Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e9e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ILE 218.A O no hydrogen 2.988 N/A THR 3.A OG1 THR 217.A OG1 no hydrogen 3.369 N/A PHE 4.A N PHE 216.A O no hydrogen 2.829 N/A ALA 5.A N VAL 167.A O no hydrogen 2.911 N/A LEU 6.A N PHE 214.A O no hydrogen 2.819 N/A THR 7.A N ALA 169.A O no hydrogen 2.856 N/A THR 7.A OG1 HIS 168.A NE2 no hydrogen 2.569 N/A ILE 8.A N SER 212.A O no hydrogen 2.731 N/A VAL 9.A N MET 171.A O no hydrogen 2.829 N/A ARG 10.A N GLY 210.A O no hydrogen 3.147 N/A ARG 10.A NH1 CYS 206.A O no hydrogen 2.861 N/A ALA 11.A N SER 173.A O no hydrogen 2.777 N/A GLY 12.A N THR 65.A OG1 no hydrogen 2.877 N/A GLU 13.A N GLN 38.A OE1 no hydrogen 2.908 N/A THR 14.A N ASN 17.A OD1 no hydrogen 2.701 N/A THR 14.A OG1 ASN 17.A OD1 no hydrogen 3.203 N/A THR 14.A OG1 GLN 23.A OE1 no hydrogen 2.807 N/A TYR 16.A N THR 14.A OG1 no hydrogen 3.154 N/A ARG 18.A NH2 GLN 15.A OE1 no hydrogen 3.485 N/A LYS 20.A N ASN 17.A O no hydrogen 2.646 N/A LEU 21.A N TYR 16.A O no hydrogen 3.266 N/A LEU 22.A N ARG 98.A O no hydrogen 2.781 N/A GLN 23.A NE2 ASN 17.A OD1 no hydrogen 2.997 N/A GLN 25.A N GLU 96.A OE2 no hydrogen 2.926 N/A GLN 25.A NE2 GLU 89.A O no hydrogen 3.009 N/A GLY 26.A N GLU 96.A OE1 no hydrogen 2.787 N/A ILE 27.A N GLN 23.A O no hydrogen 3.045 N/A LEU 31.A N GLN 64.A OE1 no hydrogen 2.838 N/A SER 32.A N GLU 13.A O no hydrogen 3.070 N/A SER 32.A OG GLU 13.A O no hydrogen 3.346 N/A GLY 35.A N SER 32.A OG no hydrogen 3.091 N/A HIS 36.A N SER 32.A O no hydrogen 2.916 N/A HIS 36.A ND1 SER 32.A O no hydrogen 3.262 N/A GLN 37.A N ASP 33.A O no hydrogen 2.948 N/A GLN 38.A N THR 34.A O no hydrogen 2.767 N/A GLN 38.A NE2 GLU 13.A OE1 no hydrogen 3.044 N/A ALA 39.A N GLY 35.A O no hydrogen 2.961 N/A ALA 40.A N HIS 36.A O no hydrogen 2.932 N/A ALA 41.A N GLN 37.A O no hydrogen 2.929 N/A ALA 42.A N GLN 38.A O no hydrogen 2.896 N/A GLY 43.A N ALA 39.A O no hydrogen 2.866 N/A ARG 44.A N ALA 40.A O no hydrogen 2.857 N/A TYR 45.A N ALA 41.A O no hydrogen 2.921 N/A LEU 46.A N ALA 42.A O no hydrogen 3.062 N/A LYS 47.A N ARG 44.A O no hydrogen 3.386 N/A LYS 47.A NZ ASP 48.A OD2 no hydrogen 2.766 N/A LEU 49.A N LEU 46.A O no hydrogen 2.983 N/A PHE 51.A N SER 76.A OG no hydrogen 2.848 N/A THR 52.A N HIS 168.A O no hydrogen 2.853 N/A THR 52.A OG1 ASN 53.A OD1 no hydrogen 2.845 N/A THR 52.A OG1 HIS 168.A O no hydrogen 3.193 N/A ASN 53.A ND2 GLU 146.A OE1 no hydrogen 2.840 N/A PHE 55.A N LEU 170.A O no hydrogen 2.847 N/A VAL 56.A N ILE 82.A O no hydrogen 2.817 N/A SER 57.A N VAL 172.A O no hydrogen 3.026 N/A SER 57.A OG HIS 174.A NE2 no hydrogen 2.659 N/A LEU 59.A N SER 57.A OG no hydrogen 3.156 N/A GLN 60.A N ASP 28.A OD1 no hydrogen 2.759 N/A ARG 61.A NH2 GLY 24.A O no hydrogen 3.029 N/A ILE 63.A N LEU 59.A O no hydrogen 3.011 N/A GLN 64.A N GLN 60.A O no hydrogen 2.924 N/A THR 65.A N ARG 61.A O no hydrogen 3.209 N/A THR 65.A OG1 ARG 61.A O no hydrogen 2.632 N/A ALA 66.A N ALA 62.A O no hydrogen 3.025 N/A GLU 67.A N ILE 63.A O no hydrogen 2.907 N/A ILE 68.A N GLN 64.A O no hydrogen 2.961 N/A ILE 69.A N THR 65.A O no hydrogen 3.007 N/A LEU 70.A N ALA 66.A O no hydrogen 2.916 N/A GLY 71.A N GLU 67.A O no hydrogen 2.711 N/A ASN 72.A N ILE 68.A O no hydrogen 3.001 N/A ASN 72.A N ILE 69.A O no hydrogen 3.124 N/A ASN 72.A ND2 ILE 68.A O no hydrogen 3.002 N/A ASN 73.A N LEU 70.A O no hydrogen 3.004 N/A ASN 73.A ND2 LEU 49.A O no hydrogen 2.868 N/A LEU 74.A N LYS 47.A O no hydrogen 2.800 N/A HIS 75.A N ASN 73.A OD1 no hydrogen 2.842 N/A SER 76.A OG LEU 49.A O no hydrogen 3.437 N/A SER 76.A OG ASN 73.A OD1 no hydrogen 2.740 N/A THR 79.A N SER 76.A O no hydrogen 3.037 N/A THR 79.A OG1 PHE 51.A O no hydrogen 2.630 N/A THR 79.A OG1 SER 76.A O no hydrogen 3.535 N/A ILE 82.A N VAL 54.A O no hydrogen 2.757 N/A ASP 84.A N VAL 56.A O no hydrogen 2.714 N/A LEU 86.A N ASP 84.A OD1 no hydrogen 2.849 N/A LEU 87.A N ASP 84.A O no hydrogen 2.852 N/A ARG 88.A N PRO 85.A O no hydrogen 3.049 N/A ARG 88.A NE GLN 25.A OE1 no hydrogen 3.064 N/A ARG 88.A NH1 ASN 58.A OD1 no hydrogen 2.638 N/A ARG 90.A N GLU 89.A OE1 no hydrogen 2.804 N/A ARG 90.A NE GLU 123.A O no hydrogen 2.998 N/A ARG 90.A NH2 GLU 123.A O no hydrogen 2.971 N/A GLY 91.A N GLU 123.A OE1 no hydrogen 2.741 N/A PHE 92.A N GLU 96.A OE2 no hydrogen 2.657 N/A VAL 94.A N PRO 120.A O no hydrogen 2.936 N/A ALA 95.A N PHE 92.A O no hydrogen 3.112 N/A GLU 96.A N GLY 93.A O no hydrogen 3.171 N/A GLY 97.A N LEU 22.A O no hydrogen 2.653 N/A ARG 98.A N ALA 95.A O no hydrogen 3.108 N/A LYS 100.A N LYS 20.A O no hydrogen 2.959 N/A HIS 102.A N PRO 99.A O no hydrogen 2.912 N/A LEU 103.A N LYS 100.A O no hydrogen 3.087 N/A ASN 105.A N GLU 101.A O no hydrogen 3.145 N/A MET 106.A N HIS 102.A O no hydrogen 2.898 N/A ALA 107.A N LEU 103.A O no hydrogen 3.061 N/A ASN 108.A N LYS 104.A O no hydrogen 2.925 N/A ALA 109.A N ASN 105.A O no hydrogen 2.911 N/A ALA 110.A N ALA 107.A O no hydrogen 2.983 N/A GLY 111.A N ASN 108.A O no hydrogen 3.091 N/A GLN 112.A N ALA 107.A O no hydrogen 3.001 N/A ASP 116.A N SER 113.A O no hydrogen 3.097 N/A TYR 117.A N CYS 114.A O no hydrogen 3.367 N/A GLY 122.A N PRO 119.A O no hydrogen 2.818 N/A GLU 123.A N GLY 91.A O no hydrogen 2.892 N/A THR 124.A N GLN 127.A OE1 no hydrogen 2.960 N/A GLN 127.A N THR 124.A OG1 no hydrogen 3.054 N/A VAL 128.A N THR 124.A O no hydrogen 3.164 N/A LYS 129.A N LEU 125.A O no hydrogen 2.914 N/A THR 130.A N GLU 126.A O no hydrogen 2.914 N/A THR 130.A OG1 GLU 126.A O no hydrogen 2.943 N/A ARG 131.A N GLN 127.A O no hydrogen 3.064 N/A ARG 131.A NE GLU 123.A OE2 no hydrogen 2.794 N/A ARG 131.A NH1 LEU 86.A O no hydrogen 2.853 N/A ARG 131.A NH1 ARG 88.A O no hydrogen 2.784 N/A ARG 131.A NH2 ARG 88.A O no hydrogen 3.015 N/A ARG 131.A NH2 GLU 123.A OE1 no hydrogen 2.833 N/A ARG 131.A NH2 GLU 123.A OE2 no hydrogen 3.401 N/A PHE 132.A N VAL 128.A O no hydrogen 2.991 N/A LYS 133.A N LYS 129.A O no hydrogen 2.875 N/A MET 134.A N THR 130.A O no hydrogen 2.961 N/A PHE 135.A N ARG 131.A O no hydrogen 2.806 N/A LEU 136.A N PHE 132.A O no hydrogen 2.803 N/A LYS 137.A N LYS 133.A O no hydrogen 3.027 N/A SER 138.A N MET 134.A O no hydrogen 2.991 N/A LEU 139.A N PHE 135.A O no hydrogen 2.631 N/A PHE 140.A N LEU 136.A O no hydrogen 2.841 N/A GLN 141.A N LYS 137.A O no hydrogen 3.129 N/A GLN 141.A NE2 GLU 145.A OE2 no hydrogen 2.723 N/A ARG 142.A N SER 138.A O no hydrogen 2.965 N/A MET 143.A N LEU 139.A O no hydrogen 2.872 N/A PHE 144.A N PHE 140.A O no hydrogen 2.960 N/A GLU 145.A N GLN 141.A O no hydrogen 3.013 N/A GLU 146.A N ARG 142.A O no hydrogen 3.191 N/A HIS 147.A N MET 143.A O no hydrogen 2.824 N/A HIS 147.A NE2 ASN 53.A OD1 no hydrogen 2.819 N/A GLY 148.A N PHE 144.A O no hydrogen 2.656 N/A ALA 155.A N ASP 160.A OD1 no hydrogen 2.907 N/A GLY 156.A N ASP 160.A OD2 no hydrogen 2.831 N/A LEU 157.A N ASP 160.A OD1 no hydrogen 3.051 N/A LEU 157.A N ASP 160.A OD2 no hydrogen 2.981 N/A ASP 160.A N LEU 157.A O no hydrogen 2.959 N/A GLY 161.A N VAL 153.A O no hydrogen 3.013 N/A ALA 162.A N ASP 159.A O no hydrogen 2.905 N/A GLN 163.A N GLN 163.A OE1 no hydrogen 2.785 N/A GLN 163.A NE2 VAL 153.A O no hydrogen 2.947 N/A VAL 165.A N ALA 162.A O no hydrogen 3.109 N/A HIS 168.A N THR 52.A OG1 no hydrogen 3.218 N/A HIS 168.A NE2 THR 7.A OG1 no hydrogen 2.569 N/A ALA 169.A N ALA 5.A O no hydrogen 2.773 N/A LEU 170.A N ASN 53.A O no hydrogen 2.793 N/A MET 171.A N THR 7.A O no hydrogen 2.780 N/A VAL 172.A N PHE 55.A O no hydrogen 2.859 N/A SER 173.A N VAL 9.A O no hydrogen 2.973 N/A SER 173.A OG LEU 87.A O no hydrogen 2.713 N/A HIS 174.A NE2 SER 57.A OG no hydrogen 2.659 N/A ALA 176.A N GLU 89.A OE2 no hydrogen 2.929 N/A PHE 177.A N GLU 89.A OE1 no hydrogen 2.782 N/A ILE 178.A N HIS 174.A O no hydrogen 2.818 N/A ARG 179.A N GLY 175.A O no hydrogen 3.010 N/A ARG 179.A NH1 PHE 203.A O no hydrogen 2.376 N/A ILE 180.A N ALA 176.A O no hydrogen 3.025 N/A SER 181.A N PHE 177.A O no hydrogen 2.838 N/A SER 181.A OG PHE 177.A O no hydrogen 2.876 N/A VAL 182.A N ILE 178.A O no hydrogen 2.783 N/A ARG 183.A N ARG 179.A O no hydrogen 2.980 N/A HIS 184.A N ILE 180.A O no hydrogen 2.964 N/A HIS 184.A ND1 ASP 188.A OD2 no hydrogen 2.743 N/A LEU 185.A N SER 181.A O no hydrogen 2.979 N/A VAL 186.A N VAL 182.A O no hydrogen 2.841 N/A GLU 187.A N ARG 183.A O no hydrogen 2.649 N/A LEU 189.A N HIS 184.A O no hydrogen 2.924 N/A CYS 191.A N LEU 185.A O no hydrogen 3.125 N/A CYS 191.A SG LEU 185.A O no hydrogen 3.654 N/A CYS 191.A SG CYS 192.A O no hydrogen 3.856 N/A CYS 192.A N ILE 230.A O no hydrogen 2.872 N/A CYS 192.A SG ILE 230.A O no hydrogen 3.935 N/A LEU 197.A N PRO 194.A O no hydrogen 3.066 N/A LYS 198.A N GLN 201.A OE1 no hydrogen 2.753 N/A VAL 202.A N LYS 198.A O no hydrogen 3.096 N/A SER 204.A N GLN 201.A O no hydrogen 3.366 N/A SER 204.A OG GLN 201.A O no hydrogen 3.017 N/A CYS 206.A SG PRO 207.A O no hydrogen 3.466 N/A ASN 208.A ND2 ALA 11.A O no hydrogen 3.051 N/A THR 209.A N ALA 11.A O no hydrogen 3.215 N/A THR 209.A OG1 ASN 208.A O no hydrogen 2.547 N/A THR 209.A OG1 HIS 240.A NE2 no hydrogen 2.928 N/A GLY 210.A N PRO 207.A O no hydrogen 2.812 N/A ILE 211.A N ARG 237.A O no hydrogen 2.846 N/A SER 212.A N ILE 8.A O no hydrogen 2.810 N/A ARG 213.A N PHE 234.A O no hydrogen 2.777 N/A ARG 213.A NE THR 7.A OG1 no hydrogen 2.815 N/A ARG 213.A NH1 ALA 158.A O no hydrogen 2.749 N/A ARG 213.A NH1 ASP 160.A O no hydrogen 2.896 N/A ARG 213.A NH2 THR 7.A OG1 no hydrogen 2.842 N/A ARG 213.A NH2 ALA 158.A O no hydrogen 3.009 N/A PHE 214.A N LEU 6.A O no hydrogen 3.079 N/A ILE 215.A N GLN 231.A O no hydrogen 2.672 N/A PHE 216.A N PHE 4.A O no hydrogen 2.794 N/A THR 217.A N ARG 229.A O no hydrogen 2.792 N/A THR 217.A OG1 THR 3.A OG1 no hydrogen 3.369 N/A ILE 218.A N LEU 2.A O no hydrogen 2.800 N/A HIS 219.A N ARG 226.A O no hydrogen 3.120 N/A ARG 220.A NH2 GLN 141.A OE1 no hydrogen 3.340 N/A GLU 221.A N VAL 224.A O no hydrogen 2.542 N/A ARG 226.A N HIS 219.A O no hydrogen 3.042 N/A THR 228.A N THR 217.A O no hydrogen 2.764 N/A THR 228.A OG1 THR 217.A O no hydrogen 3.497 N/A ARG 229.A N THR 217.A O no hydrogen 3.348 N/A GLN 231.A N ILE 215.A O no hydrogen 2.815 N/A GLN 231.A NE2 GLY 232.A O no hydrogen 3.048 N/A GLY 232.A N CYS 192.A O no hydrogen 2.794 N/A VAL 233.A N ARG 213.A O no hydrogen 2.837 N/A ASN 236.A N SER 212.A OG no hydrogen 2.801 N/A ASN 236.A ND2 SER 204.A O no hydrogen 2.961 N/A ASN 236.A ND2 SER 204.A OG no hydrogen 3.152 N/A ARG 237.A N ILE 211.A O no hydrogen 2.744 N/A ARG 237.A NH1 TYR 45.A OH no hydrogen 3.152 N/A ARG 237.A NH1 LEU 157.A O no hydrogen 2.931 N/A ARG 237.A NH1 ASP 160.A OD2 no hydrogen 3.060 N/A ARG 237.A NH2 ASP 160.A OD2 no hydrogen 2.820 N/A HIS 240.A NE2 THR 209.A OG1 no hydrogen 2.928 N/A LEU 241.A N LYS 238.A O no hydrogen 2.841 N/A