Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lyp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N VAL 51.A O no hydrogen 2.782 N/A CYS 4.A N GLU 28.A O no hydrogen 2.724 N/A CYS 4.A SG TYR 5.A O no hydrogen 3.682 N/A CYS 4.A SG THR 49.A O no hydrogen 3.899 N/A TYR 5.A N THR 49.A O no hydrogen 2.784 N/A SER 6.A N ILE 30.A O no hydrogen 2.925 N/A ASP 7.A N SER 13.A OG no hydrogen 2.927 N/A ALA 9.A N ASP 7.A OD2 no hydrogen 2.907 N/A ASP 10.A N ASP 7.A O no hydrogen 3.166 N/A HIS 11.A NE2 ASP 101.A OD1 no hydrogen 2.878 N/A TYR 12.A N ASP 10.A OD2 no hydrogen 2.921 N/A TYR 12.A OH ASP 101.A OD2 no hydrogen 2.617 N/A HIS 14.A N ASP 10.A O no hydrogen 2.966 N/A HIS 14.A NE2 SER 185.A OG no hydrogen 2.967 N/A ARG 15.A N HIS 11.A O no hydrogen 3.009 N/A ARG 15.A NH1 SER 59.A OG no hydrogen 2.931 N/A ARG 15.A NH2 GLN 93.A OE1 no hydrogen 2.995 N/A ARG 17.A N SER 13.A O no hydrogen 2.974 N/A ARG 17.A NE SER 6.A OG no hydrogen 2.770 N/A ARG 17.A NH1 SER 185.A O no hydrogen 2.802 N/A ARG 17.A NH1 GLU 190.A OE1 no hydrogen 2.714 N/A ARG 17.A NH1 GLU 190.A OE2 no hydrogen 3.374 N/A ARG 17.A NH2 ASP 7.A O no hydrogen 3.203 N/A ARG 17.A NH2 GLU 190.A OE2 no hydrogen 2.876 N/A ILE 18.A N HIS 14.A O no hydrogen 2.938 N/A VAL 19.A N ARG 15.A O no hydrogen 3.159 N/A LEU 20.A N VAL 16.A O no hydrogen 2.828 N/A ALA 21.A N ARG 17.A O no hydrogen 3.095 N/A GLU 22.A N ILE 18.A O no hydrogen 2.809 N/A LYS 23.A N VAL 19.A O no hydrogen 2.955 N/A LYS 23.A NZ ASP 66.A OD1 no hydrogen 2.797 N/A LYS 23.A NZ TYR 69.A O no hydrogen 2.732 N/A LYS 23.A NZ PRO 72.A O no hydrogen 2.707 N/A GLY 24.A N ALA 21.A O no hydrogen 3.202 N/A VAL 25.A N LEU 20.A O no hydrogen 3.493 N/A GLU 28.A N LEU 2.A O no hydrogen 2.939 N/A ILE 30.A N CYS 4.A O no hydrogen 2.795 N/A VAL 32.A N SER 6.A O no hydrogen 2.824 N/A GLN 34.A NE2 GLY 45.A O no hydrogen 3.481 N/A LYS 37.A NZ GLU 40.A OE2 no hydrogen 3.498 N/A ILE 39.A N PRO 35.A O no hydrogen 3.065 N/A GLU 40.A N PRO 36.A O no hydrogen 2.778 N/A VAL 41.A N LYS 37.A O no hydrogen 3.250 N/A VAL 41.A N LEU 38.A O no hydrogen 3.238 N/A ASN 42.A N LEU 38.A O no hydrogen 2.759 N/A ASN 42.A ND2 SER 46.A OG no hydrogen 3.097 N/A ASN 42.A ND2 THR 49.A OG1 no hydrogen 2.915 N/A TYR 44.A N ASN 42.A OD1 no hydrogen 2.973 N/A GLY 45.A N ASN 42.A O no hydrogen 2.858 N/A THR 49.A N TYR 5.A O no hydrogen 2.968 N/A THR 49.A OG1 SER 46.A O no hydrogen 2.698 N/A LEU 50.A N LEU 56.A O no hydrogen 2.733 N/A VAL 51.A N ALA 3.A O no hydrogen 2.839 N/A ASP 52.A N LEU 54.A O no hydrogen 3.172 N/A LEU 56.A N LEU 50.A O no hydrogen 2.873 N/A THR 60.A N GLU 58.A OE2.A no hydrogen 3.319 N/A THR 60.A N GLU 58.A OE2.B no hydrogen 3.052 N/A THR 60.A OG1 GLU 58.A OE1.A no hydrogen 2.283 N/A THR 60.A OG1 GLU 58.A OE2.A no hydrogen 3.174 N/A THR 60.A OG1 GLU 58.A OE2.B no hydrogen 3.324 N/A VAL 61.A N GLU 58.A OE1.A no hydrogen 2.990 N/A VAL 62.A N GLU 58.A O.A no hydrogen 3.033 N/A VAL 62.A N GLU 58.A O.B no hydrogen 3.012 N/A TYR 64.A N VAL 61.A O no hydrogen 2.957 N/A LEU 65.A N VAL 62.A O no hydrogen 2.978 N/A GLU 67.A N GLU 63.A O.A no hydrogen 2.962 N/A GLU 67.A N GLU 63.A O.B no hydrogen 3.068 N/A ARG 68.A N TYR 64.A O no hydrogen 2.762 N/A ARG 68.A NH2 ARG 68.A O no hydrogen 2.994 N/A TYR 69.A N LEU 65.A O no hydrogen 2.976 N/A LEU 74.A N ASP 66.A OD1 no hydrogen 2.870 N/A ARG 82.A N TYR 78.A O no hydrogen 3.001 N/A ARG 82.A NH1 PRO 76.A O no hydrogen 3.235 N/A ALA 83.A N PRO 79.A O no hydrogen 2.880 N/A ASN 84.A N VAL 80.A O no hydrogen 2.873 N/A SER 85.A N ALA 81.A O no hydrogen 2.974 N/A SER 85.A OG ALA 81.A O no hydrogen 3.190 N/A ARG 86.A N ARG 82.A O no hydrogen 2.890 N/A ARG 86.A NE GLU 63.A OE2.A no hydrogen 3.047 N/A ARG 86.A NH2 GLU 63.A OE1.A no hydrogen 3.282 N/A ARG 86.A NH2 GLU 63.A OE2.B no hydrogen 2.773 N/A LEU 87.A N ALA 83.A O no hydrogen 2.806 N/A LEU 88.A N ASN 84.A O no hydrogen 2.923 N/A ILE 89.A N SER 85.A O no hydrogen 3.030 N/A HIS 90.A N ARG 86.A O no hydrogen 2.994 N/A ARG 91.A N LEU 87.A O no hydrogen 2.907 N/A ILE 92.A N LEU 88.A O no hydrogen 2.837 N/A GLN 93.A N ILE 89.A O no hydrogen 2.942 N/A GLN 93.A NE2 TYR 12.A OH no hydrogen 2.892 N/A ARG 94.A N HIS 90.A O no hydrogen 2.863 N/A ARG 94.A NH2 ASP 95.A OD1 no hydrogen 2.796 N/A ASP 95.A N ARG 91.A O no hydrogen 2.899 N/A TRP 96.A N ILE 92.A O no hydrogen 2.919 N/A TRP 96.A NE1 SER 123.A OG no hydrogen 2.776 N/A CYS 97.A N ILE 92.A O no hydrogen 2.839 N/A CYS 97.A SG ILE 92.A O no hydrogen 3.674 N/A CYS 97.A SG GLN 93.A OE1 no hydrogen 3.973 N/A GLY 98.A N GLN 93.A O no hydrogen 3.078 N/A GLN 99.A NE2 GLU 119.A OE1 no hydrogen 2.936 N/A VAL 100.A N TRP 96.A O no hydrogen 3.014 N/A ASP 101.A N CYS 97.A O no hydrogen 2.879 N/A LEU 102.A N.A GLY 98.A O no hydrogen 3.054 N/A LEU 102.A N.B GLY 98.A O no hydrogen 3.048 N/A ILE 103.A N GLN 99.A O no hydrogen 2.956 N/A LEU 104.A N VAL 100.A O no hydrogen 3.021 N/A ASP 105.A N ASP 101.A O no hydrogen 2.925 N/A ASP 105.A N LEU 102.A O.B no hydrogen 3.354 N/A ARG 107.A N ASP 105.A OD2 no hydrogen 2.798 N/A ARG 107.A NE ASP 105.A OD2 no hydrogen 2.880 N/A ARG 107.A NH2 ASP 105.A OD1 no hydrogen 2.806 N/A THR 108.A N ASP 105.A O no hydrogen 3.161 N/A THR 108.A OG1 LEU 102.A O.A no hydrogen 2.735 N/A THR 108.A OG1 LEU 102.A O.B no hydrogen 2.744 N/A THR 108.A OG1 ASP 105.A O no hydrogen 3.519 N/A ARG 113.A N LYS 109.A O no hydrogen 2.977 N/A ARG 113.A NE ILE 103.A O no hydrogen 2.991 N/A ARG 113.A NH1 GLU 110.A OE2 no hydrogen 3.205 N/A ARG 113.A NH2 ASP 105.A O no hydrogen 2.927 N/A VAL 114.A N GLU 110.A O no hydrogen 2.962 N/A GLN 115.A N ALA 111.A O no hydrogen 3.084 N/A GLN 115.A NE2 GLU 119.A OE2 no hydrogen 2.684 N/A ALA 116.A N ALA 112.A O no hydrogen 2.943 N/A ARG 117.A N ARG 113.A O no hydrogen 2.891 N/A ARG 117.A NE LEU 159.A O no hydrogen 2.773 N/A ARG 117.A NH1 GLU 110.A OE1 no hydrogen 2.942 N/A LYS 118.A N VAL 114.A O no hydrogen 3.063 N/A LYS 118.A NZ GLU 122.A OE1 no hydrogen 3.507 N/A LYS 118.A NZ GLU 122.A OE2 no hydrogen 3.100 N/A GLU 119.A N GLN 115.A O no hydrogen 2.983 N/A LEU 120.A N ALA 116.A O no hydrogen 2.959 N/A ARG 121.A N ARG 117.A O no hydrogen 2.872 N/A GLU 122.A N LYS 118.A O no hydrogen 2.887 N/A SER 123.A N GLU 119.A O no hydrogen 2.933 N/A LEU 124.A N LEU 120.A O no hydrogen 2.900 N/A THR 125.A N ARG 121.A O no hydrogen 2.959 N/A THR 125.A OG1 ARG 121.A O no hydrogen 2.724 N/A GLY 126.A N GLU 122.A O no hydrogen 2.858 N/A VAL 127.A N.A SER 123.A O no hydrogen 3.137 N/A VAL 127.A N.B SER 123.A O no hydrogen 3.137 N/A SER 128.A N.A THR 125.A O no hydrogen 3.198 N/A SER 128.A N.B THR 125.A O no hydrogen 3.332 N/A SER 128.A OG.A THR 125.A O no hydrogen 2.557 N/A LEU 130.A N VAL 127.A O.A no hydrogen 2.932 N/A LEU 130.A N VAL 127.A O.B no hydrogen 2.867 N/A PHE 131.A N SER 128.A O.A no hydrogen 2.972 N/A PHE 131.A N SER 128.A O.B no hydrogen 2.846 N/A ALA 132.A N PRO 129.A O no hydrogen 3.104 N/A ASP 133.A N LEU 130.A O no hydrogen 3.392 N/A PHE 136.A N SER 139.A O no hydrogen 3.052 N/A PHE 137.A N ASP 146.A OD1 no hydrogen 2.968 N/A SER 139.A N PHE 136.A O no hydrogen 3.308 N/A SER 139.A OG GLU 141.A O no hydrogen 2.646 N/A GLU 141.A N SER 139.A OG no hydrogen 3.112 N/A GLN 142.A NE2 GLU 22.A OE2 no hydrogen 2.871 N/A SER 143.A N ASP 146.A OD2 no hydrogen 2.872 N/A LEU 144.A N LEU 74.A O no hydrogen 2.743 N/A VAL 145.A N SER 143.A OG no hydrogen 3.035 N/A CYS 147.A N SER 143.A O no hydrogen 3.101 N/A CYS 147.A SG SER 143.A O no hydrogen 3.507 N/A CYS 148.A N LEU 144.A O no hydrogen 3.082 N/A CYS 148.A N VAL 145.A O no hydrogen 3.124 N/A CYS 148.A SG LEU 144.A O no hydrogen 3.547 N/A LEU 149.A N VAL 145.A O no hydrogen 2.994 N/A LEU 150.A N ASP 146.A O no hydrogen 2.836 N/A LEU 153.A N LEU 149.A O no hydrogen 3.034 N/A TRP 154.A N LEU 150.A O no hydrogen 2.822 N/A TRP 154.A NE1 GLU 190.A O no hydrogen 2.867 N/A ARG 155.A N ILE 152.A O no hydrogen 3.008 N/A ARG 155.A NH1 HIS 14.A ND1 no hydrogen 3.003 N/A ARG 155.A NH1 PRO 151.A O no hydrogen 2.977 N/A ARG 155.A NH2 ALA 9.A O no hydrogen 2.976 N/A ARG 155.A NH2 GLU 190.A OE2 no hydrogen 2.713 N/A LEU 156.A N LEU 153.A O no hydrogen 3.238 N/A LEU 159.A N ARG 155.A O no hydrogen 2.899 N/A GLY 160.A N PRO 157.A O no hydrogen 3.026 N/A ILE 161.A N LEU 156.A O no hydrogen 2.977 N/A ALA 167.A N PRO 164.A O no hydrogen 2.872 N/A LYS 168.A N ARG 165.A O no hydrogen 2.984 N/A LYS 168.A NZ ASP 172.A OD1 no hydrogen 3.082 N/A LYS 168.A NZ ASP 172.A OD2 no hydrogen 2.910 N/A LEU 170.A N ALA 167.A O no hydrogen 2.944 N/A LEU 171.A N ALA 167.A O no hydrogen 3.053 N/A ASP 172.A N LYS 168.A O no hydrogen 2.733 N/A TYR 173.A N PRO 169.A O no hydrogen 2.995 N/A TYR 173.A OH ASP 146.A OD1 no hydrogen 2.562 N/A ARG 175.A N ASP 172.A O no hydrogen 3.091 N/A ARG 175.A NH1 PRO 135.A O no hydrogen 2.868 N/A GLN 176.A N TYR 173.A O no hydrogen 2.846 N/A GLN 176.A NE2 GLN 142.A OE1 no hydrogen 2.828 N/A GLN 176.A NE2 TYR 173.A OH no hydrogen 3.229 N/A ARG 179.A N GLN 176.A O no hydrogen 3.146 N/A ARG 179.A NH1 GLU 22.A OE1 no hydrogen 3.156 N/A ARG 179.A NH2 GLU 22.A OE2 no hydrogen 2.608 N/A GLN 183.A N ARG 179.A O no hydrogen 2.990 N/A GLN 183.A NE2 PHE 177.A O no hydrogen 2.885 N/A ALA 184.A N GLU 180.A O no hydrogen 2.904 N/A SER 185.A N ALA 181.A O no hydrogen 3.036 N/A SER 185.A N PHE 182.A O no hydrogen 3.032 N/A SER 185.A OG HIS 14.A NE2 no hydrogen 2.967 N/A SER 185.A OG PHE 182.A O no hydrogen 2.656 N/A LEU 186.A N GLN 183.A O no hydrogen 3.284 N/A SER 187.A N GLU 190.A OE1 no hydrogen 2.903 N/A SER 187.A OG PRO 8.A O no hydrogen 2.664 N/A GLU 190.A N SER 187.A OG no hydrogen 2.998 N/A ARG 191.A N SER 187.A O no hydrogen 2.889 N/A ARG 191.A NH1 GLN 183.A OE1 no hydrogen 3.028 N/A ARG 191.A NH2 GLN 183.A OE1 no hydrogen 2.934 N/A ASP 192.A N GLY 188.A O no hydrogen 3.040 N/A ARG 193.A NE TRP 154.A O no hydrogen 2.884 N/A ARG 193.A NH2 LEU 153.A O no hydrogen 2.978 N/A ARG 193.A NH2 TRP 154.A O no hydrogen 3.560 N/A