Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jac_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N SER 2.A OG no hydrogen 3.155 N/A ARG 5.A N SER 2.A O no hydrogen 3.060 N/A ARG 5.A NE TYR 8.A O no hydrogen 2.900 N/A ARG 5.A NH1 TYR 8.A O no hydrogen 2.821 N/A ARG 5.A NH1 GLU 13.A OE1 no hydrogen 2.815 N/A ARG 5.A NH2 GLU 13.A OE1 no hydrogen 2.893 N/A ASN 7.A ND2 VAL 121.A O no hydrogen 2.935 N/A TYR 8.A OH GLN 69.A OE1 no hydrogen 2.706 N/A ASP 11.A N HIS 9.A ND1 no hydrogen 2.917 N/A GLU 13.A N HIS 9.A O no hydrogen 3.027 N/A ALA 14.A N SER 10.A O no hydrogen 2.995 N/A ALA 15.A N ASP 11.A O no hydrogen 2.967 N/A VAL 16.A N CYS 12.A O no hydrogen 2.844 N/A ASN 17.A N GLU 13.A O no hydrogen 3.194 N/A ASN 17.A ND2 ARG 75.A O no hydrogen 3.055 N/A ARG 18.A N ALA 14.A O no hydrogen 3.012 N/A MET 19.A N.A ALA 15.A O no hydrogen 2.890 N/A MET 19.A N.B ALA 15.A O no hydrogen 2.838 N/A LEU 20.A N.A VAL 16.A O no hydrogen 2.912 N/A LEU 20.A N.B VAL 16.A O no hydrogen 3.040 N/A ASN 21.A N ASN 17.A O no hydrogen 3.159 N/A ASN 21.A ND2 ASP 80.A O no hydrogen 3.002 N/A LEU 22.A N ARG 18.A O no hydrogen 3.046 N/A GLU 23.A N MET 19.A O.A no hydrogen 2.915 N/A GLU 23.A N MET 19.A O.B no hydrogen 3.023 N/A LEU 24.A N LEU 20.A O.A no hydrogen 3.083 N/A LEU 24.A N LEU 20.A O.B no hydrogen 3.017 N/A TYR 25.A N ASN 21.A O no hydrogen 2.846 N/A ALA 26.A N LEU 22.A O no hydrogen 2.883 N/A SER 27.A N GLU 23.A O no hydrogen 2.893 N/A SER 27.A OG SER 55.A O no hydrogen 2.795 N/A SER 27.A OG SER 55.A OG.A no hydrogen 3.161 N/A TYR 28.A N LEU 24.A O no hydrogen 2.986 N/A THR 29.A N TYR 25.A O no hydrogen 2.998 N/A THR 29.A OG1 TYR 25.A O no hydrogen 3.451 N/A TYR 30.A N ALA 26.A O no hydrogen 3.021 N/A TYR 30.A OH.A GLU 103.A OE2 no hydrogen 2.619 N/A TYR 30.A OH.B ALA 99.A O no hydrogen 3.369 N/A TYR 30.A OH.B GLU 103.A OE2 no hydrogen 2.809 N/A SER 31.A N SER 27.A O no hydrogen 2.939 N/A SER 31.A OG.B TYR 28.A O no hydrogen 2.788 N/A SER 31.A OG.C SER 27.A O no hydrogen 3.293 N/A SER 31.A OG.C SER 55.A OG.A no hydrogen 2.820 N/A SER 32.A N TYR 28.A O no hydrogen 3.014 N/A MET 33.A N THR 29.A O no hydrogen 3.052 N/A TYR 34.A N TYR 30.A O no hydrogen 2.935 N/A ALA 35.A N SER 31.A O no hydrogen 3.019 N/A PHE 36.A N SER 32.A O no hydrogen 2.990 N/A PHE 37.A N MET 33.A O no hydrogen 3.049 N/A ASP 38.A N TYR 34.A O no hydrogen 3.105 N/A ARG 39.A N PHE 36.A O no hydrogen 3.093 N/A ARG 39.A NE ASP 41.A OD1.A no hydrogen 2.875 N/A ARG 39.A NE ASP 41.A OD1.B no hydrogen 2.866 N/A ARG 39.A NH2 ASP 41.A OD1.A no hydrogen 3.326 N/A ARG 39.A NH2 ASP 41.A OD1.B no hydrogen 3.376 N/A ARG 39.A NH2 ASP 41.A OD2.A no hydrogen 2.996 N/A ARG 39.A NH2 ASP 41.A OD2.B no hydrogen 2.769 N/A VAL 42.A N ARG 39.A O no hydrogen 3.018 N/A LEU 44.A N PHE 37.A O no hydrogen 3.040 N/A ASN 46.A ND2 ASP 167.A O no hydrogen 2.865 N/A ASN 46.A ND2 GLU 173.A OE2 no hydrogen 3.207 N/A VAL 47.A N ASP 167.A OD2 no hydrogen 3.117 N/A ALA 48.A N LEU 44.A O no hydrogen 2.921 N/A GLU 49.A N HIS 45.A O no hydrogen 2.951 N/A PHE 50.A N ASN 46.A O no hydrogen 3.014 N/A PHE 51.A N VAL 47.A O no hydrogen 3.127 N/A LYS 52.A N ALA 48.A O no hydrogen 2.892 N/A GLU 53.A N GLU 49.A O no hydrogen 2.922 N/A HIS 54.A N.A PHE 50.A O no hydrogen 3.037 N/A HIS 54.A N.B PHE 50.A O no hydrogen 3.149 N/A SER 55.A N PHE 51.A O no hydrogen 2.891 N/A SER 55.A OG.A SER 27.A O no hydrogen 2.840 N/A SER 55.A OG.A SER 27.A OG no hydrogen 3.161 N/A SER 55.A OG.A SER 31.A OG.C no hydrogen 2.820 N/A SER 55.A OG.B LYS 52.A O no hydrogen 2.731 N/A HIS 56.A N LYS 52.A O no hydrogen 3.113 N/A ALA 57.A N GLU 53.A O no hydrogen 3.014 N/A GLU 58.A N HIS 54.A O.A no hydrogen 2.994 N/A GLU 58.A N HIS 54.A O.B no hydrogen 2.968 N/A ARG 59.A N SER 55.A O no hydrogen 3.168 N/A GLU 60.A N HIS 56.A O no hydrogen 3.021 N/A HIS 61.A N ALA 57.A O no hydrogen 2.922 N/A HIS 61.A ND1 GLU 58.A OE1 no hydrogen 3.128 N/A ALA 62.A N GLU 58.A O no hydrogen 3.008 N/A GLU 63.A N ARG 59.A O no hydrogen 2.944 N/A LYS 64.A N.A GLU 60.A O no hydrogen 2.977 N/A LYS 64.A N.B GLU 60.A O no hydrogen 2.956 N/A LYS 64.A NZ.A GLU 132.A OE1 no hydrogen 2.725 N/A LYS 64.A NZ.B GLU 132.A O no hydrogen 3.296 N/A LYS 64.A NZ.B GLU 132.A OE1 no hydrogen 3.407 N/A PHE 65.A N HIS 61.A O no hydrogen 3.256 N/A MET 66.A N ALA 62.A O no hydrogen 3.081 N/A LYS 67.A N GLU 63.A O no hydrogen 3.002 N/A TYR 68.A N LYS 64.A O.A no hydrogen 2.906 N/A TYR 68.A N LYS 64.A O.B no hydrogen 3.048 N/A TYR 68.A OH HIS 124.A ND1 no hydrogen 2.780 N/A GLN 69.A N PHE 65.A O no hydrogen 2.914 N/A GLN 69.A NE2 GLU 13.A O no hydrogen 2.989 N/A GLN 69.A NE2 ASN 17.A OD1 no hydrogen 3.010 N/A ASN 70.A N MET 66.A O no hydrogen 3.196 N/A LYS 71.A N LYS 67.A O no hydrogen 2.922 N/A ARG 72.A N TYR 68.A O no hydrogen 3.050 N/A ARG 72.A NH1 TYR 68.A OH no hydrogen 2.861 N/A ARG 72.A NH1 ASP 122.A OD1 no hydrogen 3.043 N/A ARG 72.A NH1 ASP 122.A OD2 no hydrogen 3.069 N/A ARG 72.A NH2 GLN 6.A O no hydrogen 2.993 N/A ARG 72.A NH2 ASN 7.A O no hydrogen 2.930 N/A ARG 72.A NH2 ASP 122.A OD2 no hydrogen 3.376 N/A GLY 73.A N ASN 70.A O no hydrogen 3.120 N/A GLY 74.A N GLN 69.A O no hydrogen 2.907 N/A ARG 75.A N GLU 13.A OE2 no hydrogen 2.901 N/A ARG 75.A NH1 GLY 74.A O no hydrogen 2.819 N/A VAL 77.A N ASN 17.A OD1 no hydrogen 3.194 N/A ARG 86.A NE.A GLU 88.A O no hydrogen 2.898 N/A ARG 86.A NH1.A GLU 94.A OE2.A no hydrogen 3.068 N/A ARG 86.A NH2.A GLU 88.A O no hydrogen 3.189 N/A ARG 86.A NH2.A GLU 88.A OE2 no hydrogen 3.087 N/A ARG 86.A NH2.A GLU 94.A OE2.A no hydrogen 2.858 N/A TRP 89.A NE1 SER 32.A OG no hydrogen 2.906 N/A GLY 90.A N GLU 88.A OE1 no hydrogen 2.906 N/A ASN 91.A N TRP 89.A O no hydrogen 2.858 N/A THR 92.A N GLU 163.A OE2 no hydrogen 2.810 N/A THR 92.A OG1 GLU 163.A OE2 no hydrogen 2.713 N/A GLU 94.A N ASN 91.A OD1 no hydrogen 2.958 N/A ALA 95.A N ASN 91.A O no hydrogen 2.969 N/A MET 96.A N THR 92.A O no hydrogen 2.939 N/A GLN 97.A N LEU 93.A O no hydrogen 2.870 N/A ALA 98.A N GLU 94.A O no hydrogen 2.989 N/A ALA 99.A N ALA 95.A O no hydrogen 2.845 N/A LEU 100.A N MET 96.A O no hydrogen 2.847 N/A GLN 101.A N GLN 97.A O no hydrogen 3.093 N/A LEU 102.A N ALA 98.A O no hydrogen 2.902 N/A GLU 103.A N ALA 99.A O no hydrogen 2.855 N/A LYS 104.A N LEU 100.A O no hydrogen 2.957 N/A THR 105.A N GLN 101.A O no hydrogen 2.884 N/A THR 105.A OG1 GLN 101.A O no hydrogen 2.971 N/A VAL 106.A N LEU 102.A O no hydrogen 2.900 N/A ASN 107.A N GLU 103.A O no hydrogen 2.834 N/A GLN 108.A N LYS 104.A O no hydrogen 2.850 N/A GLN 108.A NE2 GLN 108.A O no hydrogen 3.342 N/A GLN 108.A NE2 ASP 112.A OD1 no hydrogen 2.950 N/A ALA 109.A N THR 105.A O no hydrogen 3.086 N/A LEU 110.A N VAL 106.A O no hydrogen 2.942 N/A LEU 111.A N ASN 107.A O no hydrogen 2.866 N/A ASP 112.A N GLN 108.A O no hydrogen 2.837 N/A LEU 113.A N ALA 109.A O no hydrogen 2.931 N/A HIS 114.A N LEU 110.A O no hydrogen 2.881 N/A HIS 114.A NE2 GLU 130.A OE2 no hydrogen 2.642 N/A LYS 115.A N LEU 111.A O no hydrogen 2.946 N/A LYS 115.A NZ ASP 119.A OD1.A no hydrogen 2.935 N/A LYS 115.A NZ ASP 119.A OD2.A no hydrogen 3.127 N/A LEU 116.A N ASP 112.A O no hydrogen 2.979 N/A ALA 117.A N LEU 113.A O no hydrogen 2.884 N/A THR 118.A N HIS 114.A O no hydrogen 2.886 N/A THR 118.A OG1 HIS 114.A O no hydrogen 2.926 N/A ASP 119.A N LYS 115.A O no hydrogen 2.876 N/A LYS 120.A N LEU 116.A O no hydrogen 2.898 N/A VAL 121.A N THR 118.A O no hydrogen 3.018 N/A ASP 122.A N ALA 117.A O no hydrogen 2.883 N/A HIS 124.A ND1 TYR 68.A OH no hydrogen 2.780 N/A LEU 125.A N ASP 122.A OD1 no hydrogen 3.011 N/A CYS 126.A N ASP 122.A O no hydrogen 3.094 N/A CYS 126.A SG THR 118.A OG1 no hydrogen 3.548 N/A CYS 126.A SG ASP 122.A O no hydrogen 3.507 N/A ASP 127.A N PRO 123.A O no hydrogen 2.886 N/A PHE 128.A N HIS 124.A O no hydrogen 2.948 N/A LEU 129.A N LEU 125.A O no hydrogen 3.025 N/A GLU 130.A N CYS 126.A O no hydrogen 2.942 N/A SER 131.A N ASP 127.A O no hydrogen 2.792 N/A SER 131.A OG.A ASP 127.A O no hydrogen 2.886 N/A SER 131.A OG.A ASP 127.A OD1 no hydrogen 3.113 N/A SER 131.A OG.B ASP 127.A O no hydrogen 2.680 N/A SER 131.A OG.B PHE 128.A O no hydrogen 3.453 N/A GLU 132.A N PHE 128.A O no hydrogen 2.918 N/A TYR 133.A N LEU 129.A O no hydrogen 2.963 N/A TYR 133.A OH HIS 61.A O no hydrogen 2.851 N/A LEU 134.A N LEU 129.A O no hydrogen 2.901 N/A GLN 137.A N TYR 133.A O no hydrogen 3.020 N/A GLN 137.A NE2.A GLU 103.A O no hydrogen 2.987 N/A GLN 137.A NE2.B GLU 103.A O no hydrogen 3.103 N/A GLN 137.A NE2.B GLU 103.A OE1 no hydrogen 2.808 N/A VAL 138.A N LEU 134.A O no hydrogen 3.125 N/A LYS 139.A N GLU 135.A O no hydrogen 2.938 N/A ALA 140.A N ALA 136.A O no hydrogen 2.954 N/A ILE 141.A N GLN 137.A O no hydrogen 2.965 N/A LYS 142.A N VAL 138.A O no hydrogen 2.999 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 2.877 N/A LYS 142.A NZ ASP 146.A OD2 no hydrogen 3.052 N/A ARG 143.A N LYS 139.A O no hydrogen 2.986 N/A ILE 144.A N ALA 140.A O no hydrogen 3.014 N/A GLY 145.A N ILE 141.A O no hydrogen 2.904 N/A ASP 146.A N LYS 142.A O no hydrogen 2.908 N/A PHE 147.A N ARG 143.A O no hydrogen 3.004 N/A ILE 148.A N ILE 144.A O no hydrogen 2.906 N/A THR 149.A N GLY 145.A O no hydrogen 2.987 N/A THR 149.A OG1 GLY 145.A O no hydrogen 3.242 N/A ASN 150.A N ASP 146.A O no hydrogen 3.092 N/A ASN 150.A ND2 ASP 146.A O no hydrogen 2.978 N/A LEU 151.A N PHE 147.A O no hydrogen 2.791 N/A LYS 152.A N ILE 148.A O no hydrogen 2.935 N/A ARG 153.A N THR 149.A O no hydrogen 3.017 N/A ARG 153.A NH1.A ASN 150.A OD1 no hydrogen 2.909 N/A ARG 153.A NH2.B ASN 150.A OD1 no hydrogen 2.766 N/A LEU 154.A N ASN 150.A O no hydrogen 2.904 N/A GLY 155.A N LYS 152.A O no hydrogen 2.978 N/A LEU 156.A N LEU 151.A O no hydrogen 3.077 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.825 N/A ASN 159.A N GLY 155.A O no hydrogen 2.951 N/A GLY 162.A N ASN 159.A OD1 no hydrogen 3.024 N/A GLU 163.A N ASN 159.A O no hydrogen 3.077 N/A TYR 164.A N GLY 160.A O no hydrogen 2.960 N/A LEU 165.A N MET 161.A O no hydrogen 2.916 N/A PHE 166.A N GLY 162.A O no hydrogen 2.966 N/A ASP 167.A N GLU 163.A O no hydrogen 3.171 N/A LYS 168.A N TYR 164.A O no hydrogen 3.079 N/A HIS 169.A N LEU 165.A O no hydrogen 2.898 N/A HIS 169.A N PHE 166.A O no hydrogen 3.316 N/A HIS 169.A ND1 LEU 165.A O no hydrogen 2.920 N/A SER 170.A N PHE 166.A O no hydrogen 2.862 N/A