Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2j1g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 7.A OD2 no hydrogen 3.152 N/A ARG 3.A NE TYR 22.A O no hydrogen 2.903 N/A ARG 3.A NH2 LEU 23.A O no hydrogen 3.461 N/A CYS 5.A SG LEU 32.A O no hydrogen 3.963 N/A CYS 5.A SG TRP 42.A O no hydrogen 3.661 N/A CYS 5.A SG THR 43.A OG1 no hydrogen 3.315 N/A LYS 6.A NZ ASP 10.A OD1 no hydrogen 3.338 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.085 N/A LEU 8.A N THR 4.A O no hydrogen 3.328 N/A LEU 9.A N CYS 5.A O no hydrogen 2.931 N/A ASP 10.A N LYS 6.A O no hydrogen 3.019 N/A ARG 11.A N ASP 7.A O no hydrogen 3.034 N/A ARG 11.A N LEU 8.A O no hydrogen 3.062 N/A GLY 12.A N LEU 9.A O no hydrogen 2.987 N/A HIS 13.A N LEU 8.A O no hydrogen 3.138 N/A HIS 13.A ND1 LEU 8.A O no hydrogen 3.030 N/A GLY 17.A N CYS 33.A O no hydrogen 3.125 N/A TRP 18.A NE1 ARG 69.A O no hydrogen 3.014 N/A HIS 19.A N VAL 31.A O no hydrogen 2.803 N/A HIS 19.A ND1 GLY 17.A O no hydrogen 2.960 N/A ILE 21.A N LEU 29.A O no hydrogen 2.784 N/A TYR 22.A N PRO 2.A O no hydrogen 2.906 N/A LEU 23.A N ARG 27.A O no hydrogen 3.007 N/A CYS 26.A N LEU 23.A O no hydrogen 2.547 N/A ARG 27.A NH1 ASN 79.A OD1 no hydrogen 3.201 N/A ARG 27.A NH2 ASN 79.A OD1 no hydrogen 2.649 N/A LEU 29.A N ILE 21.A O no hydrogen 2.873 N/A VAL 31.A N HIS 19.A O no hydrogen 2.688 N/A CYS 33.A N GLY 17.A O no hydrogen 2.918 N/A CYS 33.A SG HIS 19.A ND1 no hydrogen 3.755 N/A ASP 34.A N TRP 42.A O no hydrogen 2.874 N/A MET 35.A N SER 16.A OG no hydrogen 2.818 N/A ASP 36.A N ASP 34.A OD1 no hydrogen 2.901 N/A THR 37.A N ASP 34.A OD1 no hydrogen 2.875 N/A THR 37.A OG1 ASP 34.A OD1 no hydrogen 3.350 N/A THR 37.A OG1 ASP 34.A OD2 no hydrogen 2.616 N/A GLY 40.A N THR 37.A O no hydrogen 2.781 N/A GLY 41.A N ASP 34.A O no hydrogen 2.881 N/A TRP 42.A N ASP 34.A O no hydrogen 3.099 N/A TRP 42.A NE1 THR 37.A O no hydrogen 2.968 N/A THR 43.A N VAL 195.A O no hydrogen 2.745 N/A VAL 44.A N LEU 32.A O no hydrogen 2.895 N/A PHE 45.A N MET 193.A O no hydrogen 2.884 N/A GLN 46.A N MET 193.A O no hydrogen 3.359 N/A GLN 46.A NE2 ASN 161.A OD1 no hydrogen 3.305 N/A ARG 47.A N PHE 73.A O no hydrogen 3.129 N/A ARG 47.A NE GLY 71.A O no hydrogen 2.878 N/A ARG 48.A N SER 191.A O no hydrogen 2.820 N/A ARG 48.A NH1 LEU 160.A O no hydrogen 2.893 N/A ARG 48.A NH1 GLY 162.A O no hydrogen 2.636 N/A ARG 48.A NH2 GLY 162.A O no hydrogen 2.825 N/A VAL 49.A N GLU 72.A OE2 no hydrogen 2.673 N/A ASP 50.A N GLU 72.A OE2 no hydrogen 2.787 N/A GLY 51.A N GLU 72.A OE2 no hydrogen 2.670 N/A SER 52.A N ASP 50.A OD1 no hydrogen 3.095 N/A SER 52.A OG ASP 50.A OD1 no hydrogen 2.564 N/A VAL 53.A N GLU 72.A OE1 no hydrogen 3.146 N/A TYR 56.A N ASP 54.A OD1 no hydrogen 2.901 N/A ARG 57.A NE ASP 54.A O no hydrogen 2.341 N/A ARG 57.A NH2 ASP 54.A O no hydrogen 3.157 N/A TRP 59.A N ASP 135.A OD1 no hydrogen 2.980 N/A TRP 59.A NE1 GLU 109.A OE2 no hydrogen 2.501 N/A THR 61.A N ASP 58.A OD1 no hydrogen 3.102 N/A THR 61.A OG1 ASP 58.A OD1 no hydrogen 2.666 N/A TYR 62.A N ASP 58.A O no hydrogen 3.210 N/A TYR 62.A OH PHE 55.A O no hydrogen 2.509 N/A LYS 63.A N TRP 59.A O no hydrogen 2.856 N/A GLN 64.A N ALA 60.A O no hydrogen 3.125 N/A GLY 65.A N THR 61.A O no hydrogen 2.859 N/A PHE 66.A N TRP 74.A O no hydrogen 3.047 N/A SER 68.A N GLU 72.A O no hydrogen 2.722 N/A LEU 70.A N SER 68.A OG no hydrogen 3.061 N/A GLY 71.A N SER 68.A O no hydrogen 3.245 N/A PHE 73.A N ARG 47.A O no hydrogen 3.205 N/A TRP 74.A N PHE 66.A O no hydrogen 2.894 N/A TRP 74.A NE1 ASN 77.A OD1 no hydrogen 3.049 N/A LEU 75.A N PHE 45.A O no hydrogen 2.830 N/A ASN 77.A N TYR 62.A O no hydrogen 2.736 N/A ASP 78.A N LYS 63.A O no hydrogen 3.055 N/A ASN 79.A ND2 LEU 75.A O no hydrogen 3.052 N/A ILE 80.A N GLY 76.A O no hydrogen 2.847 N/A HIS 81.A N ASN 77.A O no hydrogen 3.147 N/A ALA 82.A N ASP 78.A O no hydrogen 3.172 N/A LEU 83.A N ASN 79.A O no hydrogen 2.987 N/A LEU 85.A N.A TYR 101.A O.A no hydrogen 3.066 N/A LEU 85.A N.A TYR 101.A O.B no hydrogen 3.286 N/A LEU 85.A N.B TYR 101.A O.A no hydrogen 3.065 N/A LEU 85.A N.B TYR 101.A O.B no hydrogen 3.285 N/A ARG 86.A N LYS 194.A O no hydrogen 2.970 N/A ARG 86.A NE ASP 88.A OD1 no hydrogen 3.284 N/A ARG 86.A NE ASP 88.A OD2 no hydrogen 2.671 N/A ASP 88.A N GLU 192.A O no hydrogen 2.877 N/A LEU 89.A N GLN 97.A O no hydrogen 2.847 N/A VAL 90.A N VAL 190.A O no hydrogen 3.049 N/A ASP 91.A N.A ASN 95.A O no hydrogen 3.246 N/A ASP 91.A N.B ASN 95.A O no hydrogen 3.243 N/A PHE 92.A N TYR 186.A OH no hydrogen 3.045 N/A GLU 93.A N ASP 91.A OD1.A no hydrogen 3.065 N/A ASP 94.A N ASP 91.A O.A no hydrogen 2.742 N/A ASP 94.A N ASP 91.A O.B no hydrogen 3.328 N/A ASN 95.A N ASP 91.A OD1.A no hydrogen 2.725 N/A ASN 95.A ND2 ASP 91.A OD2.A no hydrogen 3.322 N/A GLN 97.A N LEU 89.A O no hydrogen 2.812 N/A PHE 98.A N SER 124.A OG no hydrogen 3.307 N/A ALA 99.A N THR 87.A O no hydrogen 2.863 N/A LYS 100.A NZ ASP 38.A OD1 no hydrogen 3.483 N/A TYR 101.A N.A LEU 85.A O.A no hydrogen 2.721 N/A TYR 101.A N.A LEU 85.A O.B no hydrogen 2.730 N/A TYR 101.A N.B LEU 85.A O.A no hydrogen 2.715 N/A TYR 101.A N.B LEU 85.A O.B no hydrogen 2.723 N/A TYR 101.A OH.A ASP 127.A OD1 no hydrogen 3.082 N/A TYR 101.A OH.B THR 130.A OG1 no hydrogen 3.006 N/A ARG 102.A N ALA 119.A O no hydrogen 2.893 N/A ARG 102.A NE ARG 102.A O no hydrogen 2.393 N/A ARG 102.A NH2 ARG 102.A O no hydrogen 3.287 N/A ALA 107.A N ASN 114.A O no hydrogen 3.092 N/A GLU 111.A N ASP 108.A OD1 no hydrogen 3.162 N/A LYS 112.A N GLU 109.A O no hydrogen 2.815 N/A TYR 113.A N ASP 108.A O no hydrogen 2.899 N/A TYR 113.A OH ASP 78.A OD1 no hydrogen 2.589 N/A ASN 114.A N GLU 111.A O no hydrogen 3.395 N/A VAL 116.A N LYS 105.A O no hydrogen 2.768 N/A VAL 121.A N LYS 100.A O no hydrogen 2.820 N/A ALA 125.A N PHE 98.A O no hydrogen 2.840 N/A GLY 126.A N GLY 123.A O no hydrogen 2.976 N/A SER 128.A OG SER 180.A OG no hydrogen 2.632 N/A LEU 129.A N ASP 127.A OD1 no hydrogen 3.032 N/A THR 130.A N ASP 127.A OD1 no hydrogen 3.177 N/A THR 130.A OG1 TYR 101.A OH.B no hydrogen 3.006 N/A THR 130.A OG1 ASP 127.A OD1 no hydrogen 3.036 N/A THR 130.A OG1 ASP 127.A OD2 no hydrogen 2.549 N/A SER 132.A N TRP 153.A O no hydrogen 2.984 N/A THR 133.A OG1 ASP 135.A OD1 no hydrogen 2.771 N/A LYS 134.A NZ TYR 56.A O no hydrogen 2.975 N/A GLN 136.A N THR 133.A O no hydrogen 2.872 N/A ASN 138.A ND2 PHE 131.A O no hydrogen 3.313 N/A THR 142.A OG1 ASN 141.A O no hydrogen 2.493 N/A CYS 145.A SG ASP 139.A OD1 no hydrogen 3.359 N/A PHE 149.A N CYS 145.A O no hydrogen 2.742 N/A GLY 151.A N ALA 146.A O no hydrogen 3.189 N/A TRP 154.A NE1 TYR 113.A O no hydrogen 3.253 N/A TYR 155.A OH ASN 159.A OD1 no hydrogen 2.995 N/A THR 157.A OG1 SER 128.A O no hydrogen 2.963 N/A SER 158.A OG SER 128.A O no hydrogen 2.996 N/A ASN 159.A N ASN 177.A O no hydrogen 2.992 N/A ASN 159.A ND2 PHE 149.A O no hydrogen 3.337 N/A ASN 159.A ND2 GLY 175.A O no hydrogen 3.249 N/A ASN 161.A ND2 ALA 152.A O no hydrogen 2.747 N/A GLY 162.A N ASN 159.A O no hydrogen 2.973 N/A ARG 163.A N ASN 174.A O no hydrogen 3.032 N/A TYR 164.A OH LYS 189.A O no hydrogen 2.616 N/A LEU 165.A N SER 187.A OG no hydrogen 3.298 N/A ARG 166.A NH2 ASP 50.A O no hydrogen 3.254 N/A GLY 167.A N SER 187.A O no hydrogen 2.889 N/A HIS 169.A N ASN 185.A O no hydrogen 2.810 N/A HIS 169.A ND1 SER 171.A O no hydrogen 2.772 N/A HIS 169.A NE2 ASN 177.A OD1 no hydrogen 3.277 N/A SER 171.A OG HIS 169.A ND1 no hydrogen 3.171 N/A SER 171.A OG ASN 174.A OD1 no hydrogen 2.479 N/A ALA 173.A N TYR 184.A O no hydrogen 2.884 N/A ASN 174.A ND2 GLN 150.A OE1 no hydrogen 2.818 N/A ILE 176.A N SER 187.A OG no hydrogen 3.326 N/A TRP 178.A NE1 GLY 126.A O no hydrogen 2.966 N/A LYS 179.A N THR 157.A O no hydrogen 2.925 N/A SER 180.A N SER 128.A OG no hydrogen 2.886 N/A SER 180.A OG ALA 125.A O no hydrogen 3.021 N/A SER 180.A OG SER 128.A OG no hydrogen 2.632 N/A GLY 181.A N TRP 178.A O no hydrogen 2.646 N/A LYS 182.A N TRP 178.A O no hydrogen 3.203 N/A GLY 183.A N TRP 178.A O no hydrogen 3.424 N/A SER 187.A N GLY 167.A O no hydrogen 2.873 N/A SER 187.A OG ARG 163.A O no hydrogen 3.452 N/A TYR 188.A N ILE 176.A O no hydrogen 3.171 N/A LYS 189.A N VAL 90.A O no hydrogen 2.858 N/A VAL 190.A N VAL 90.A O no hydrogen 3.133 N/A SER 191.A N ARG 48.A O no hydrogen 2.967 N/A SER 191.A OG GLN 46.A OE1 no hydrogen 3.136 N/A GLU 192.A N ASP 88.A O no hydrogen 3.033 N/A MET 193.A N GLN 46.A O no hydrogen 3.084 N/A LYS 194.A N ARG 86.A O no hydrogen 2.989 N/A LYS 194.A NZ ASP 34.A OD2 no hydrogen 2.891 N/A LYS 194.A NZ ASP 88.A OD1 no hydrogen 2.618 N/A LYS 194.A NZ GLU 192.A OE1 no hydrogen 2.556 N/A VAL 195.A N THR 43.A O no hydrogen 2.848 N/A ARG 196.A N GLU 84.A O no hydrogen 3.273 N/A ARG 196.A NE GLU 84.A OE2 no hydrogen 3.215 N/A ARG 196.A NH1 ASP 38.A O no hydrogen 2.866 N/A ARG 196.A NH1 GLY 40.A O no hydrogen 3.051 N/A ARG 196.A NH2 GLU 84.A OE2 no hydrogen 3.509 N/A