Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ.B ASP 68.A O no hydrogen 3.214 N/A LYS 3.A NZ.B ASP 68.A OD1.B no hydrogen 2.774 N/A LYS 3.A NZ.B ASP 68.A OD2.A no hydrogen 2.769 N/A LYS 3.A NZ.C ASP 68.A O no hydrogen 2.985 N/A LYS 3.A NZ.C ASP 68.A OD1.B no hydrogen 3.024 N/A LYS 3.A NZ.C ASP 68.A OD2.A no hydrogen 3.059 N/A GLN 4.A NE2 THR 8.A OG1 no hydrogen 2.989 N/A ASP 5.A N GLY 1.A O no hydrogen 2.933 N/A ILE 6.A N PHE 2.A O no hydrogen 3.060 N/A ALA 7.A N LYS 3.A O no hydrogen 3.267 N/A THR 8.A N GLN 4.A O no hydrogen 2.796 N/A THR 8.A OG1 GLN 4.A O no hydrogen 3.261 N/A ILE 9.A N ASP 5.A O no hydrogen 2.907 N/A ARG 10.A N ILE 6.A O no hydrogen 2.832 N/A ARG 10.A NH1.A ASP 68.A OD1.A no hydrogen 3.001 N/A ARG 10.A NH1.B ASN 61.A OD1 no hydrogen 2.916 N/A ARG 10.A NH1.C ASN 61.A OD1 no hydrogen 2.788 N/A ARG 10.A NH1.D ASP 68.A OD1.A no hydrogen 2.975 N/A ARG 10.A NH2.B ASN 61.A OD1 no hydrogen 2.764 N/A ARG 10.A NH2.C ASN 61.A OD1 no hydrogen 2.718 N/A GLY 11.A N ALA 7.A O no hydrogen 2.891 N/A ASP 12.A N ILE 9.A O no hydrogen 3.169 N/A ARG 14.A NE.A GLU 57.A OE1.B no hydrogen 2.870 N/A ARG 14.A NE.A GLU 57.A OE2.A no hydrogen 2.888 N/A ARG 14.A NE.B GLU 57.A OE1.B no hydrogen 3.024 N/A ARG 14.A NE.B GLU 57.A OE2.A no hydrogen 2.891 N/A ARG 14.A NH1.A ASP 54.A OD2.A no hydrogen 3.242 N/A ARG 14.A NH1.A GLU 57.A OE1.B no hydrogen 3.557 N/A ARG 14.A NH1.A GLU 57.A OE2.A no hydrogen 2.859 N/A ARG 14.A NH1.B ASP 54.A OD2.A no hydrogen 2.850 N/A ARG 14.A NH1.B GLU 57.A OE2.A no hydrogen 2.974 N/A ARG 14.A NH2.B ASP 54.A OD2.A no hydrogen 3.247 N/A THR 15.A OG1 ASP 12.A OD1.A no hydrogen 3.177 N/A THR 15.A OG1 ASP 12.A OD1.B no hydrogen 2.670 N/A THR 15.A OG1 ASP 12.A OD2.A no hydrogen 3.079 N/A THR 15.A OG1 ASP 12.A OD2.B no hydrogen 3.307 N/A TYR 16.A N ASP 12.A O no hydrogen 3.062 N/A ALA 17.A N LEU 13.A O no hydrogen 2.798 N/A GLN 18.A N ARG 14.A O no hydrogen 2.987 N/A ASP 19.A N THR 15.A O no hydrogen 2.947 N/A ILE 20.A N TYR 16.A O no hydrogen 2.868 N/A PHE 21.A N ALA 17.A O no hydrogen 2.931 N/A LEU 22.A N GLN 18.A O no hydrogen 2.904 N/A ALA 23.A N ASP 19.A O no hydrogen 2.923 N/A PHE 24.A N ILE 20.A O no hydrogen 2.844 N/A LEU 25.A N PHE 21.A O no hydrogen 2.952 N/A ASN 26.A N LEU 22.A O no hydrogen 2.822 N/A LYS 27.A N ALA 23.A O no hydrogen 2.956 N/A LYS 27.A NZ GLU 106.A OE1.B no hydrogen 3.123 N/A LYS 27.A NZ GLU 106.A OE2.A no hydrogen 3.051 N/A LYS 27.A NZ GLU 106.A OE2.B no hydrogen 2.697 N/A TYR 28.A N PHE 24.A O no hydrogen 2.926 N/A GLU 31.A N TYR 28.A O no hydrogen 2.890 N/A ARG 32.A N PRO 29.A O no hydrogen 3.171 N/A ARG 32.A NH1 TYR 38.A O no hydrogen 3.002 N/A ARG 32.A NH1 LYS 41.A O no hydrogen 3.535 N/A ARG 33.A N ASP 30.A O no hydrogen 3.268 N/A ARG 33.A NH1.A ASP 30.A O no hydrogen 2.673 N/A ARG 33.A NH1.A GLU 31.A OE1.A no hydrogen 3.397 N/A TYR 34.A N GLU 31.A O no hydrogen 3.293 N/A PHE 35.A N ARG 32.A O no hydrogen 2.791 N/A TYR 38.A N PHE 35.A O no hydrogen 2.910 N/A LYS 41.A NZ.B ASN 37.A O no hydrogen 2.742 N/A SER 42.A N GLU 45.A OE1.A no hydrogen 2.886 N/A SER 42.A OG GLU 45.A OE1.A no hydrogen 3.486 N/A GLU 45.A N SER 42.A OG no hydrogen 3.047 N/A LEU 46.A N SER 42.A O no hydrogen 2.926 N/A LYS 47.A N ASP 43.A O no hydrogen 3.023 N/A SER 48.A N GLU 45.A O no hydrogen 3.019 N/A SER 48.A OG GLU 45.A O no hydrogen 2.633 N/A SER 48.A OG GLU 45.A OE1.B no hydrogen 2.988 N/A MET 49.A N LEU 46.A O no hydrogen 2.966 N/A PHE 52.A N MET 49.A O no hydrogen 3.015 N/A ASP 54.A N ALA 50.A O no hydrogen 3.074 N/A HIS 55.A N.A LYS 51.A O no hydrogen 2.806 N/A HIS 55.A N.B LYS 51.A O no hydrogen 2.765 N/A THR 56.A N PHE 52.A O no hydrogen 3.147 N/A THR 56.A OG1.A PHE 52.A O no hydrogen 2.504 N/A THR 56.A OG1.A GLY 53.A O no hydrogen 3.159 N/A THR 56.A OG1.B PHE 52.A O no hydrogen 2.636 N/A THR 56.A OG1.D PHE 52.A O no hydrogen 2.673 N/A GLU 57.A N GLY 53.A O no hydrogen 2.949 N/A LYS 58.A N ASP 54.A O no hydrogen 3.006 N/A LYS 58.A NZ ASP 54.A OD1.B no hydrogen 3.223 N/A LYS 58.A NZ ASP 54.A OD2.B no hydrogen 2.806 N/A TRP 59.A N.A HIS 55.A O.A no hydrogen 2.855 N/A TRP 59.A N.A HIS 55.A O.B no hydrogen 2.982 N/A TRP 59.A N.B HIS 55.A O.A no hydrogen 2.811 N/A TRP 59.A N.B HIS 55.A O.B no hydrogen 2.938 N/A TRP 59.A N.C HIS 55.A O.A no hydrogen 2.816 N/A TRP 59.A N.C HIS 55.A O.B no hydrogen 2.942 N/A PHE 60.A N THR 56.A O no hydrogen 3.082 N/A ASN 61.A N GLU 57.A O no hydrogen 2.711 N/A LEU 62.A N LYS 58.A O no hydrogen 3.053 N/A MET 63.A N TRP 59.A O.A no hydrogen 2.873 N/A MET 63.A N TRP 59.A O.B no hydrogen 3.037 N/A MET 63.A N TRP 59.A O.C no hydrogen 2.999 N/A MET 64.A N PHE 60.A O no hydrogen 2.876 N/A GLU 65.A N ASN 61.A O no hydrogen 2.924 N/A VAL 66.A N LEU 62.A O no hydrogen 2.899 N/A ALA 67.A N MET 63.A O no hydrogen 2.843 N/A ASP 68.A N MET 64.A O no hydrogen 2.856 N/A ARG 69.A N GLU 65.A O no hydrogen 3.050 N/A ARG 69.A NE.A ASP 79.A OD1 no hydrogen 2.978 N/A ARG 69.A NE.B ASP 79.A OD1 no hydrogen 2.895 N/A ARG 69.A NE.B ASP 79.A OD2 no hydrogen 3.321 N/A ARG 69.A NH1.B ASP 79.A OD2 no hydrogen 3.043 N/A ARG 69.A NH2.A ASP 79.A OD1 no hydrogen 3.332 N/A ARG 69.A NH2.A ASP 79.A OD2 no hydrogen 2.708 N/A ALA 70.A N VAL 66.A O no hydrogen 3.131 N/A ALA 70.A N ALA 67.A O no hydrogen 3.269 N/A THR 71.A N VAL 74.A O no hydrogen 3.082 N/A CYS 73.A SG SER 119.A O no hydrogen 3.660 N/A VAL 74.A N THR 71.A O no hydrogen 2.797 N/A ALA 80.A N LEU 76.A O no hydrogen 3.124 N/A ASN 81.A N ALA 77.A O no hydrogen 2.864 N/A THR 82.A N SER 78.A O no hydrogen 2.985 N/A THR 82.A OG1 SER 78.A O no hydrogen 3.142 N/A LEU 83.A N ASP 79.A O no hydrogen 3.205 N/A VAL 84.A N ALA 80.A O no hydrogen 2.986 N/A GLN 85.A N ASN 81.A O no hydrogen 2.930 N/A GLN 85.A NE2.A ASN 81.A OD1.A no hydrogen 3.375 N/A GLN 85.A NE2.A ASN 81.A OD1.B no hydrogen 2.859 N/A GLN 85.A NE2.B ASN 81.A OD1.B no hydrogen 3.204 N/A MET 86.A N THR 82.A O no hydrogen 3.159 N/A GLN 88.A N GLN 88.A OE1.A no hydrogen 2.774 N/A HIS 89.A N MET 86.A O no hydrogen 2.822 N/A HIS 89.A ND1 LEU 83.A O no hydrogen 2.829 N/A SER 90.A N LYS 87.A O no hydrogen 3.136 N/A SER 90.A OG.A LYS 87.A O no hydrogen 3.148 N/A SER 90.A OG.B LYS 87.A O no hydrogen 3.127 N/A LEU 92.A N HIS 89.A O no hydrogen 3.070 N/A THR 93.A N ASN 96.A OD1.A no hydrogen 2.981 N/A THR 94.A N LYS 137.A OXT.A no hydrogen 2.858 N/A THR 94.A N LYS 137.A OXT.B no hydrogen 3.077 N/A ASN 96.A N THR 93.A O no hydrogen 2.994 N/A ASN 96.A ND2.A GLU 31.A OE2.A no hydrogen 2.871 N/A ASN 96.A ND2.A GLU 31.A OE2.B no hydrogen 3.065 N/A ASN 96.A ND2.A TYR 34.A OH.B no hydrogen 3.392 N/A ASN 96.A ND2.B THR 93.A O no hydrogen 3.193 N/A GLU 98.A N THR 94.A O no hydrogen 2.903 N/A LYS 99.A N GLY 95.A O no hydrogen 3.016 N/A LEU 100.A N ASN 96.A O no hydrogen 3.122 N/A PHE 101.A N PHE 97.A O no hydrogen 2.998 N/A VAL 102.A N GLU 98.A O no hydrogen 2.935 N/A ALA 103.A N LYS 99.A O no hydrogen 3.004 N/A LEU 104.A N LEU 100.A O no hydrogen 2.906 N/A VAL 105.A N PHE 101.A O no hydrogen 2.928 N/A GLU 106.A N VAL 102.A O no hydrogen 2.961 N/A TYR 107.A N ALA 103.A O no hydrogen 2.852 N/A TYR 107.A OH ASP 19.A OD2.A no hydrogen 3.305 N/A MET 108.A N LEU 104.A O no hydrogen 2.956 N/A ARG 109.A N VAL 105.A O no hydrogen 2.943 N/A ARG 109.A NE.B SER 117.A OG.A no hydrogen 2.766 N/A ARG 109.A NE.C SER 117.A OG.A no hydrogen 2.694 N/A ARG 109.A NH1.B SER 117.A OG.A no hydrogen 3.382 N/A ARG 109.A NH2.B SER 117.A OG.A no hydrogen 3.073 N/A ALA 110.A N GLU 106.A O no hydrogen 3.039 N/A SER 111.A N TYR 107.A O no hydrogen 3.034 N/A SER 111.A N MET 108.A O no hydrogen 3.351 N/A SER 111.A OG.A MET 108.A O no hydrogen 2.932 N/A SER 111.A OG.A GLN 113.A O.A no hydrogen 2.653 N/A SER 111.A OG.A GLN 113.A O.B no hydrogen 3.499 N/A SER 111.A OG.B GLN 113.A O.A no hydrogen 3.548 N/A GLN 113.A N.A SER 111.A OG.B no hydrogen 2.820 N/A GLN 113.A N.B SER 111.A OG.A no hydrogen 3.362 N/A GLN 113.A N.B SER 111.A OG.B no hydrogen 3.365 N/A GLN 113.A NE2.B TYR 16.A OH no hydrogen 2.709 N/A SER 114.A N.A GLN 113.A OE1.A no hydrogen 3.147 N/A SER 114.A OG.A GLN 113.A OE1.A no hydrogen 3.553 N/A PHE 115.A N GLN 113.A O.B no hydrogen 3.167 N/A ASP 116.A N ASP 5.A OD1 no hydrogen 2.753 N/A SER 119.A N ASP 116.A O no hydrogen 3.029 N/A SER 119.A OG ASP 116.A OD2.A no hydrogen 2.820 N/A SER 119.A OG ASP 116.A OD2.B no hydrogen 3.132 N/A TRP 120.A N ASP 116.A O no hydrogen 3.279 N/A TRP 120.A NE1 ASP 5.A OD1 no hydrogen 2.840 N/A ASP 121.A N SER 117.A O no hydrogen 3.000 N/A ARG 122.A N GLN 118.A O no hydrogen 3.038 N/A ARG 122.A NH1.C ASP 72.A O no hydrogen 2.850 N/A ARG 122.A NH2.B ASP 72.A O no hydrogen 2.632 N/A PHE 123.A N SER 119.A O no hydrogen 2.811 N/A GLY 124.A N TRP 120.A O no hydrogen 2.920 N/A LYS 125.A N ASP 121.A O no hydrogen 2.957 N/A ASN 126.A N ARG 122.A O no hydrogen 2.866 N/A ASN 126.A ND2 CYS 73.A O no hydrogen 3.039 N/A LEU 127.A N PHE 123.A O no hydrogen 2.774 N/A VAL 128.A N GLY 124.A O no hydrogen 2.880 N/A SER 129.A N LYS 125.A O no hydrogen 3.066 N/A SER 129.A OG.A LYS 125.A O no hydrogen 3.109 N/A ALA 130.A N ASN 126.A O no hydrogen 3.015 N/A LEU 131.A N LEU 127.A O no hydrogen 2.755 N/A SER 132.A N VAL 128.A O no hydrogen 2.969 N/A SER 132.A OG.B VAL 128.A O no hydrogen 3.388 N/A SER 133.A N.A SER 129.A O no hydrogen 3.014 N/A SER 133.A N.B SER 129.A O no hydrogen 3.014 N/A SER 133.A OG.A SER 129.A O no hydrogen 3.120 N/A ALA 134.A N ALA 130.A O no hydrogen 3.025 N/A GLY 135.A N.A SER 132.A O no hydrogen 3.018 N/A GLY 135.A N.B SER 132.A O no hydrogen 3.029 N/A MET 136.A N.A LEU 131.A O no hydrogen 2.948 N/A MET 136.A N.B LEU 131.A O no hydrogen 3.266 N/A