hydrogen 2.946 N/A THR 55.A OG1 TYR 43.A O no hydrogen 2.726 N/A ARG 57.A NE GLU 42.A OE1 no hydrogen 3.218 N/A ARG 57.A NE GLU 42.A OE2 no hydrogen 3.323 N/A ARG 57.A NH1 ASP 84.A OD1 no hydrogen 2.798 N/A ARG 57.A NH2 GLU 42.A OE2 no hydrogen 3.406 N/A ARG 57.A NH2 ALA 83.A O no hydrogen 2.921 N/A PHE 58.A N THR 55.A O no hydrogen 3.044 N/A GLN 59.A N GLY 56.A O no hydrogen 3.069 N/A ARG 61.A N PHE 58.A O no hydrogen 3.070 N/A ARG 61.A NE ARG 57.A O no hydrogen 3.499 N/A ARG 61.A NH1 GLN 78.A O no hydrogen 3.212 N/A ARG 61.A NH1 ASP 84.A OD2 no hydrogen 2.499 N/A ARG 61.A NH2 ARG 57.A O no hydrogen 3.402 N/A ARG 61.A NH2 ASP 84.A OD1 no hydrogen 2.951 N/A SER 62.A OG VAL 44.A O no hydrogen 3.392 N/A SER 62.A OG PHE 58.A O no hydrogen 2.980 N/A HIS 63.A N LEU 76.A O no hydrogen 2.982 N/A HIS 63.A NE2 GLN 78.A OE1 no hydrogen 2.684 N/A VAL 65.A N SER 74.A O no hydrogen 2.823 N/A GLY 66.A N SER 74.A O no hydrogen 3.134 N/A ASP 67.A N ASP 72.A OD2 no hydrogen 3.123 N/A PHE 69.A N ASP 67.A OD1 no hydrogen 3.026 N/A HIS 70.A N ASP 67.A O no hydrogen 2.966 N/A HIS 70.A ND1 ASN 71.A OD1 no hydrogen 2.957 N/A ASN 71.A N LYS 24.A O no hydrogen 2.897 N/A ASN 71.A ND2 GLU 22.A O no hydrogen 3.433 N/A ASP 72.A N ASP 67.A O no hydrogen 3.267 N/A GLY 73.A N CYS 16.A O no hydrogen 2.831 N/A SER 74.A N ASP 72.A OD1 no hydrogen 3.021 N/A SER 74.A OG ASP 72.A OD1 no hydrogen 2.611 N/A LEU 75.A N MET 14.A O no hydrogen 2.965 N/A LEU 76.A N HIS 63.A O no hydrogen 2.837 N/A LEU 77.A N VAL 12.A O no hydrogen 2.904 N/A GLN 78.A N ARG 61.A O no hydrogen 2.822 N/A GLN 78.A NE2 GLU 215.A O no hydrogen 2.679 N/A VAL 80.A N GLU 10.A O no hydrogen 2.893 N/A GLN 81.A N ASP 84.A OD2 no hydrogen 2.861 N/A GLN 81.A NE2.A ASP 79.A O no hydrogen 3.584 N/A GLN 81.A NE2.B ASP 79.A O no hydrogen 3.391 N/A LYS 82.A NZ GLU 85.A OE1 no hydrogen 3.312 N/A LYS 82.A NZ GLU 85.A OE2 no hydrogen 3.417 N/A ASP 84.A N GLN 81.A O no hydrogen 2.877 N/A GLU 85.A N LYS 82.A O no hydrogen 3.132 N/A GLY 86.A N LEU 107.A O no hydrogen 3.037 N/A ILE 87.A N SER 34.A O no hydrogen 2.750 N/A TYR 88.A N VAL 105.A O no hydrogen 2.826 N/A TYR 88.A OH ASP 84.A O no hydrogen 2.624 N/A THR 89.A N LEU 32.A O no hydrogen 2.927 N/A CYS 90.A N LYS 103.A O no hydrogen 2.958 N/A GLU 91.A N ASP 30.A O no hydrogen 2.903 N/A ILE 92.A N MET 101.A O no hydrogen 2.911 N/A ARG 93.A N ARG 28.A O no hydrogen 2.921 N/A ARG 93.A NH1 ASP 27.A OD2 no hydrogen 3.266 N/A ARG 93.A NH1 GLU 97.A O no hydrogen 2.986 N/A ARG 93.A NH2 ASP 27.A OD2 no hydrogen 3.392 N/A LYS 95.A N HIS 25.A O no hydrogen 2.679 N/A GLU 97.A N LEU 94.A O no hydrogen 3.148 N/A MET 101.A N ILE 92.A O no hydrogen 2.996 N/A LYS 103.A N CYS 90.A O no hydrogen 2.827 N/A LYS 103.A NZ GLY 15.A O no hydrogen 2.880 N/A VAL 105.A N TYR 88.A O no hydrogen 2.650 N/A GLU 106.A N PRO 2.A O.A no hydrogen 2.985 N/A GLU 106.A N PRO 2.A O.B no hydrogen 2.996 N/A LEU 107.A N GLY 86.A O no hydrogen 2.823 N/A TRP 108.A N LEU 4.A O no hydrogen 2.824 N/A VAL 109.A N GLU 85.A OE1 no hydrogen 2.759 N/A LEU 110.A N VAL 6.A O no hydrogen 2.791 N/A LEU 117.A N VAL 221.A O no hydrogen 2.713 N/A VAL 119.A N HIS 223.A O no hydrogen 2.975 N/A VAL 121.A N VAL 225.A O no hydrogen 3.323 N/A GLY 122.A N VAL 197.A O no hydrogen 2.676 N/A ASP 123.A N ARG 120.A O no hydrogen 3.104 N/A THR 125.A N LEU 194.A O no hydrogen 2.897 N/A THR 125.A OG1 GLN 126.A O no hydrogen 3.329 N/A MET 127.A N ILE 192.A O no hydrogen 2.819 N/A ARG 128.A NH2 GLU 113.A OE1 no hydrogen 2.926 N/A CYS 129.A N SER 191.A OG no hydrogen 3.188 N/A ILE 131.A N ASN 188.A O no hydrogen 3.038 N/A GLN 132.A NE2 ARG 5.A O no hydrogen 2.699 N/A SER 133.A OG GLU 135.A O no hydrogen 2.887 N/A THR 134.A OG1 GLU 135.A OE2 no hydrogen 3.262 N/A GLU 135.A N SER 133.A OG no hydrogen 3.013 N/A LYS 137.A N SER 186.A O no hydrogen 2.836 N/A ARG 138.A N ASN 188.A OD1 no hydrogen 2.895 N/A ARG 138.A NH1 ASP 72.A OD2 no hydrogen 2.992 N/A ARG 138.A NH2 ASP 72.A OD2 no hydrogen 2.987 N/A VAL 139.A N ASN 188.A OD1 no hydrogen 3.047 N/A THR 140.A N TYR 210.A O no hydrogen 2.896 N/A THR 140.A OG1 TYR 210.A O no hydrogen 3.457 N/A THR 140.A OG1 GLY 212.A O no hydrogen 3.440 N/A VAL 142.A N TYR 160.A O no hydrogen 2.856 N/A ASN 143.A N SER 208.A O no hydrogen 2.935 N/A TRP 144.A N LEU 158.A O no hydrogen 2.711 N/A TRP 144.A NE1 GLY 190.A O no hydrogen 2.782 N/A MET 145.A N THR 206.A O no hydrogen 2.900 N/A PHE 146.A N GLU 155.A O no hydrogen 2.769 N/A SER 147.A N ILE 204.A O no hydrogen 2.972 N/A SER 147.A OG SER 148.A O no hydrogen 3.084 N/A SER 148.A OG SER 150.A OG no hydrogen 2.896 N/A SER 150.A N SER 148.A OG no hydrogen 3.310 N/A SER 150.A OG SER 148.A OG no hydrogen 2.896 N/A HIS 151.A N SER 148.A O no hydrogen 3.324 N/A HIS 151.A ND1 GLU 153.A O no hydrogen 2.900 N/A GLU 155.A N PHE 146.A O no hydrogen 2.821 N/A VAL 157.A N TRP 144.A O no hydrogen 2.883 N/A LEU 158.A N TRP 144.A O no hydrogen 3.440 N/A SER 159.A N PHE 169.A O no hydrogen 2.834 N/A TYR 160.A N VAL 142.A O no hydrogen 2.764 N/A ASP 161.A N GLY 167.A O no hydrogen 3.010 N/A SER 162.A N THR 140.A O no hydrogen 2.738 N/A SER 162.A OG THR 140.A O no hydrogen 2.773 N/A ASN 163.A N ASP 161.A OD1 no hydrogen 2.856 N/A MET 164.A N ASP 161.A O no hydrogen 3.339 N/A LYS 168.A N SER 166.A O no hydrogen 3.172 N/A LYS 168.A NZ ASP 180.A OD1 no hydrogen 2.564 N/A PHE 169.A N SER 159.A O no hydrogen 2.683 N/A GLN 170.A NE2 VAL 179.A O no hydrogen 2.830 N/A SER 171.A N VAL 157.A O no hydrogen 2.951 N/A GLY 173.A N SER 171.A OG no hydrogen 3.178 N/A ARG 174.A NE GLU 155.A OE2 no hydrogen 3.372 N/A PHE 175.A N SER 171.A OG no hydrogen 3.332 N/A ARG 176.A N GLY 173.A O no hydrogen 3.114 N/A ARG 178.A N PHE 175.A O no hydrogen 3.011 N/A ARG 178.A NH1 GLN 195.A O no hydrogen 3.289 N/A ARG 178.A NH1 ASP 201.A OD2 no hydrogen 2.696 N/A ARG 178.A NH2 ARG 174.A O no hydrogen 2.859 N/A ARG 178.A NH2 ASP 201.A OD1 no hydrogen 2.874 N/A ARG 178.A NH2 ASP 201.A OD2 no hydrogen 3.456 N/A ASP 180.A N LYS 193.A O no hydrogen 3.293 N/A LEU 181.A N ASP 180.A OD1 no hydrogen 2.759 N/A THR 182.A N SER 191.A O no hydrogen 2.666 N/A THR 182.A OG1 GLN 126.A OE1 no hydrogen 3.342 N/A GLY 183.A N SER 191.A O no hydrogen 2.993 N/A SER 186.A N ASP 184.A OD1 no hydrogen 3.109 N/A SER 186.A OG ASP 184.A OD1 no hydrogen 2.621 N/A SER 186.A OG ASP 184.A OD2 no hydrogen 3.405 N/A ARG 187.A N ASP 184.A O no hydrogen 2.915 N/A ASN 188.A N ILE 185.A O no hydrogen 2.956 N/A ASN 188.A ND2 GLU 135.A O no hydrogen 2.843 N/A ASP 189.A N ASP 184.A O no hydrogen 3.124 N/A GLY 190.A N CYS 129.A O no hydrogen 2.666 N/A SER 191.A N ASP 189.A OD1 no hydrogen 2.978 N/A SER 191.A OG ASP 189.A OD1 no hydrogen 2.721 N/A ILE 192.A N MET 127.A O no hydrogen 2.939 N/A LYS 193.A N ASP 180.A O no hydrogen 2.884 N/A LYS 193.A NZ GLN 195.A OE1 no hydrogen 3.520 N/A LEU 194.A N THR 125.A O no hydrogen 2.803 N/A GLN 195.A N ARG 178.A O no hydrogen 2.911 N/A VAL 197.A N ASP 123.A O no hydrogen 2.860 N/A LYS 198.A N ASP 201.A OD2 no hydrogen 2.968 N/A ASP 201.A N LYS 198.A O no hydrogen 3.025 N/A GLN 202.A N GLU 199.A O no hydrogen 3.116 N/A GLY 203.A N LEU 222.A O no hydrogen 3.239 N/A ILE 204.A N SER 147.A O no hydrogen 2.803 N/A TYR 205.A N ILE 220.A O no hydrogen 2.816 N/A TYR 205.A OH ASP 201.A O no hydrogen 2.701 N/A THR 206.A N MET 145.A O no hydrogen 2.890 N/A CYS 207.A N LYS 218.A O no hydrogen 2.950 N/A SER 208.A N ASN 143.A O no hydrogen 2.852 N/A SER 208.A OG GLU 215.A OE2 no hydrogen 2.650 N/A ILE 209.A N SER 216.A O no hydrogen 2.876 N/A TYR 210.A N LYS 141.A O no hydrogen 2.794 N/A VAL 211.A N LEU 214.A O no hydrogen 2.930 N/A LEU 214.A N VAL 211.A O no hydrogen 3.251 N/A SER 216.A N ILE 209.A O no hydrogen 2.905 N/A SER 216.A OG SER 11.A OG no hydrogen 2.738 N/A ARG 217.A NE GLU 215.A OE2 no hydrogen 2.741 N/A ARG 217.A NH2 GLU 215.A OE1 no hydrogen 2.985 N/A ARG 217.A NH2 GLU 215.A OE2 no hydrogen 3.302 N/A LYS 218.A N CYS 207.A O no hydrogen 2.864 N/A ILE 220.A N TYR 205.A O no hydrogen 2.774 N/A VAL 221.A N ARG 115.A O no hydrogen 2.872 N/A LEU 222.A N GLY 203.A O no hydrogen 2.827 N/A HIS 223.A N LEU 117.A O no hydrogen 2.875 N/A VAL 224.A N GLN 202.A OE1 no hydrogen 3.082 N/A VAL 225.A N VAL 119.A O no hydrogen 2.875 N/A GLN 226.A NE2 GLU 199.A OE2 no hydrogen 3.118 N/A