Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ljy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 72.A OD1 no hydrogen 2.747 N/A VAL 3.A N LYS 70.A O no hydrogen 2.793 N/A GLY 5.A N HIS 73.A O no hydrogen 2.721 N/A ASP 6.A N ASN 48.A OD1 no hydrogen 2.671 N/A GLY 7.A N ASP 46.A OD2 no hydrogen 2.711 N/A LYS 8.A N ASP 6.A OD1 no hydrogen 3.044 N/A THR 10.A N VAL 45.A O no hydrogen 3.095 N/A THR 10.A OG1 HIS 50.A NE2 no hydrogen 3.038 N/A SER 11.A OG.A GLU 42.A OE2 no hydrogen 2.570 N/A SER 11.A OG.B THR 44.A OG1 no hydrogen 2.655 N/A LYS 12.A N VAL 43.A O no hydrogen 2.948 N/A ILE 14.A N VAL 41.A O no hydrogen 2.946 N/A VAL 16.A N SER 39.A O no hydrogen 3.126 N/A TYR 19.A OH THR 81.A OG1 no hydrogen 2.539 N/A ASN 20.A N ARG 60.A O no hydrogen 2.876 N/A ILE 22.A N ALA 88.A O no hydrogen 3.065 N/A LYS 23.A N LEU 62.A O no hydrogen 2.981 N/A VAL 24.A N LYS 90.A O.A no hydrogen 2.887 N/A VAL 24.A N LYS 90.A O.B no hydrogen 2.892 N/A GLY 26.A N ASP 25.A OD1 no hydrogen 3.166 N/A ASP 29.A N PHE 77.A O no hydrogen 2.905 N/A PHE 30.A N ASN 96.A O no hydrogen 2.858 N/A ASN 31.A N VAL 79.A O no hydrogen 2.793 N/A ASN 31.A ND2 VAL 79.A O no hydrogen 3.479 N/A TYR 32.A OH SER 83.A OG no hydrogen 2.950 N/A GLU 33.A N THR 81.A O no hydrogen 3.125 N/A GLN 34.A N SER 100.A OG no hydrogen 2.962 N/A GLN 34.A NE2 LYS 84.A O no hydrogen 2.729 N/A GLN 34.A NE2 THR 103.A O no hydrogen 2.961 N/A SER 35.A N SER 83.A O no hydrogen 2.901 N/A SER 39.A OG ASP 18.A OD1 no hydrogen 3.099 N/A SER 39.A OG ASN 82.A O no hydrogen 2.690 N/A THR 40.A N ASN 82.A OD1 no hydrogen 3.227 N/A THR 40.A OG1 ASN 82.A OD1 no hydrogen 3.540 N/A VAL 41.A N ILE 14.A O no hydrogen 2.899 N/A GLU 42.A N LYS 80.A O no hydrogen 2.865 N/A VAL 43.A N LYS 12.A O no hydrogen 2.817 N/A THR 44.A N ILE 78.A O no hydrogen 2.880 N/A THR 44.A OG1 SER 11.A OG.B no hydrogen 2.655 N/A VAL 45.A N THR 10.A O no hydrogen 3.149 N/A GLN 47.A N LYS 8.A O no hydrogen 2.842 N/A ASN 48.A ND2 LYS 4.A O no hydrogen 2.633 N/A LEU 49.A N ASP 46.A O no hydrogen 2.863 N/A HIS 50.A NE2 THR 10.A O no hydrogen 2.961 N/A HIS 50.A NE2 THR 10.A OG1 no hydrogen 3.038 N/A TYR 52.A N LEU 49.A O no hydrogen 2.970 N/A VAL 53.A N HIS 50.A O no hydrogen 3.057 N/A ASN 54.A N ALA 65.A O no hydrogen 2.694 N/A GLU 56.A N THR 63.A O no hydrogen 2.946 N/A LYS 58.A N VAL 61.A O no hydrogen 3.088 N/A VAL 61.A N LYS 58.A O no hydrogen 2.849 N/A LEU 62.A N GLU 21.A O no hydrogen 2.826 N/A THR 63.A N GLU 56.A O no hydrogen 2.952 N/A ALA 65.A N ASN 54.A O no hydrogen 3.140 N/A LYS 67.A N TYR 52.A O no hydrogen 2.649 N/A LYS 70.A N ASP 1.A O no hydrogen 2.687 N/A ASP 72.A N VAL 3.A O no hydrogen 2.742 N/A THR 75.A N ASP 46.A OD1 no hydrogen 2.819 N/A THR 75.A OG1 ASP 46.A OD1 no hydrogen 3.354 N/A THR 75.A OG1 ASP 46.A OD2 no hydrogen 2.809 N/A ILE 78.A N THR 44.A O no hydrogen 2.828 N/A VAL 79.A N ASP 29.A O no hydrogen 2.817 N/A LYS 80.A N GLU 42.A O no hydrogen 2.972 N/A THR 81.A N ASN 31.A O no hydrogen 3.009 N/A THR 81.A OG1 TYR 19.A OH no hydrogen 2.539 N/A THR 81.A OG1 THR 40.A O no hydrogen 2.771 N/A ASN 82.A ND2 SER 35.A OG no hydrogen 2.633 N/A ASN 82.A ND2 ASP 37.A O no hydrogen 3.035 N/A SER 83.A N GLU 33.A O no hydrogen 3.288 N/A SER 83.A OG TYR 19.A O no hydrogen 2.905 N/A SER 83.A OG TYR 32.A OH no hydrogen 2.950 N/A SER 83.A OG TRP 85.A O no hydrogen 2.820 N/A LYS 84.A N ASP 18.A OD1 no hydrogen 3.351 N/A ALA 87.A N ASN 20.A O no hydrogen 2.817 N/A ALA 88.A N ASN 20.A O no hydrogen 3.328 N/A ALA 89.A N VAL 108.A O no hydrogen 2.962 N/A LYS 90.A N.A ILE 22.A O no hydrogen 2.943 N/A LYS 90.A N.B ILE 22.A O no hydrogen 2.952 N/A LYS 90.A NZ.A SER 92.A OG.A no hydrogen 3.198 N/A LYS 90.A NZ.B ALA 89.A O no hydrogen 3.252 N/A VAL 91.A N LYS 110.A O no hydrogen 2.742 N/A SER 92.A N.A VAL 24.A O no hydrogen 2.786 N/A SER 92.A N.B VAL 24.A O no hydrogen 2.802 N/A SER 92.A OG.A VAL 24.A O no hydrogen 3.478 N/A SER 92.A OG.B ASN 112.A OD1 no hydrogen 2.537 N/A GLY 93.A N SER 92.A OG.B no hydrogen 2.742 N/A ALA 95.A N SER 92.A O.A no hydrogen 3.305 N/A ALA 95.A N SER 92.A O.B no hydrogen 3.270 N/A ASN 96.A N ILE 28.A O no hydrogen 2.987 N/A PHE 97.A N LEU 116.A O no hydrogen 2.867 N/A ASN 99.A N TYR 32.A O no hydrogen 2.907 N/A ASN 99.A ND2 ASN 31.A OD1 no hydrogen 2.822 N/A SER 100.A OG PRO 101.A O no hydrogen 2.683 N/A LEU 102.A N THR 122.A O no hydrogen 2.972 N/A THR 103.A N GLN 34.A OE1 no hydrogen 2.787 N/A GLY 104.A N THR 124.A O no hydrogen 3.227 N/A THR 107.A N LYS 127.A O no hydrogen 2.963 N/A THR 107.A OG1 LEU 86.A O no hydrogen 2.744 N/A VAL 108.A N ALA 87.A O no hydrogen 2.847 N/A ILE 109.A N ASP 129.A O no hydrogen 2.936 N/A LYS 110.A N ALA 89.A O no hydrogen 2.911 N/A ALA 111.A N ASN 131.A O.A no hydrogen 3.247 N/A ALA 111.A N ASN 131.A O.B no hydrogen 2.933 N/A ASN 112.A N VAL 91.A O no hydrogen 2.958 N/A ASN 114.A N GLY 93.A O no hydrogen 3.017 N/A SER 115.A N ASN 112.A O no hydrogen 3.055 N/A SER 115.A OG GLY 93.A O no hydrogen 3.206 N/A SER 115.A OG ASN 112.A O no hydrogen 2.805 N/A LEU 116.A N ALA 95.A O no hydrogen 3.015 N/A VAL 117.A N ASN 137.A O no hydrogen 2.896 N/A GLN 118.A N PHE 97.A O no hydrogen 2.807 N/A GLN 118.A NE2 ASN 96.A OD1 no hydrogen 3.023 N/A LEU 119.A N VAL 138.A O no hydrogen 2.984 N/A LYS 120.A N VAL 98.A O no hydrogen 3.133 N/A LYS 120.A NZ ASN 99.A OD1 no hydrogen 2.956 N/A THR 122.A OG1 HIS 141.A ND1 no hydrogen 2.840 N/A VAL 123.A N HIS 141.A O no hydrogen 2.831 N/A THR 124.A N LEU 102.A O no hydrogen 2.752 N/A VAL 125.A N GLU 143.A O no hydrogen 3.155 N/A GLY 126.A N GLY 104.A O no hydrogen 3.246 N/A LYS 127.A N ASP 105.A O no hydrogen 2.956 N/A LYS 127.A NZ GLU 148.A OE2 no hydrogen 2.666 N/A LEU 128.A N LYS 146.A O no hydrogen 3.053 N/A ASP 129.A N THR 107.A O no hydrogen 2.949 N/A LEU 130.A N GLU 148.A O no hydrogen 2.743 N/A ASN 131.A N.A ILE 109.A O no hydrogen 3.013 N/A ASN 131.A N.B ILE 109.A O no hydrogen 2.962 N/A ASN 131.A ND2.A ASP 129.A OD1 no hydrogen 3.171 N/A VAL 132.A N ASP 150.A O no hydrogen 2.940 N/A SER 133.A N ALA 111.A O no hydrogen 2.981 N/A SER 135.A N ALA 113.A O no hydrogen 2.741 N/A ALA 136.A N SER 133.A O no hydrogen 3.171 N/A ASN 137.A N SER 115.A O no hydrogen 2.935 N/A VAL 139.A N THR 158.A O no hydrogen 2.798 N/A ASN 140.A N LEU 119.A O no hydrogen 2.965 N/A ASN 140.A ND2 LYS 120.A O no hydrogen 2.799 N/A HIS 141.A ND1 THR 122.A OG1 no hydrogen 2.840 N/A HIS 141.A NE2 GLU 143.A OE2 no hydrogen 2.635 N/A LEU 142.A N LYS 161.A O no hydrogen 3.091 N/A GLU 143.A N VAL 123.A O no hydrogen 2.844 N/A ALA 144.A N ASN 163.A O no hydrogen 2.955 N/A ASP 145.A N GLY 126.A O no hydrogen 3.061 N/A LYS 146.A N GLY 126.A O no hydrogen 2.906 N/A LYS 146.A NZ GLU 148.A OE2 no hydrogen 3.076 N/A LYS 146.A NZ ASP 168.A OD2.A no hydrogen 2.937 N/A ILE 147.A N GLU 166.A O no hydrogen 3.023 N/A GLU 148.A N LEU 128.A O no hydrogen 2.934 N/A CYS 149.A N ASP 168.A O.A no hydrogen 3.045 N/A CYS 149.A N ASP 168.A O.B no hydrogen 3.066 N/A ASP 150.A N LEU 130.A O no hydrogen 2.889 N/A ILE 151.A N SER 170.A O no hydrogen 2.810 N/A ASP 152.A N VAL 132.A O no hydrogen 2.963 N/A SER 154.A N GLY 134.A O no hydrogen 2.935 N/A SER 156.A N ALA 136.A O no hydrogen 3.328 N/A ILE 157.A N ASP 176.A O no hydrogen 2.995 N/A ILE 159.A N HIS 178.A O no hydrogen 2.921 N/A LYS 160.A N VAL 139.A O no hydrogen 2.942 N/A LYS 160.A NZ ASN 140.A OD1 no hydrogen 3.289 N/A ASN 163.A N LEU 142.A O no hydrogen 2.933 N/A ASN 163.A ND2 GLU 143.A OE1 no hydrogen 2.705 N/A ASN 163.A ND2 GLU 143.A OE2 no hydrogen 3.476 N/A ALA 164.A N ALA 183.A O no hydrogen 3.122 N/A LYS 165.A N ALA 144.A O no hydrogen 3.093 N/A GLU 166.A N ASP 145.A O no hydrogen 2.961 N/A GLY 167.A N GLN 186.A O no hydrogen 2.964 N/A ASP 168.A N.A ILE 147.A O no hydrogen 2.992 N/A ASP 168.A N.B ILE 147.A O no hydrogen 3.016 N/A TYR 169.A N SER 188.A O no hydrogen 2.793 N/A SER 170.A N CYS 149.A O no hydrogen 2.770 N/A ILE 171.A N LYS 190.A O no hydrogen 2.882 N/A VAL 172.A N ILE 151.A O no hydrogen 2.886 N/A ASP 176.A N GLY 155.A O no hydrogen 3.057 N/A ILE 177.A N LEU 196.A O no hydrogen 2.942 N/A HIS 178.A N ILE 157.A O no hydrogen 2.828 N/A HIS 178.A ND1 GLU 198.A OE1 no hydrogen 2.762 N/A ALA 179.A N GLU 198.A O no hydrogen 2.758 N/A LEU 182.A N ALA 179.A O no hydrogen 3.292 N/A ALA 183.A N GLY 162.A O no hydrogen 3.178 N/A VAL 184.A N HIS 200.A O no hydrogen 2.921 N/A GLN 186.A N LYS 165.A O no hydrogen 3.400 N/A GLN 186.A NE2 ASP 203.A OD2 no hydrogen 2.700 N/A LEU 187.A N ASN 204.A O no hydrogen 3.007 N/A SER 188.A N GLY 167.A O no hydrogen 2.950 N/A SER 188.A OG ASP 168.A OD1.A no hydrogen 2.701 N/A SER 188.A OG ASP 168.A OD1.B no hydrogen 3.128 N/A CYS 189.A N LYS 206.A O no hydrogen 2.939 N/A LYS 190.A N TYR 169.A O no hydrogen 2.928 N/A VAL 191.A N ASN 208.A O no hydrogen 2.771 N/A THR 192.A N ILE 171.A O no hydrogen 2.741 N/A LEU 196.A N GLY 175.A O no hydrogen 3.262 N/A LEU 196.A N ASP 176.A OD1 no hydrogen 3.388 N/A ALA 197.A N ASN 214.A O no hydrogen 2.949 N/A GLU 198.A N ILE 177.A O no hydrogen 2.839 N/A VAL 199.A N ARG 216.A O no hydrogen 2.863 N/A ALA 201.A N LYS 218.A O no hydrogen 3.298 N/A THR 202.A N VAL 184.A O no hydrogen 3.042 N/A ASN 204.A N PRO 185.A O no hydrogen 2.875 N/A LEU 205.A N ALA 222.A O no hydrogen 2.722 N/A LYS 206.A N LEU 187.A O no hydrogen 2.909 N/A ALA 207.A N GLN 224.A O no hydrogen 2.754 N/A ASN 208.A N CYS 189.A O no hydrogen 2.970 N/A VAL 209.A N ARG 226.A O no hydrogen 2.956 N/A VAL 210.A N VAL 191.A O no hydrogen 2.952 N/A GLY 211.A N ILE 228.A O no hydrogen 2.837 N/A ASN 214.A N GLY 195.A O no hydrogen 3.018 N/A ASN 214.A ND2 THR 232.A OG1 no hydrogen 2.427 N/A ILE 215.A N THR 232.A O no hydrogen 2.903 N/A ARG 216.A N ALA 197.A O no hydrogen 2.833 N/A ARG 216.A NH1 ILE 215.A O no hydrogen 3.073 N/A ARG 216.A NH1 THR 232.A OG1 no hydrogen 2.766 N/A ARG 216.A NH2 THR 232.A OG1 no hydrogen 3.082 N/A TYR 217.A N GLU 234.A O no hydrogen 3.178 N/A LYS 218.A N VAL 199.A O no hydrogen 2.928 N/A THR 221.A OG1 ALA 222.A O no hydrogen 2.927 N/A ALA 222.A N ASP 203.A O no hydrogen 2.986 N/A GLN 224.A N LEU 205.A O no hydrogen 2.810 N/A ARG 226.A N ALA 207.A O no hydrogen 2.906 N/A ILE 228.A N VAL 209.A O no hydrogen 2.881 N/A GLY 231.A N GLY 211.A O no hydrogen 2.766 N/A THR 232.A N GLY 213.A O no hydrogen 3.230 N/A GLU 234.A N ILE 215.A O no hydrogen 2.910 N/A VAL 236.A N TYR 217.A O no hydrogen 2.787 N/A