Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N GLY 1.A O no hydrogen 3.051 N/A HIS 6.A N HIS 2.A O no hydrogen 2.998 N/A HIS 7.A N HIS 3.A O no hydrogen 3.045 N/A HIS 7.A NE2 GLU 51.A OE2 no hydrogen 2.494 N/A ASP 9.A N HIS 6.A O no hydrogen 2.801 N/A ILE 10.A N HIS 7.A O no hydrogen 2.933 N/A VAL 12.A N ASP 8.A O no hydrogen 3.080 N/A PHE 13.A N ASP 9.A O no hydrogen 2.772 N/A GLN 14.A N ILE 10.A O no hydrogen 2.768 N/A ASN 15.A N LYS 11.A O no hydrogen 3.066 N/A GLU 16.A N VAL 12.A O no hydrogen 2.970 N/A VAL 17.A N PHE 13.A O no hydrogen 3.002 N/A LEU 18.A N GLN 14.A O no hydrogen 2.888 N/A GLY 19.A N ASN 15.A O no hydrogen 3.061 N/A THR 20.A N GLU 16.A O no hydrogen 2.907 N/A THR 20.A OG1 GLU 16.A O no hydrogen 3.151 N/A THR 20.A OG1 GLU 37.A OE1 no hydrogen 2.959 N/A LEU 21.A N VAL 17.A O no hydrogen 3.010 N/A GLN 22.A N LEU 18.A O no hydrogen 2.781 N/A ARG 23.A N GLY 19.A O no hydrogen 3.147 N/A ARG 23.A NH1 GLU 37.A OE2 no hydrogen 2.894 N/A ARG 23.A NH2 GLU 37.A OE1 no hydrogen 2.345 N/A ARG 23.A NH2 GLU 37.A OE2 no hydrogen 3.152 N/A GLY 24.A N THR 20.A O no hydrogen 2.822 N/A LYS 25.A N LEU 21.A O no hydrogen 2.839 N/A GLU 26.A N GLN 22.A O no hydrogen 3.026 N/A GLU 27.A N ARG 23.A O no hydrogen 2.905 N/A ILE 29.A N GLY 24.A O no hydrogen 3.212 N/A CYS 31.A SG ALA 85.A O no hydrogen 3.198 N/A ASN 33.A N SER 30.A OG no hydrogen 3.088 N/A LEU 34.A N SER 30.A O no hydrogen 2.911 N/A VAL 35.A N CYS 31.A O no hydrogen 2.929 N/A LEU 36.A N ASP 32.A O no hydrogen 3.044 N/A GLU 37.A N ASN 33.A O no hydrogen 3.032 N/A ILE 38.A N LEU 34.A O no hydrogen 2.875 N/A ASN 39.A N VAL 35.A O no hydrogen 2.805 N/A SER 40.A N LEU 36.A O no hydrogen 3.143 N/A LEU 41.A N GLU 37.A O no hydrogen 2.978 N/A LYS 42.A N ILE 38.A O no hydrogen 2.930 N/A LYS 42.A NZ ILE 47.A O no hydrogen 2.593 N/A TYR 43.A N ASN 39.A O no hydrogen 3.288 N/A ALA 44.A N SER 40.A O no hydrogen 2.738 N/A TYR 45.A N LEU 41.A O no hydrogen 2.821 N/A ASN 46.A N TYR 43.A O no hydrogen 3.296 N/A ILE 47.A N LYS 42.A O no hydrogen 3.061 N/A SER 48.A N GLU 51.A OE1 no hydrogen 2.793 N/A GLU 51.A N SER 48.A OG no hydrogen 3.098 N/A VAL 52.A N SER 48.A O no hydrogen 3.000 N/A GLN 53.A NE2 GLU 102.A OE1 no hydrogen 2.972 N/A VAL 54.A N GLU 51.A O no hydrogen 2.908 N/A LEU 55.A N VAL 52.A O no hydrogen 2.800 N/A HIS 57.A N GLN 53.A O no hydrogen 2.961 N/A VAL 58.A N VAL 54.A O no hydrogen 2.844 N/A VAL 59.A N LEU 55.A O no hydrogen 2.990 N/A LEU 60.A N SER 56.A O no hydrogen 3.066 N/A GLU 61.A N HIS 57.A O no hydrogen 2.788 N/A PHE 62.A N VAL 59.A O no hydrogen 3.208 N/A LEU 64.A N GLU 61.A O no hydrogen 3.027 N/A GLN 65.A N PHE 62.A O no hydrogen 3.286 N/A GLN 66.A N PRO 63.A O no hydrogen 2.836 N/A ARG 74.A N ASP 71.A OD2 no hydrogen 3.374 N/A TYR 75.A N ASP 71.A O no hydrogen 2.949 N/A TYR 75.A OH LEU 60.A O no hydrogen 2.672 N/A CYS 76.A N SER 72.A O no hydrogen 2.916 N/A ALA 77.A N SER 73.A O no hydrogen 2.977 N/A LEU 78.A N ARG 74.A O no hydrogen 3.141 N/A LEU 79.A N TYR 75.A O no hydrogen 2.804 N/A LEU 80.A N CYS 76.A O no hydrogen 3.084 N/A LEU 82.A N LEU 79.A O no hydrogen 2.868 N/A LEU 83.A N LEU 79.A O no hydrogen 3.125 N/A LYS 84.A N LEU 80.A O no hydrogen 3.092 N/A ALA 85.A N PRO 81.A O no hydrogen 3.018 N/A TRP 86.A N LEU 82.A O no hydrogen 2.981 N/A VAL 89.A N TRP 86.A O no hydrogen 2.864 N/A PHE 90.A N TRP 86.A O no hydrogen 3.255 N/A ARG 91.A N SER 87.A O no hydrogen 3.055 N/A ASN 92.A N PRO 88.A O no hydrogen 3.093 N/A ASN 92.A N VAL 89.A O no hydrogen 3.330 N/A TYR 93.A N PHE 90.A O no hydrogen 3.229 N/A TYR 93.A OH ASN 39.A OD1 no hydrogen 2.912 N/A ILE 94.A N PHE 90.A O no hydrogen 2.862 N/A LYS 95.A N ASP 99.A OD2 no hydrogen 3.008 N/A LYS 95.A NZ ASN 92.A O no hydrogen 3.126 N/A ARG 96.A N ASP 99.A OD2 no hydrogen 2.719 N/A HIS 100.A N ARG 96.A O no hydrogen 2.955 N/A HIS 100.A ND1 ARG 96.A O no hydrogen 3.252 N/A LEU 101.A N ALA 97.A O no hydrogen 3.058 N/A GLU 102.A N ALA 98.A O no hydrogen 2.927 N/A ALA 103.A N ASP 99.A O no hydrogen 3.107 N/A LEU 104.A N HIS 100.A O no hydrogen 2.944 N/A ALA 105.A N LEU 101.A O no hydrogen 3.046 N/A ALA 106.A N GLU 102.A O no hydrogen 3.147 N/A ILE 107.A N ALA 103.A O no hydrogen 2.814 N/A GLU 108.A N LEU 104.A O no hydrogen 2.786 N/A ASP 109.A N ALA 105.A O no hydrogen 2.960 N/A PHE 110.A N ALA 106.A O no hydrogen 3.058 N/A PHE 111.A N ILE 107.A O no hydrogen 3.013 N/A LEU 112.A N GLU 108.A O no hydrogen 2.932 N/A GLU 113.A N ASP 109.A O no hydrogen 3.020 N/A GLU 113.A N PHE 110.A O no hydrogen 3.181 N/A HIS 114.A N PHE 111.A O no hydrogen 3.003 N/A HIS 114.A ND1 PHE 110.A O no hydrogen 2.780 N/A LEU 117.A N HIS 114.A O no hydrogen 2.779 N/A GLY 118.A N GLU 115.A O no hydrogen 3.238 N/A SER 120.A N LEU 117.A O no hydrogen 2.774 N/A SER 120.A OG LEU 117.A O no hydrogen 2.626 N/A VAL 123.A N SER 120.A O no hydrogen 3.073 N/A PHE 126.A N VAL 123.A O no hydrogen 2.998 N/A TYR 127.A N LEU 124.A O no hydrogen 2.792 N/A TYR 127.A OH GLU 168.A OE2 no hydrogen 2.424 N/A LEU 129.A N ALA 125.A O no hydrogen 2.972 N/A GLU 130.A N TYR 127.A O no hydrogen 2.931 N/A ILE 131.A N PHE 126.A O no hydrogen 2.923 N/A LEU 132.A N PHE 126.A O no hydrogen 3.053 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.613 N/A THR 136.A OG1 ALA 133.A O no hydrogen 2.848 N/A ILE 137.A N ALA 133.A O no hydrogen 3.152 N/A LEU 138.A N GLY 134.A O no hydrogen 3.048 N/A SER 139.A N GLU 135.A O no hydrogen 3.008 N/A SER 139.A OG.B GLU 135.A O no hydrogen 2.741 N/A TRP 140.A N THR 136.A O no hydrogen 2.835 N/A TRP 140.A NE1 GLU 108.A OE1 no hydrogen 3.026 N/A PHE 141.A N ILE 137.A O no hydrogen 2.966 N/A SER 142.A N LEU 138.A O no hydrogen 3.115 N/A SER 142.A N SER 139.A O no hydrogen 3.119 N/A SER 142.A OG LEU 138.A O no hydrogen 3.010 N/A GLN 143.A N TRP 140.A O no hydrogen 3.221 N/A LYS 147.A NZ.A LEU 112.A O no hydrogen 2.826 N/A GLN 149.A NE2 ASP 145.A O no hydrogen 2.299 N/A GLN 150.A N ASP 146.A O no hydrogen 3.176 N/A LEU 151.A N LYS 147.A O no hydrogen 2.851 N/A ARG 152.A N GLY 148.A O no hydrogen 3.337 N/A ARG 152.A NE PHE 141.A O no hydrogen 2.827 N/A ARG 152.A NH1 GLU 108.A OE2 no hydrogen 3.009 N/A ARG 152.A NH1 GLY 148.A O no hydrogen 2.993 N/A ARG 152.A NH2 GLU 108.A OE1 no hydrogen 3.437 N/A ARG 152.A NH2 TRP 140.A O no hydrogen 2.845 N/A ASN 154.A N LEU 151.A O no hydrogen 2.859 N/A GLN 158.A N ASN 154.A O no hydrogen 2.920 N/A ARG 159.A N GLN 155.A O no hydrogen 2.951 N/A PHE 160.A N GLN 156.A O no hydrogen 3.083 N/A ILE 161.A N LEU 157.A O no hydrogen 2.674 N/A GLN 162.A N GLN 158.A O no hydrogen 2.982 N/A TRP 163.A N ARG 159.A O no hydrogen 3.039 N/A LEU 164.A N PHE 160.A O no hydrogen 2.779 N/A LYS 165.A N ILE 161.A O no hydrogen 3.263 N/A LYS 165.A NZ GLN 162.A OE1 no hydrogen 3.369 N/A GLU 166.A N TRP 163.A O no hydrogen 3.009 N/A ALA 167.A N TRP 163.A O no hydrogen 3.304 N/A GLU 168.A N LEU 164.A O no hydrogen 3.396 N/A GLU 169.A N LYS 165.A O no hydrogen 3.289 N/A