Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e6j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG PRO 4.A O no hydrogen 3.859 N/A SER 5.A OG.B GLN 6.A OE1 no hydrogen 2.899 N/A CYS 7.A N PRO 4.A O no hydrogen 3.201 N/A CYS 7.A SG SER 5.A O no hydrogen 3.711 N/A CYS 7.A SG HIS 21.A NE2 no hydrogen 3.749 N/A SER 8.A N ASP 15.A O no hydrogen 2.907 N/A SER 8.A OG.A ASP 15.A O no hydrogen 3.521 N/A CYS 9.A SG ALA 2.A O no hydrogen 3.634 N/A SER 10.A N THR 13.A O no hydrogen 3.048 N/A THR 13.A N SER 10.A O no hydrogen 2.870 N/A VAL 14.A N ILE 34.A O no hydrogen 2.928 N/A ASP 15.A N SER 8.A O no hydrogen 2.801 N/A CYS 16.A N TYR 36.A O no hydrogen 2.756 N/A ARG 17.A N ASP 15.A OD1 no hydrogen 3.103 N/A ARG 17.A NE ASP 15.A OD1 no hydrogen 2.922 N/A ARG 17.A NE ASP 15.A OD2 no hydrogen 3.148 N/A SER 18.A N HIS 38.A O no hydrogen 3.145 N/A SER 18.A OG ASP 39.A OD2 no hydrogen 2.650 N/A LYS 19.A N ASN 40.A OD1 no hydrogen 2.977 N/A HIS 21.A N ASN 40.A OD1 no hydrogen 2.994 N/A HIS 21.A NE2 GLN 6.A O no hydrogen 2.880 N/A ALA 32.A N PRO 29.A O no hydrogen 3.078 N/A GLN 33.A N THR 12.A O no hydrogen 2.787 N/A ILE 34.A N THR 12.A O no hydrogen 3.260 N/A LEU 35.A N GLU 58.A O no hydrogen 2.950 N/A TYR 36.A N VAL 14.A O no hydrogen 2.966 N/A LEU 37.A N TYR 60.A O no hydrogen 2.795 N/A ASP 39.A N GLY 62.A O no hydrogen 2.913 N/A ASN 40.A N SER 63.A O no hydrogen 3.131 N/A ASN 40.A ND2 CYS 16.A O no hydrogen 2.946 N/A ASN 40.A ND2 LEU 37.A O no hydrogen 2.942 N/A GLN 41.A N HIS 21.A O no hydrogen 2.795 N/A ILE 42.A N ASN 64.A OD1 no hydrogen 3.034 N/A VAL 49.A N GLU 46.A O no hydrogen 3.063 N/A ASP 51.A N GLY 48.A O no hydrogen 3.067 N/A LEU 53.A N PHE 50.A O no hydrogen 2.963 N/A ILE 54.A N SER 52.A O no hydrogen 2.898 N/A LEU 56.A N LEU 53.A O no hydrogen 3.003 N/A LYS 57.A N GLN 33.A O no hydrogen 2.758 N/A GLU 58.A N GLN 33.A O no hydrogen 3.063 N/A LEU 59.A N VAL 82.A O no hydrogen 2.959 N/A TYR 60.A N LEU 35.A O no hydrogen 2.986 N/A TYR 60.A OH GLU 58.A OE1 no hydrogen 2.672 N/A LEU 61.A N ASP 84.A O no hydrogen 2.873 N/A SER 63.A N GLY 86.A O no hydrogen 2.859 N/A ASN 64.A N THR 87.A O no hydrogen 3.156 N/A ASN 64.A ND2 LEU 37.A O no hydrogen 2.948 N/A ASN 64.A ND2 LEU 61.A O no hydrogen 3.069 N/A GLN 65.A N ILE 42.A O no hydrogen 2.851 N/A LEU 66.A N ASN 88.A OD1 no hydrogen 2.980 N/A VAL 73.A N PRO 70.A O no hydrogen 3.106 N/A ASP 75.A N GLY 72.A O no hydrogen 3.021 N/A SER 76.A OG ASP 51.A O no hydrogen 2.942 N/A LEU 77.A N PHE 74.A O no hydrogen 2.922 N/A GLN 79.A NE2 THR 78.A OG1 no hydrogen 3.111 N/A LEU 80.A N LEU 77.A O no hydrogen 3.125 N/A THR 81.A N LYS 57.A O no hydrogen 2.797 N/A THR 81.A OG1 LYS 57.A O no hydrogen 3.317 N/A VAL 82.A N LYS 57.A O no hydrogen 3.117 N/A LEU 83.A N GLU 106.A O no hydrogen 2.934 N/A ASP 84.A N LEU 59.A O no hydrogen 3.032 N/A LEU 85.A N PHE 108.A O no hydrogen 2.763 N/A GLY 86.A N ASP 84.A OD1 no hydrogen 2.953 N/A THR 87.A N CYS 110.A O no hydrogen 2.886 N/A ASN 88.A ND2 LEU 61.A O no hydrogen 3.039 N/A ASN 88.A ND2 LEU 85.A O no hydrogen 3.088 N/A GLN 89.A N LEU 66.A O no hydrogen 2.735 N/A LEU 90.A N ASN 112.A OD1 no hydrogen 2.951 N/A VAL 92.A N THR 91.A OG1 no hydrogen 2.851 N/A VAL 97.A N PRO 94.A O no hydrogen 3.093 N/A ASP 99.A N ALA 96.A O no hydrogen 2.963 N/A LEU 101.A N PHE 98.A O no hydrogen 3.088 N/A HIS 103.A ND1 THR 78.A O no hydrogen 2.934 N/A LEU 104.A N LEU 101.A O no hydrogen 2.963 N/A LYS 105.A N THR 81.A O no hydrogen 2.872 N/A GLU 106.A N THR 81.A O no hydrogen 2.923 N/A LEU 107.A N HIS 129.A O no hydrogen 2.942 N/A PHE 108.A N LEU 83.A O no hydrogen 3.016 N/A MET 109.A N ALA 131.A O no hydrogen 2.828 N/A CYS 111.A N ASP 133.A O no hydrogen 2.946 N/A ASN 112.A N ASN 135.A OD1 no hydrogen 3.018 N/A ASN 112.A ND2 LEU 85.A O no hydrogen 3.108 N/A ASN 112.A ND2 MET 109.A O no hydrogen 3.269 N/A LYS 113.A N LEU 90.A O no hydrogen 2.769 N/A LEU 114.A N ASN 135.A OD1 no hydrogen 3.210 N/A THR 115.A OG1 GLU 116.A OE2 no hydrogen 2.310 N/A ARG 119.A NH2 LEU 93.A O no hydrogen 2.877 N/A ARG 123.A N GLY 120.A O no hydrogen 2.995 N/A ARG 123.A NH2 ASP 99.A OD1 no hydrogen 2.886 N/A LEU 124.A N ILE 121.A O no hydrogen 2.968 N/A HIS 126.A ND1 VAL 102.A O no hydrogen 2.953 N/A LEU 127.A N LEU 124.A O no hydrogen 3.172 N/A THR 128.A N LYS 105.A O no hydrogen 2.613 N/A THR 128.A OG1 LYS 105.A O no hydrogen 3.101 N/A THR 128.A OG1 HIS 129.A ND1 no hydrogen 2.790 N/A HIS 129.A N LYS 105.A O no hydrogen 3.008 N/A HIS 129.A ND1 THR 128.A OG1 no hydrogen 2.790 N/A LEU 130.A N HIS 153.A O no hydrogen 2.916 N/A ALA 131.A N LEU 107.A O no hydrogen 2.994 N/A LEU 132.A N TYR 155.A O no hydrogen 2.826 N/A GLN 134.A N PHE 157.A O no hydrogen 2.896 N/A GLN 134.A NE2 ASP 133.A OD2 no hydrogen 2.889 N/A ASN 135.A N ASN 159.A OD1 no hydrogen 3.166 N/A ASN 135.A ND2 MET 109.A O no hydrogen 3.000 N/A ASN 135.A ND2 LEU 132.A O no hydrogen 3.037 N/A GLN 136.A N LEU 114.A O no hydrogen 2.737 N/A LEU 137.A N ASN 159.A OD1 no hydrogen 3.032 N/A ALA 144.A N PRO 141.A O no hydrogen 2.995 N/A PHE 145.A N TYR 170.A OH no hydrogen 2.894 N/A ASP 146.A N GLY 143.A O no hydrogen 2.959 N/A LEU 148.A N PHE 145.A O no hydrogen 3.109 N/A SER 149.A OG ASP 146.A O no hydrogen 3.472 N/A LEU 151.A N LEU 148.A O no hydrogen 3.262 N/A THR 152.A N THR 128.A O no hydrogen 2.798 N/A THR 152.A OG1 THR 128.A O no hydrogen 3.155 N/A THR 152.A OG1 HIS 153.A ND1 no hydrogen 2.789 N/A HIS 153.A N THR 128.A O no hydrogen 3.063 N/A HIS 153.A ND1 THR 152.A OG1 no hydrogen 2.789 N/A ALA 154.A N ILE 181.A O no hydrogen 2.847 N/A TYR 155.A N LEU 130.A O no hydrogen 2.986 N/A ASN 159.A ND2 LEU 132.A O no hydrogen 3.020 N/A ASN 159.A ND2 LEU 156.A O no hydrogen 3.084 N/A TRP 161.A N ASN 159.A O no hydrogen 2.901 N/A TRP 161.A NE1 LEU 156.A O no hydrogen 2.994 N/A ASP 162.A N LYS 138.A O no hydrogen 2.867 N/A CYS 163.A SG TRP 161.A O no hydrogen 3.961 N/A GLU 164.A N ASP 162.A OD1 no hydrogen 3.068 N/A ARG 166.A N SER 214.A O no hydrogen 3.095 N/A ARG 166.A NE THR 213.A OG1 no hydrogen 2.973 N/A ARG 166.A NH2 GLU 210.A O no hydrogen 3.286 N/A ARG 166.A NH2 THR 213.A O no hydrogen 2.791 N/A ILE 168.A N CYS 165.A O no hydrogen 2.998 N/A MET 169.A N ARG 166.A O no hydrogen 3.057 N/A TYR 170.A OH ASP 146.A OD1 no hydrogen 2.649 N/A ARG 172.A N ILE 168.A O no hydrogen 2.862 N/A ARG 172.A NE VAL 208.A O no hydrogen 2.777 N/A ARG 172.A NH1 ASN 173.A OD1 no hydrogen 2.863 N/A ASN 173.A N MET 169.A O no hydrogen 2.845 N/A TRP 174.A N TYR 170.A O no hydrogen 2.861 N/A VAL 175.A N LEU 171.A O no hydrogen 2.766 N/A ALA 176.A N ARG 172.A O no hydrogen 3.004 N/A ASP 177.A N ASN 173.A O no hydrogen 2.957 N/A ASP 177.A N TRP 174.A O no hydrogen 3.184 N/A HIS 178.A N VAL 175.A O no hydrogen 3.177 N/A HIS 178.A ND1 TRP 174.A O no hydrogen 2.750 N/A THR 179.A OG1.B VAL 175.A O no hydrogen 3.397 N/A THR 179.A OG1.B ALA 176.A O no hydrogen 3.404 N/A ILE 181.A N HIS 178.A O no hydrogen 3.104 N/A MET 183.A N ALA 154.A O no hydrogen 2.896 N/A ARG 184.A N VAL 190.A O no hydrogen 2.788 N/A ARG 184.A NE ASP 186.A OD1 no hydrogen 2.871 N/A ARG 184.A NE ASP 186.A OD2 no hydrogen 3.233 N/A ARG 184.A NH1 ASP 192.A OD2 no hydrogen 2.802 N/A ARG 184.A NH2 ASP 186.A OD2 no hydrogen 2.948 N/A ASP 186.A N LYS 188.A O no hydrogen 2.832 N/A VAL 190.A N ARG 184.A O no hydrogen 2.980 N/A ASN 191.A ND2 THR 179.A O no hydrogen 2.754 N/A ASN 191.A ND2 ALA 182.A O no hydrogen 2.823 N/A ASP 192.A N ALA 182.A O no hydrogen 2.853 N/A ASP 194.A N ASP 192.A OD1 no hydrogen 2.902 N/A SER 195.A N ASP 192.A O no hydrogen 3.203 N/A SER 195.A OG ASP 192.A O no hydrogen 2.740 N/A LYS 197.A NZ ASP 194.A O no hydrogen 2.653 N/A CYS 198.A N THR 203.A O no hydrogen 2.754 N/A CYS 198.A SG THR 203.A O no hydrogen 3.473 N/A ALA 199.A N TRP 161.A O no hydrogen 2.796 N/A THR 201.A N ALA 199.A O no hydrogen 2.912 N/A ASN 202.A N CYS 198.A O no hydrogen 2.800 N/A VAL 205.A N ALA 196.A O no hydrogen 2.846 N/A ARG 206.A NE ASP 194.A OD1 no hydrogen 2.799 N/A ARG 206.A NH2 ASP 194.A OD1 no hydrogen 3.005 N/A ALA 207.A N PRO 204.A O no hydrogen 3.024 N/A VAL 208.A N VAL 205.A O no hydrogen 3.081 N/A SER 212.A N THR 209.A O no hydrogen 3.065 N/A SER 212.A N THR 209.A OG1 no hydrogen 3.182 N/A SER 212.A OG THR 209.A O no hydrogen 2.609 N/A SER 212.A OG THR 209.A OG1 no hydrogen 3.306 N/A THR 213.A N GLU 210.A O no hydrogen 2.953 N/A THR 213.A OG1 GLU 210.A O no hydrogen 2.702 N/A SER 214.A N GLU 164.A O no hydrogen 2.936 N/A SER 214.A OG SER 216.A OG no hydrogen 2.811 N/A SER 216.A N SER 214.A OG no hydrogen 3.087 N/A SER 216.A OG SER 214.A OG no hydrogen 2.811 N/A LYS 217.A N SER 214.A O no hydrogen 3.175 N/A CYS 218.A SG SER 214.A O no hydrogen 3.728 N/A CYS 218.A SG PRO 215.A O no hydrogen 3.917 N/A