Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1j1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N GLN 40.A O no hydrogen 2.800 N/A SER 4.A OG ASP 3.A OD1 no hydrogen 2.697 N/A PHE 5.A N PHE 170.A O no hydrogen 2.879 N/A TRP 6.A N TRP 38.A O no hydrogen 2.956 N/A PHE 7.A N ALA 168.A O no hydrogen 2.823 N/A VAL 8.A N GLY 36.A O no hydrogen 2.873 N/A GLN 9.A N VAL 166.A O no hydrogen 2.996 N/A GLN 9.A NE2 TYR 113.A O no hydrogen 3.169 N/A GLN 10.A N THR 33.A O no hydrogen 2.793 N/A GLN 10.A NE2 ILE 34.A O no hydrogen 3.631 N/A TRP 11.A N VAL 164.A O no hydrogen 2.897 N/A VAL 15.A N TRP 11.A O no hydrogen 3.065 N/A CYS 16.A N PRO 12.A O no hydrogen 3.019 N/A CYS 16.A SG VAL 73.A O no hydrogen 3.430 N/A SER 17.A N PRO 13.A O no hydrogen 2.946 N/A SER 17.A N ALA 14.A O no hydrogen 3.133 N/A SER 17.A OG ALA 14.A O no hydrogen 2.577 N/A PHE 18.A N VAL 15.A O no hydrogen 3.384 N/A GLN 19.A N CYS 16.A O no hydrogen 3.009 N/A GLN 19.A NE2 SER 21.A O no hydrogen 2.947 N/A GLN 19.A NE2 SER 23.A O no hydrogen 2.709 N/A LYS 20.A NZ ASP 155.A OD2 no hydrogen 3.426 N/A CYS 24.A SG GLN 19.A OE1 no hydrogen 3.685 N/A CYS 24.A SG VAL 73.A O no hydrogen 3.748 N/A GLY 26.A N VAL 73.A O no hydrogen 2.882 N/A SER 27.A N CYS 24.A O no hydrogen 2.895 N/A SER 27.A OG CYS 24.A O no hydrogen 3.224 N/A GLY 28.A N PRO 25.A O no hydrogen 3.278 N/A LEU 29.A N GLY 26.A O no hydrogen 3.352 N/A ARG 30.A NH2 SER 27.A O no hydrogen 2.967 N/A THR 33.A N GLN 10.A O no hydrogen 3.055 N/A ILE 34.A N LEU 69.A O no hydrogen 2.791 N/A HIS 35.A N VAL 8.A O no hydrogen 2.840 N/A HIS 35.A ND1 GLU 165.A OE2 no hydrogen 2.557 N/A GLY 36.A N VAL 8.A O no hydrogen 3.185 N/A TRP 38.A N TRP 6.A O no hydrogen 2.820 N/A TRP 38.A NE1 GLU 85.A OE1 no hydrogen 3.200 N/A GLN 40.A N SER 4.A O no hydrogen 2.737 N/A GLN 40.A NE2 TRP 38.A O no hydrogen 3.083 N/A GLN 40.A NE2 SER 45.A OG no hydrogen 2.892 N/A GLN 41.A N THR 44.A O no hydrogen 2.914 N/A GLN 41.A NE2 SER 42.A OG no hydrogen 2.804 N/A SER 42.A N ASP 3.A OD2 no hydrogen 2.910 N/A THR 44.A N GLN 41.A O no hydrogen 3.256 N/A THR 44.A OG1 SER 45.A O no hydrogen 3.568 N/A LEU 46.A N PRO 39.A O no hydrogen 2.999 N/A ASN 48.A N LYS 88.A O no hydrogen 2.830 N/A SER 52.A N GLU 94.A OE1 no hydrogen 2.928 N/A SER 52.A OG GLU 94.A OE2 no hydrogen 2.629 N/A ASP 55.A N GLN 99.A OE1 no hydrogen 2.799 N/A THR 57.A N ASP 55.A OD1 no hydrogen 3.059 N/A THR 57.A OG1 ASP 55.A OD1 no hydrogen 2.631 N/A THR 57.A OG1 ASP 55.A OD2 no hydrogen 3.022 N/A LYS 58.A N ASP 55.A O no hydrogen 2.957 N/A ILE 59.A N ILE 56.A O no hydrogen 3.176 N/A LEU 62.A N ILE 59.A O no hydrogen 2.878 N/A GLN 63.A N SER 60.A O no hydrogen 3.386 N/A GLN 63.A NE2 SER 60.A O no hydrogen 2.926 N/A LEU 66.A N LEU 62.A O no hydrogen 2.824 N/A ASN 67.A N GLN 63.A O no hydrogen 2.889 N/A THR 68.A N SER 64.A O no hydrogen 3.062 N/A THR 68.A OG1 SER 64.A O no hydrogen 3.094 N/A LEU 69.A N GLN 65.A O no hydrogen 2.807 N/A TRP 70.A N LEU 66.A O no hydrogen 2.761 N/A THR 72.A N ASN 78.A OD1 no hydrogen 2.977 N/A LEU 74.A N THR 72.A OG1 no hydrogen 3.249 N/A ARG 75.A N THR 72.A OG1 no hydrogen 2.994 N/A ASN 78.A ND2 ASN 67.A OD1 no hydrogen 2.801 N/A GLN 80.A N ASN 77.A OD1 no hydrogen 2.704 N/A TRP 82.A N ASN 78.A O no hydrogen 3.004 N/A TRP 82.A NE1 TRP 70.A O no hydrogen 2.727 N/A SER 83.A N GLN 79.A O no hydrogen 2.846 N/A HIS 84.A N GLN 80.A O no hydrogen 3.039 N/A GLU 85.A N PHE 81.A O no hydrogen 2.955 N/A TRP 86.A N TRP 82.A O no hydrogen 2.889 N/A TRP 86.A NE1 SER 52.A O no hydrogen 2.868 N/A THR 87.A N SER 83.A O no hydrogen 2.958 N/A THR 87.A OG1 SER 83.A O no hydrogen 3.226 N/A LYS 88.A N HIS 84.A O no hydrogen 2.944 N/A HIS 89.A N GLU 85.A O no hydrogen 2.931 N/A GLY 90.A N GLU 85.A O no hydrogen 3.050 N/A THR 91.A N TRP 86.A O no hydrogen 2.875 N/A THR 91.A OG1 CYS 49.A O no hydrogen 2.906 N/A THR 91.A OG1 THR 87.A O no hydrogen 3.141 N/A CYS 92.A N HIS 89.A O no hydrogen 2.973 N/A CYS 92.A SG LEU 46.A O no hydrogen 3.270 N/A SER 93.A N GLY 90.A O no hydrogen 3.122 N/A SER 93.A OG GLY 90.A O no hydrogen 3.422 N/A GLU 94.A N THR 91.A O no hydrogen 3.243 N/A THR 96.A N SER 93.A O no hydrogen 3.158 N/A THR 96.A OG1 SER 93.A O no hydrogen 3.505 N/A PHE 97.A N SER 93.A O no hydrogen 2.898 N/A GLN 99.A NE2 ASP 55.A O no hydrogen 2.650 N/A ALA 101.A N ASN 98.A OD1 no hydrogen 2.801 N/A TYR 102.A N ASN 98.A O no hydrogen 2.852 N/A TYR 102.A OH LEU 37.A O no hydrogen 2.652 N/A PHE 103.A N GLN 99.A O no hydrogen 3.123 N/A LYS 104.A N ALA 100.A O no hydrogen 3.072 N/A LYS 104.A NZ ASP 108.A OD1 no hydrogen 2.794 N/A LEU 105.A N ALA 101.A O no hydrogen 2.801 N/A ALA 106.A N TYR 102.A O no hydrogen 3.089 N/A VAL 107.A N PHE 103.A O no hydrogen 3.071 N/A ASP 108.A N LYS 104.A O no hydrogen 2.888 N/A MET 109.A N LEU 105.A O no hydrogen 2.831 N/A ARG 110.A N ALA 106.A O no hydrogen 2.973 N/A ARG 110.A NE PHE 32.A O no hydrogen 2.831 N/A ARG 110.A NH1 ARG 110.A O no hydrogen 2.943 N/A ARG 110.A NH2 PHE 32.A O no hydrogen 3.036 N/A ASN 111.A N VAL 107.A O no hydrogen 2.996 N/A ASN 112.A N ASP 108.A O no hydrogen 2.941 N/A ASN 112.A N MET 109.A O no hydrogen 3.200 N/A TYR 113.A N ARG 110.A O no hydrogen 3.233 N/A GLY 117.A N ASP 114.A OD1 no hydrogen 2.955 N/A ALA 118.A N ASP 114.A O no hydrogen 3.146 N/A LEU 119.A N ILE 115.A O no hydrogen 3.130 N/A LEU 119.A N ILE 116.A O no hydrogen 3.156 N/A ARG 120.A N ILE 116.A O no hydrogen 2.829 N/A HIS 122.A N LEU 119.A O no hydrogen 3.102 N/A ALA 123.A N ARG 120.A O no hydrogen 3.039 N/A ALA 124.A N LEU 119.A O no hydrogen 3.019 N/A ASN 127.A N PHE 191.A O no hydrogen 3.061 N/A ASN 127.A N PHE 191.A OXT no hydrogen 3.257 N/A GLY 128.A N PHE 191.A OXT no hydrogen 2.762 N/A ARG 129.A N ASN 127.A OD1 no hydrogen 2.790 N/A LYS 131.A N PHE 189.A O no hydrogen 2.751 N/A LYS 131.A NZ GLY 125.A O no hydrogen 3.222 N/A LYS 131.A NZ PHE 191.A O no hydrogen 2.965 N/A ARG 133.A N ALA 187.A O no hydrogen 2.840 N/A ARG 133.A NH1 CYS 185.A O no hydrogen 2.704 N/A ALA 135.A N SER 132.A OG no hydrogen 3.136 N/A ILE 136.A N SER 132.A O no hydrogen 2.884 N/A LYS 137.A N ARG 133.A O no hydrogen 2.979 N/A LYS 137.A NZ ASP 183.A OD2 no hydrogen 2.640 N/A GLY 138.A N GLN 134.A O no hydrogen 2.798 N/A PHE 139.A N ALA 135.A O no hydrogen 2.868 N/A LEU 140.A N ILE 136.A O no hydrogen 3.064 N/A LYS 141.A N LYS 137.A O no hydrogen 2.893 N/A LYS 141.A NZ GLY 145.A O no hydrogen 3.269 N/A ALA 142.A N GLY 138.A O no hydrogen 2.976 N/A LYS 143.A N PHE 139.A O no hydrogen 3.115 N/A PHE 144.A N LEU 140.A O no hydrogen 2.846 N/A GLY 145.A N LYS 141.A O no hydrogen 2.584 N/A PHE 147.A N ASP 179.A OD1 no hydrogen 2.779 N/A GLY 149.A N VAL 167.A O no hydrogen 2.811 N/A LEU 150.A N ASP 183.A OD1 no hydrogen 2.808 N/A ARG 151.A N GLU 165.A O no hydrogen 2.846 N/A ARG 151.A NE GLU 165.A OE1 no hydrogen 3.278 N/A ARG 151.A NH2 GLU 165.A OE1 no hydrogen 3.403 N/A CYS 152.A N THR 184.A OG1 no hydrogen 3.116 N/A ARG 153.A N TYR 162.A O no hydrogen 2.906 N/A ASP 155.A N VAL 160.A O no hydrogen 2.954 N/A GLN 157.A N ASP 155.A OD1 no hydrogen 2.787 N/A THR 158.A N ASP 155.A OD1 no hydrogen 3.148 N/A LYS 159.A N ASP 155.A O no hydrogen 2.745 N/A LYS 159.A NZ PRO 156.A O no hydrogen 3.053 N/A VAL 160.A N THR 158.A OG1 no hydrogen 3.239 N/A TYR 162.A N ARG 153.A O no hydrogen 2.911 N/A LEU 163.A N ILE 190.A O no hydrogen 3.036 N/A VAL 164.A N ARG 151.A O no hydrogen 2.827 N/A GLU 165.A N ARG 151.A O no hydrogen 3.066 N/A VAL 166.A N GLN 9.A O no hydrogen 3.000 N/A VAL 167.A N GLY 149.A O no hydrogen 2.719 N/A ALA 168.A N PHE 7.A O no hydrogen 2.930 N/A PHE 170.A N PHE 5.A O no hydrogen 2.978 N/A ALA 171.A N THR 176.A O no hydrogen 2.813 N/A GLY 174.A N ALA 171.A O no hydrogen 2.932 N/A SER 175.A N ASP 173.A OD1 no hydrogen 2.867 N/A THR 176.A N ASP 173.A OD1 no hydrogen 2.891 N/A THR 176.A OG1 ASP 173.A OD1 no hydrogen 3.546 N/A THR 176.A OG1 ASP 173.A OD2 no hydrogen 2.546 N/A ILE 178.A N CYS 169.A O no hydrogen 2.838 N/A CYS 180.A N PHE 147.A O no hydrogen 2.902 N/A CYS 180.A SG VAL 167.A O no hydrogen 3.448 N/A THR 184.A N LEU 150.A O no hydrogen 2.815 N/A PHE 189.A N LYS 131.A O no hydrogen 3.190 N/A ILE 190.A N SER 161.A O no hydrogen 2.773 N/A PHE 191.A N ARG 129.A O no hydrogen 2.908 N/A