Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1x1e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 TYR 27.A OH no hydrogen 3.466 N/A ARG 3.A NH1 ASP 220.A OD2 no hydrogen 3.452 N/A ARG 3.A NH2 ASP 220.A OD1 no hydrogen 2.482 N/A ARG 3.A NH2 ASP 220.A OD2 no hydrogen 3.255 N/A LYS 4.A N HIS 72.A ND1 no hydrogen 2.875 N/A LYS 4.A NZ MET 1.A O no hydrogen 2.943 N/A LYS 4.A NZ GLU 2.A O no hydrogen 2.913 N/A ALA 5.A N ARG 28.A O no hydrogen 2.949 N/A LEU 6.A N VAL 73.A O no hydrogen 2.851 N/A VAL 7.A N ALA 30.A O no hydrogen 2.973 N/A THR 8.A N VAL 75.A O no hydrogen 2.844 N/A THR 8.A OG1 VAL 75.A O no hydrogen 3.323 N/A THR 8.A OG1 HIS 76.A ND1 no hydrogen 2.800 N/A GLY 9.A N ALA 32.A O no hydrogen 2.735 N/A GLY 10.A N ALA 32.A O no hydrogen 3.439 N/A SER 11.A OG SER 33.A OG no hydrogen 2.944 N/A ARG 16.A N ARG 12.A O no hydrogen 2.990 N/A ARG 16.A NH1 SER 11.A O no hydrogen 3.286 N/A ALA 17.A N GLY 13.A O no hydrogen 3.178 N/A ILE 18.A N ILE 14.A O no hydrogen 2.884 N/A ALA 19.A N GLY 15.A O no hydrogen 3.026 N/A GLU 20.A N ARG 16.A O no hydrogen 2.933 N/A ALA 21.A N ALA 17.A O no hydrogen 2.949 N/A LEU 22.A N ILE 18.A O no hydrogen 2.921 N/A VAL 23.A N ALA 19.A O no hydrogen 2.950 N/A ALA 24.A N GLU 20.A O no hydrogen 3.015 N/A ARG 25.A N ALA 21.A O no hydrogen 3.150 N/A ARG 25.A N LEU 22.A O no hydrogen 2.940 N/A ARG 25.A NH1 GLU 221.A OE2 no hydrogen 3.238 N/A ARG 25.A NH2 GLU 221.A OE1 no hydrogen 2.764 N/A ARG 25.A NH2 GLU 221.A OE2 no hydrogen 3.549 N/A GLY 26.A N VAL 23.A O no hydrogen 2.860 N/A TYR 27.A N LEU 22.A O no hydrogen 3.180 N/A TYR 27.A OH CYS 218.A O no hydrogen 2.706 N/A ARG 28.A N ARG 3.A O no hydrogen 2.920 N/A ALA 30.A N ALA 5.A O no hydrogen 2.828 N/A ILE 31.A N VAL 46.A O no hydrogen 2.722 N/A ALA 32.A N VAL 7.A O no hydrogen 3.003 N/A SER 33.A OG SER 11.A OG no hydrogen 2.944 N/A ALA 40.A N PRO 36.A O no hydrogen 2.857 N/A GLN 41.A N GLU 37.A O no hydrogen 3.057 N/A SER 42.A N GLU 38.A O no hydrogen 3.026 N/A SER 42.A OG GLU 38.A O no hydrogen 2.921 N/A LEU 43.A N ALA 39.A O no hydrogen 2.826 N/A GLY 44.A N ALA 40.A O no hydrogen 2.803 N/A ALA 45.A N ALA 40.A O no hydrogen 2.741 N/A VAL 46.A N VAL 29.A O no hydrogen 2.780 N/A LEU 48.A N ILE 31.A O no hydrogen 2.875 N/A THR 50.A N SER 33.A O no hydrogen 2.823 N/A THR 50.A OG1 LEU 48.A O no hydrogen 3.075 N/A ASP 51.A N ASP 55.A OD2 no hydrogen 2.728 N/A GLU 53.A N ASP 51.A OD1 no hydrogen 3.077 N/A LYS 54.A N ASP 51.A O no hydrogen 2.935 N/A ASP 55.A N ASP 51.A O no hydrogen 2.699 N/A GLY 59.A N ASP 56.A O no hydrogen 2.918 N/A VAL 61.A N PRO 57.A O no hydrogen 3.134 N/A LYS 62.A N LYS 58.A O no hydrogen 3.120 N/A ARG 63.A N GLY 59.A O no hydrogen 3.081 N/A ARG 63.A NH1 PRO 49.A O no hydrogen 3.211 N/A ARG 63.A NH2 PRO 49.A O no hydrogen 3.129 N/A ALA 64.A N LEU 60.A O no hydrogen 2.930 N/A LEU 65.A N VAL 61.A O no hydrogen 2.906 N/A GLU 66.A N LYS 62.A O no hydrogen 3.091 N/A ALA 67.A N ARG 63.A O no hydrogen 2.883 N/A LEU 68.A N ALA 64.A O no hydrogen 2.829 N/A GLY 69.A N LEU 65.A O no hydrogen 2.723 N/A GLY 70.A N LEU 65.A O no hydrogen 3.059 N/A HIS 72.A N LYS 4.A O no hydrogen 2.844 N/A VAL 73.A N LYS 4.A O no hydrogen 2.869 N/A LEU 74.A N ARG 123.A O no hydrogen 2.893 N/A VAL 75.A N LEU 6.A O no hydrogen 2.884 N/A HIS 76.A N LEU 125.A O no hydrogen 3.251 N/A HIS 76.A ND1 THR 8.A OG1 no hydrogen 2.800 N/A HIS 76.A NE2 LEU 100.A O no hydrogen 2.753 N/A ALA 77.A N THR 8.A O no hydrogen 3.049 N/A ALA 78.A N THR 8.A OG1 no hydrogen 3.388 N/A ARG 83.A NH2 PHE 181.A O no hydrogen 3.188 N/A LYS 84.A N VAL 82.A O no hydrogen 2.832 N/A LYS 84.A NZ GLU 93.A OE2 no hydrogen 3.012 N/A GLU 88.A N PRO 85.A O no hydrogen 2.940 N/A LEU 89.A N ALA 86.A O no hydrogen 3.404 N/A SER 90.A N GLU 93.A OE1 no hydrogen 2.824 N/A GLU 93.A N SER 90.A OG no hydrogen 3.042 N/A TRP 94.A N SER 90.A O no hydrogen 2.945 N/A ARG 95.A N TYR 91.A O no hydrogen 2.833 N/A ARG 95.A NH1 ASP 103.A OD2 no hydrogen 2.928 N/A ARG 95.A NH2 ASP 103.A OD2 no hydrogen 2.743 N/A ARG 96.A N GLU 92.A O no hydrogen 2.929 N/A ARG 96.A NE GLU 53.A OE1 no hydrogen 2.697 N/A ARG 96.A NH2 GLU 53.A OE2 no hydrogen 3.232 N/A VAL 97.A N GLU 93.A O no hydrogen 3.287 N/A LEU 98.A N TRP 94.A O no hydrogen 3.054 N/A TYR 99.A N ARG 95.A O no hydrogen 2.732 N/A LEU 100.A N ARG 96.A O no hydrogen 3.322 N/A HIS 101.A N VAL 97.A O no hydrogen 3.137 N/A HIS 101.A NE2 VAL 80.A O no hydrogen 2.805 N/A LEU 102.A N LEU 98.A O no hydrogen 2.881 N/A ASP 103.A N LEU 98.A O no hydrogen 3.145 N/A VAL 104.A N TYR 99.A O no hydrogen 2.804 N/A PHE 106.A N LEU 102.A O no hydrogen 2.974 N/A LEU 107.A N ASP 103.A O no hydrogen 2.985 N/A LEU 108.A N VAL 104.A O no hydrogen 2.898 N/A ALA 109.A N ALA 105.A O no hydrogen 3.058 N/A GLN 110.A N PHE 106.A O no hydrogen 2.832 N/A ALA 111.A N LEU 107.A O no hydrogen 3.122 N/A ALA 112.A N LEU 108.A O no hydrogen 2.925 N/A ALA 113.A N ALA 109.A O no hydrogen 2.910 N/A HIS 115.A N ALA 112.A O no hydrogen 2.929 N/A MET 116.A N ALA 112.A O no hydrogen 3.180 N/A ALA 117.A N ALA 113.A O no hydrogen 2.701 N/A GLU 118.A N PRO 114.A O no hydrogen 2.964 N/A ALA 119.A N HIS 115.A O no hydrogen 3.126 N/A GLY 120.A N ALA 117.A O no hydrogen 3.017 N/A TRP 121.A N MET 116.A O no hydrogen 3.147 N/A GLY 122.A N GLY 166.A O no hydrogen 2.988 N/A ARG 123.A N HIS 72.A O no hydrogen 2.826 N/A ARG 123.A NE GLY 219.A O no hydrogen 2.933 N/A ARG 123.A NH1 GLY 122.A O no hydrogen 2.955 N/A ARG 123.A NH2 GLY 219.A O no hydrogen 2.974 N/A VAL 124.A N ARG 168.A O no hydrogen 2.888 N/A LEU 125.A N LEU 74.A O no hydrogen 2.766 N/A PHE 126.A N ASN 170.A O no hydrogen 2.969 N/A GLY 128.A N LEU 172.A O no hydrogen 2.618 N/A SER 129.A N THR 132.A OG1 no hydrogen 3.167 N/A SER 129.A OG THR 131.A OG1 no hydrogen 2.863 N/A THR 131.A N SER 129.A OG no hydrogen 2.913 N/A THR 131.A OG1 SER 129.A OG no hydrogen 2.863 N/A THR 132.A N SER 129.A O no hydrogen 3.037 N/A THR 132.A OG1 SER 129.A O no hydrogen 3.213 N/A THR 132.A OG1 LYS 148.A O no hydrogen 2.890 N/A PHE 133.A N VAL 130.A O no hydrogen 2.998 N/A THR 134.A N VAL 130.A O no hydrogen 2.985 N/A THR 134.A OG1 VAL 130.A O no hydrogen 3.113 N/A VAL 139.A N GLY 136.A O no hydrogen 3.269 N/A THR 145.A N ILE 141.A O no hydrogen 2.916 N/A THR 145.A OG1 ILE 141.A O no hydrogen 2.868 N/A THR 146.A N PRO 142.A O no hydrogen 3.018 N/A THR 146.A OG1 PRO 142.A O no hydrogen 2.765 N/A ALA 147.A N ALA 143.A O no hydrogen 2.947 N/A LYS 148.A N TYR 144.A O no hydrogen 2.862 N/A LYS 148.A NZ HIS 101.A ND1 no hydrogen 2.834 N/A LYS 148.A NZ ILE 127.A O no hydrogen 2.828 N/A THR 149.A N THR 145.A O no hydrogen 3.051 N/A THR 149.A OG1 THR 131.A O no hydrogen 2.991 N/A THR 149.A OG1 THR 132.A O no hydrogen 3.456 N/A THR 149.A OG1 THR 145.A O no hydrogen 2.721 N/A ALA 150.A N THR 146.A O no hydrogen 2.873 N/A LEU 151.A N ALA 147.A O no hydrogen 3.113 N/A LEU 152.A N THR 149.A O no hydrogen 3.015 N/A GLY 153.A N ALA 150.A O no hydrogen 3.020 N/A LEU 154.A N ALA 150.A O no hydrogen 3.150 N/A THR 155.A N LEU 151.A O no hydrogen 2.885 N/A THR 155.A OG1 LEU 151.A O no hydrogen 2.622 N/A ARG 156.A N LEU 152.A O no hydrogen 3.095 N/A ALA 157.A N GLY 153.A O no hydrogen 2.942 N/A LEU 158.A N LEU 154.A O no hydrogen 2.853 N/A ALA 159.A N THR 155.A O no hydrogen 2.980 N/A LYS 160.A N ARG 156.A O no hydrogen 3.024 N/A GLU 161.A N ALA 157.A O no hydrogen 3.178 N/A TRP 162.A N LEU 158.A O no hydrogen 2.859 N/A LEU 165.A N TRP 162.A O no hydrogen 2.933 N/A GLY 166.A N ALA 163.A O no hydrogen 3.211 N/A ILE 167.A N TRP 162.A O no hydrogen 3.423 N/A ARG 168.A N GLY 122.A O no hydrogen 3.040 N/A ARG 168.A NE GLU 223.A O no hydrogen 2.714 N/A ARG 168.A NH1 ALA 163.A O no hydrogen 2.943 N/A ARG 168.A NH1 ILE 167.A O no hydrogen 3.050 N/A ARG 168.A NH2 GLU 223.A OE2 no hydrogen 2.854 N/A VAL 169.A N THR 226.A OG1 no hydrogen 2.966 N/A ASN 170.A N VAL 124.A O no hydrogen 3.088 N/A ASN 170.A ND2 LEU 225.A O no hydrogen 2.869 N/A LEU 171.A N GLN 228.A O no hydrogen 2.857 N/A LEU 172.A N PHE 126.A O no hydrogen 2.887 N/A CYS 173.A N VAL 230.A O no hydrogen 2.785 N/A CYS 173.A SG SER 129.A O no hydrogen 3.850 N/A CYS 173.A SG THR 132.A OG1 no hydrogen 3.740 N/A CYS 173.A SG LEU 171.A O no hydrogen 3.965 N/A GLY 175.A N VAL 232.A O no hydrogen 2.877 N/A GLU 178.A N ALA 205.A O no hydrogen 2.806 N/A THR 179.A N THR 182.A OG1 no hydrogen 3.377 N/A THR 182.A N THR 179.A O no hydrogen 3.275 N/A THR 182.A N THR 179.A OG1 no hydrogen 3.336 N/A THR 182.A OG1 VAL 177.A O no hydrogen 2.651 N/A THR 182.A OG1 THR 179.A O no hydrogen 3.338 N/A LEU 183.A N GLU 180.A O no hydrogen 3.168 N/A LEU 185.A N THR 182.A O no hydrogen 2.860 N/A ARG 186.A N THR 182.A O no hydrogen 3.251 N/A ARG 186.A NH1 THR 179.A O no hydrogen 3.012 N/A ARG 186.A NH2 THR 179.A O no hydrogen 3.351 N/A GLN 187.A NE2 PRO 184.A O no hydrogen 2.868 N/A LEU 191.A N ASN 188.A O no hydrogen 3.139 N/A TYR 192.A N ASN 188.A O no hydrogen 3.287 N/A GLU 193.A N PRO 189.A O no hydrogen 2.948 N/A ILE 195.A N LEU 191.A O no hydrogen 3.377 N/A THR 196.A N TYR 192.A O no hydrogen 2.937 N/A THR 196.A OG1 TYR 192.A O no hydrogen 2.609 N/A ALA 197.A N GLU 193.A O no hydrogen 2.982 N/A ARG 198.A N ILE 195.A O no hydrogen 2.886 N/A ILE 199.A N THR 196.A O no hydrogen 2.993 N/A MET 201.A N GLY 234.A O no hydrogen 3.276 N/A GLY 202.A N ILE 199.A O no hydrogen 2.714 N/A ARG 203.A NH1 TRP 204.A O no hydrogen 3.305 N/A ARG 203.A NH1 GLU 209.A OE1 no hydrogen 3.008 N/A ARG 203.A NH2 GLU 209.A OE2 no hydrogen 2.851 N/A TRP 204.A NE1 THR 196.A OG1 no hydrogen 3.055 N/A ALA 205.A N TYR 176.A O no hydrogen 2.859 N/A ARG 206.A N GLU 209.A OE1 no hydrogen 2.896 N/A ARG 206.A NH1 GLU 178.A OE1 no hydrogen 2.978 N/A GLU 209.A N ARG 206.A O no hydrogen 2.887 N/A ALA 211.A N PRO 207.A O no hydrogen 3.023 N/A ARG 212.A N GLU 208.A O no hydrogen 3.207 N/A ARG 212.A NE GLU 208.A OE1 no hydrogen 3.107 N/A ARG 212.A NE GLU 208.A OE2 no hydrogen 2.947 N/A ARG 212.A NH2 GLU 208.A OE1 no hydrogen 2.939 N/A VAL 213.A N ILE 210.A O no hydrogen 3.207 N/A ALA 214.A N ILE 210.A O no hydrogen 3.259 N/A ALA 215.A N ALA 211.A O no hydrogen 2.932 N/A VAL 216.A N ARG 212.A O no hydrogen 3.434 N/A LEU 217.A N VAL 213.A O no hydrogen 3.042 N/A CYS 218.A N ALA 215.A O no hydrogen 3.033 N/A CYS 218.A SG ALA 214.A O no hydrogen 3.318 N/A GLY 219.A N VAL 216.A O no hydrogen 3.018 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.841 N/A ALA 222.A N GLY 219.A O no hydrogen 3.119 N/A GLU 223.A N ASP 220.A O no hydrogen 3.058 N/A LEU 225.A N ALA 222.A O no hydrogen 2.908 N/A THR 226.A OG1 VAL 169.A O no hydrogen 3.504 N/A GLY 227.A N VAL 169.A O no hydrogen 2.661 N/A GLN 228.A N ASN 170.A OD1 no hydrogen 3.060 N/A VAL 230.A N LEU 171.A O no hydrogen 2.792 N/A VAL 232.A N CYS 173.A O no hydrogen 2.958 N/A GLY 235.A N ASP 233.A OD1 no hydrogen 2.955 N/A PHE 236.A N ASP 233.A O no hydrogen 3.167 N/A LEU 237.A N ASP 233.A OD2 no hydrogen 2.836 N/A TYR 239.A N GLY 235.A O no hydrogen 3.043 N/A TYR 239.A N PHE 236.A O no hydrogen 3.337 N/A