Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6hju_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N SER 2.A OG no hydrogen 3.114 N/A ARG 5.A N SER 2.A O no hydrogen 3.357 N/A ARG 5.A NE TYR 8.A O no hydrogen 2.836 N/A ARG 5.A NH1 GLU 13.A OE1 no hydrogen 3.065 N/A ARG 5.A NH2 TYR 8.A O no hydrogen 2.923 N/A ARG 5.A NH2 GLU 13.A OE1 no hydrogen 2.853 N/A ASN 7.A ND2 ALA 121.A O no hydrogen 2.887 N/A TYR 8.A OH GLN 69.A OE1 no hydrogen 2.553 N/A THR 10.A OG1 GLU 11.A OE1 no hydrogen 3.325 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.875 N/A VAL 12.A N SER 9.A OG no hydrogen 3.115 N/A GLU 13.A N SER 9.A O no hydrogen 2.976 N/A ALA 14.A N THR 10.A O no hydrogen 3.009 N/A ALA 15.A N GLU 11.A O no hydrogen 3.007 N/A VAL 16.A N VAL 12.A O no hydrogen 2.835 N/A ASN 17.A N GLU 13.A O no hydrogen 3.102 N/A ASN 17.A ND2 ARG 75.A O.A no hydrogen 3.049 N/A ASN 17.A ND2 ARG 75.A O.B no hydrogen 3.052 N/A ARG 18.A N ALA 14.A O no hydrogen 2.987 N/A LEU 19.A N ALA 15.A O no hydrogen 2.914 N/A VAL 20.A N VAL 16.A O no hydrogen 2.931 N/A ASN 21.A N ASN 17.A O no hydrogen 3.175 N/A ASN 21.A ND2 ASP 80.A O no hydrogen 3.044 N/A LEU 22.A N ARG 18.A O no hydrogen 2.950 N/A TYR 23.A N LEU 19.A O no hydrogen 2.914 N/A LEU 24.A N VAL 20.A O no hydrogen 2.930 N/A ARG 25.A N.A ASN 21.A O no hydrogen 2.834 N/A ARG 25.A N.B ASN 21.A O no hydrogen 2.838 N/A ALA 26.A N LEU 22.A O no hydrogen 2.916 N/A SER 27.A N.A TYR 23.A O no hydrogen 2.890 N/A SER 27.A N.B TYR 23.A O no hydrogen 2.893 N/A SER 27.A OG.A ALA 55.A O no hydrogen 2.768 N/A SER 27.A OG.B LEU 24.A O no hydrogen 2.590 N/A TYR 28.A N LEU 24.A O no hydrogen 2.957 N/A THR 29.A N ARG 25.A O.A no hydrogen 2.925 N/A THR 29.A N ARG 25.A O.B no hydrogen 2.924 N/A THR 29.A OG1 ARG 25.A O.A no hydrogen 3.105 N/A THR 29.A OG1 ARG 25.A O.B no hydrogen 3.166 N/A TYR 30.A N ALA 26.A O no hydrogen 2.953 N/A TYR 30.A OH GLU 103.A OE2 no hydrogen 2.456 N/A LEU 31.A N SER 27.A O.A no hydrogen 2.975 N/A LEU 31.A N SER 27.A O.B no hydrogen 2.923 N/A SER 32.A N TYR 28.A O no hydrogen 3.087 N/A LEU 33.A N THR 29.A O no hydrogen 2.855 N/A GLY 34.A N TYR 30.A O no hydrogen 2.871 N/A PHE 35.A N LEU 31.A O no hydrogen 3.026 N/A TYR 36.A N SER 32.A O no hydrogen 2.938 N/A TYR 36.A OH GLY 90.A O no hydrogen 2.674 N/A PHE 37.A N LEU 33.A O no hydrogen 3.244 N/A ASP 38.A N GLY 34.A O no hydrogen 3.306 N/A ASP 38.A N PHE 35.A O no hydrogen 3.209 N/A ARG 39.A N TYR 36.A O no hydrogen 3.138 N/A ARG 39.A NE ASP 41.A OD1 no hydrogen 2.816 N/A ARG 39.A NH1 GLU 88.A OE2 no hydrogen 2.843 N/A ARG 39.A NH2 ASP 41.A OD1 no hydrogen 3.304 N/A ARG 39.A NH2 ASP 41.A OD2 no hydrogen 2.760 N/A ARG 39.A NH2 GLU 88.A OE2 no hydrogen 3.535 N/A VAL 42.A N ARG 39.A O no hydrogen 2.964 N/A LEU 44.A N PHE 37.A O no hydrogen 2.891 N/A GLY 46.A N GLU 167.A OE2 no hydrogen 2.832 N/A CYS 48.A N LEU 44.A O no hydrogen 3.044 N/A CYS 48.A SG GLY 34.A O no hydrogen 3.063 N/A HIS 49.A N GLU 45.A O.A no hydrogen 2.838 N/A HIS 49.A N GLU 45.A O.B no hydrogen 2.849 N/A PHE 50.A N GLY 46.A O no hydrogen 3.059 N/A PHE 51.A N VAL 47.A O no hydrogen 3.068 N/A ARG 52.A N CYS 48.A O no hydrogen 2.876 N/A GLU 53.A N.A HIS 49.A O no hydrogen 2.978 N/A GLU 53.A N.B HIS 49.A O no hydrogen 2.989 N/A LEU 54.A N PHE 50.A O no hydrogen 3.141 N/A ALA 55.A N PHE 51.A O no hydrogen 2.881 N/A GLU 56.A N ARG 52.A O no hydrogen 3.131 N/A GLU 57.A N GLU 53.A O.A no hydrogen 2.975 N/A GLU 57.A N GLU 53.A O.B no hydrogen 2.977 N/A LYS 58.A N LEU 54.A O no hydrogen 2.970 N/A LYS 58.A NZ GLU 103.A OE1 no hydrogen 2.741 N/A LYS 58.A NZ GLU 103.A OE2 no hydrogen 3.356 N/A ARG 59.A N ALA 55.A O no hydrogen 3.070 N/A ARG 59.A NH1.B GLU 63.A OE2 no hydrogen 2.856 N/A GLU 60.A N GLU 56.A O no hydrogen 2.956 N/A GLY 61.A N GLU 57.A O no hydrogen 2.949 N/A ALA 62.A N LYS 58.A O no hydrogen 2.993 N/A GLU 63.A N ARG 59.A O no hydrogen 3.012 N/A ARG 64.A N.A GLU 60.A O no hydrogen 2.863 N/A ARG 64.A N.B GLU 60.A O no hydrogen 2.864 N/A LEU 65.A N GLY 61.A O no hydrogen 3.020 N/A LEU 66.A N ALA 62.A O no hydrogen 2.948 N/A LYS 67.A N GLU 63.A O no hydrogen 2.911 N/A MET 68.A N ARG 64.A O.A no hydrogen 3.010 N/A MET 68.A N ARG 64.A O.B no hydrogen 3.022 N/A GLN 69.A N LEU 65.A O no hydrogen 2.851 N/A GLN 69.A NE2 GLU 13.A O no hydrogen 3.030 N/A GLN 69.A NE2 ASN 17.A OD1 no hydrogen 3.009 N/A ASN 70.A N LEU 66.A O no hydrogen 3.068 N/A GLN 71.A N LYS 67.A O no hydrogen 2.875 N/A ARG 72.A N MET 68.A O no hydrogen 2.935 N/A ARG 72.A NH1 ASP 122.A OD1 no hydrogen 2.853 N/A ARG 72.A NH1 ASP 122.A OD2 no hydrogen 3.405 N/A ARG 72.A NH2 GLN 6.A O no hydrogen 3.011 N/A ARG 72.A NH2 ASN 7.A O no hydrogen 2.977 N/A ARG 72.A NH2 ASP 122.A OD1 no hydrogen 3.433 N/A GLY 73.A N ASN 70.A O no hydrogen 3.045 N/A GLY 74.A N GLN 69.A O no hydrogen 2.919 N/A ARG 75.A N.A GLU 13.A OE2 no hydrogen 2.823 N/A ARG 75.A N.B GLU 13.A OE2 no hydrogen 2.806 N/A ARG 75.A NE.B GLY 74.A O no hydrogen 2.781 N/A ARG 75.A NH1.A GLY 74.A O no hydrogen 2.791 N/A ARG 75.A NH1.B GLY 74.A O no hydrogen 2.940 N/A GLN 79.A NE2.B LEU 77.A O no hydrogen 2.720 N/A GLN 86.A NE2.A GLU 88.A O no hydrogen 3.046 N/A TRP 89.A NE1 SER 32.A OG no hydrogen 3.001 N/A THR 91.A N ASP 94.A OD2 no hydrogen 3.023 N/A THR 92.A N GLU 163.A OE1.B no hydrogen 2.895 N/A THR 92.A N GLU 163.A OE2.A no hydrogen 2.725 N/A THR 92.A OG1 GLU 163.A OE1.B no hydrogen 2.700 N/A THR 92.A OG1 GLU 163.A OE2.A no hydrogen 2.650 N/A ASP 94.A N THR 91.A OG1 no hydrogen 3.124 N/A ALA 95.A N THR 91.A O no hydrogen 2.932 N/A MET 96.A N THR 92.A O no hydrogen 2.896 N/A LYS 97.A N LEU 93.A O no hydrogen 2.998 N/A ALA 98.A N ASP 94.A O no hydrogen 2.989 N/A ALA 99.A N ALA 95.A O no hydrogen 2.898 N/A ILE 100.A N.A MET 96.A O no hydrogen 2.999 N/A ILE 100.A N.B MET 96.A O no hydrogen 2.996 N/A VAL 101.A N LYS 97.A O no hydrogen 3.084 N/A LEU 102.A N ALA 98.A O no hydrogen 3.019 N/A GLU 103.A N ALA 99.A O no hydrogen 2.892 N/A LYS 104.A N ILE 100.A O.A no hydrogen 2.911 N/A LYS 104.A N ILE 100.A O.B no hydrogen 2.843 N/A SER 105.A N.A VAL 101.A O no hydrogen 2.969 N/A SER 105.A N.A LEU 102.A O no hydrogen 3.093 N/A SER 105.A N.B VAL 101.A O no hydrogen 2.968 N/A SER 105.A OG.A VAL 101.A O no hydrogen 3.129 N/A SER 105.A OG.B LEU 102.A O no hydrogen 2.606 N/A LEU 106.A N LEU 102.A O no hydrogen 3.029 N/A ASN 107.A N GLU 103.A O no hydrogen 2.818 N/A GLN 108.A N LYS 104.A O no hydrogen 2.839 N/A GLN 108.A NE2 ASP 112.A OD1 no hydrogen 2.893 N/A ALA 109.A N SER 105.A O.A no hydrogen 2.983 N/A ALA 109.A N SER 105.A O.B no hydrogen 3.023 N/A LEU 110.A N LEU 106.A O no hydrogen 2.861 N/A LEU 111.A N ASN 107.A O no hydrogen 2.924 N/A ASP 112.A N GLN 108.A O no hydrogen 2.820 N/A LEU 113.A N ALA 109.A O no hydrogen 2.989 N/A HIS 114.A N.A LEU 110.A O no hydrogen 2.865 N/A HIS 114.A N.B LEU 110.A O no hydrogen 2.878 N/A HIS 114.A NE2.A GLU 130.A OE2 no hydrogen 2.754 N/A ALA 115.A N LEU 111.A O no hydrogen 2.978 N/A LEU 116.A N ASP 112.A O no hydrogen 2.976 N/A GLY 117.A N LEU 113.A O no hydrogen 2.858 N/A SER 118.A N HIS 114.A O.A no hydrogen 2.956 N/A SER 118.A N HIS 114.A O.B no hydrogen 2.848 N/A ALA 119.A N ALA 115.A O no hydrogen 2.898 N/A GLN 120.A N LEU 116.A O no hydrogen 2.865 N/A ALA 121.A N SER 118.A O no hydrogen 3.073 N/A ASP 122.A N GLY 117.A O no hydrogen 2.894 N/A LEU 125.A N ASP 122.A OD1 no hydrogen 3.281 N/A CYS 126.A N ASP 122.A O no hydrogen 3.174 N/A CYS 126.A SG HIS 114.A NE2.B no hydrogen 3.253 N/A CYS 126.A SG HIS 114.A O.A no hydrogen 3.648 N/A CYS 126.A SG HIS 114.A O.B no hydrogen 3.691 N/A CYS 126.A SG ASP 122.A O no hydrogen 3.755 N/A ASP 127.A N PRO 123.A O no hydrogen 2.926 N/A PHE 128.A N HIS 124.A O no hydrogen 2.879 N/A LEU 129.A N LEU 125.A O no hydrogen 3.029 N/A GLU 130.A N CYS 126.A O no hydrogen 2.999 N/A SER 131.A N ASP 127.A O no hydrogen 2.816 N/A SER 131.A OG ASP 127.A O no hydrogen 2.972 N/A SER 131.A OG ASP 127.A OD1 no hydrogen 3.061 N/A HIS 132.A N PHE 128.A O no hydrogen 3.046 N/A PHE 133.A N LEU 129.A O no hydrogen 2.928 N/A LEU 134.A N LEU 129.A O no hydrogen 2.914 N/A GLU 136.A N.A GLU 136.A OE1.A no hydrogen 2.785 N/A GLU 137.A N PHE 133.A O no hydrogen 2.990 N/A VAL 138.A N LEU 134.A O no hydrogen 3.043 N/A LYS 139.A N ASP 135.A O no hydrogen 2.998 N/A LEU 140.A N GLU 136.A O.A no hydrogen 2.931 N/A LEU 140.A N GLU 136.A O.B no hydrogen 2.884 N/A ILE 141.A N GLU 137.A O no hydrogen 2.869 N/A LYS 142.A N VAL 138.A O no hydrogen 3.003 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 2.819 N/A LYS 142.A NZ ASP 146.A OD2 no hydrogen 3.020 N/A LYS 143.A N.A LYS 139.A O no hydrogen 3.013 N/A LYS 143.A N.B LYS 139.A O no hydrogen 3.008 N/A MET 144.A N LEU 140.A O no hydrogen 2.856 N/A GLY 145.A N ILE 141.A O no hydrogen 2.853 N/A ASP 146.A N LYS 142.A O no hydrogen 2.899 N/A HIS 147.A N LYS 143.A O.A no hydrogen 2.939 N/A HIS 147.A N LYS 143.A O.B no hydrogen 2.881 N/A LEU 148.A N.A MET 144.A O no hydrogen 2.828 N/A LEU 148.A N.B MET 144.A O no hydrogen 2.823 N/A THR 149.A N GLY 145.A O no hydrogen 2.953 N/A THR 149.A OG1 GLY 145.A O no hydrogen 3.227 N/A ASN 150.A N ASP 146.A O no hydrogen 2.992 N/A ASN 150.A ND2 ASP 146.A O no hydrogen 2.937 N/A ILE 151.A N HIS 147.A O no hydrogen 2.789 N/A GLN 152.A N.A LEU 148.A O.A no hydrogen 2.826 N/A GLN 152.A N.A LEU 148.A O.B no hydrogen 2.916 N/A GLN 152.A N.B LEU 148.A O.A no hydrogen 2.842 N/A GLN 152.A N.B LEU 148.A O.B no hydrogen 2.931 N/A ARG 153.A N.A THR 149.A O no hydrogen 3.038 N/A ARG 153.A N.B THR 149.A O no hydrogen 3.027 N/A ARG 153.A NH1.A ASN 150.A OD1 no hydrogen 2.967 N/A ARG 153.A NH1.B ASN 150.A OD1 no hydrogen 2.897 N/A LEU 154.A N ASN 150.A O no hydrogen 3.064 N/A VAL 155.A N ILE 151.A O no hydrogen 2.910 N/A GLY 162.A N GLN 158.A O no hydrogen 2.952 N/A GLU 163.A N.A ALA 159.A O no hydrogen 3.001 N/A GLU 163.A N.B ALA 159.A O no hydrogen 2.999 N/A TYR 164.A N GLY 160.A O no hydrogen 3.070 N/A LEU 165.A N LEU 161.A O no hydrogen 2.910 N/A PHE 166.A N GLY 162.A O no hydrogen 2.963 N/A GLU 167.A N GLU 163.A O.A no hydrogen 3.121 N/A GLU 167.A N GLU 163.A O.B no hydrogen 3.115 N/A ARG 168.A N TYR 164.A O no hydrogen 2.946 N/A ARG 168.A NE GLU 167.A OE1 no hydrogen 2.835 N/A ARG 168.A NH1 GLU 167.A OE1 no hydrogen 3.452 N/A ARG 168.A NH1 GLU 167.A OE2 no hydrogen 2.843 N/A LEU 169.A N LEU 165.A O no hydrogen 2.832 N/A THR 170.A N PHE 166.A O no hydrogen 2.893 N/A LEU 171.A N PHE 166.A O no hydrogen 3.203 N/A