Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3th1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ASP 2.A O no hydrogen 2.858 N/A GLU 7.A N LYS 3.A O no hydrogen 2.951 N/A VAL 8.A N ARG 4.A O no hydrogen 2.830 N/A ALA 9.A N VAL 5.A O no hydrogen 2.807 N/A ALA 11.A N GLU 7.A O no hydrogen 3.073 N/A ILE 12.A N VAL 8.A O no hydrogen 3.306 N/A VAL 13.A N ALA 9.A O no hydrogen 3.042 N/A GLU 14.A N GLY 10.A O no hydrogen 2.828 N/A ALA 15.A N ALA 11.A O no hydrogen 3.070 N/A VAL 16.A N ILE 12.A O no hydrogen 2.806 N/A VAL 16.A N VAL 13.A O no hydrogen 3.254 N/A ARG 17.A N VAL 13.A O no hydrogen 3.142 N/A LYS 18.A NZ ASP 22.A OD2 no hydrogen 3.305 N/A LEU 20.A N VAL 16.A O no hydrogen 2.953 N/A LEU 21.A N ARG 17.A O no hydrogen 2.972 N/A LEU 21.A N LYS 18.A O no hydrogen 3.042 N/A ASP 22.A N LYS 18.A O no hydrogen 2.748 N/A LYS 23.A N ILE 19.A O no hydrogen 2.950 N/A ARG 24.A N LEU 21.A O no hydrogen 2.642 N/A VAL 25.A N LEU 20.A O no hydrogen 3.057 N/A THR 26.A N GLU 29.A OE1 no hydrogen 2.770 N/A GLU 29.A N THR 26.A OG1 no hydrogen 2.753 N/A TYR 30.A N THR 26.A O no hydrogen 2.893 N/A ARG 31.A N GLU 27.A O no hydrogen 3.204 N/A ALA 32.A N ALA 28.A O no hydrogen 3.260 N/A GLY 33.A N GLU 29.A O no hydrogen 2.758 N/A VAL 34.A N TYR 30.A O no hydrogen 2.817 N/A ASP 35.A N ARG 31.A O no hydrogen 2.515 N/A TYR 36.A N ALA 32.A O no hydrogen 2.962 N/A TYR 36.A OH PRO 171.A O no hydrogen 2.794 N/A LEU 37.A N GLY 33.A O no hydrogen 3.068 N/A THR 38.A N VAL 34.A O no hydrogen 3.119 N/A THR 38.A OG1 VAL 34.A O no hydrogen 2.600 N/A GLU 39.A N ASP 35.A O no hydrogen 3.360 N/A VAL 40.A N TYR 36.A O no hydrogen 2.888 N/A ALA 41.A N LEU 37.A O no hydrogen 2.843 N/A GLN 42.A N THR 38.A O no hydrogen 2.512 N/A THR 43.A N GLU 39.A O no hydrogen 2.633 N/A THR 43.A OG1 GLU 39.A O no hydrogen 3.041 N/A THR 43.A OG1 VAL 40.A O no hydrogen 2.901 N/A ARG 44.A N ALA 41.A O no hydrogen 3.113 N/A GLU 45.A N VAL 40.A O no hydrogen 2.914 N/A LEU 49.A N GLU 45.A O no hydrogen 2.831 N/A LEU 50.A N THR 46.A O no hydrogen 3.419 N/A ASP 51.A N ALA 47.A O no hydrogen 2.833 N/A VAL 52.A N LEU 48.A O no hydrogen 3.083 N/A LEU 54.A N LEU 50.A O no hydrogen 3.078 N/A THR 57.A N LEU 54.A O no hydrogen 2.583 N/A ILE 58.A N LEU 54.A O no hydrogen 3.159 N/A ILE 59.A N ASN 55.A O no hydrogen 3.187 N/A GLU 60.A N SER 56.A O no hydrogen 3.391 N/A GLY 61.A N THR 57.A O no hydrogen 3.146 N/A LYS 62.A N ILE 58.A O no hydrogen 3.274 N/A ALA 63.A N ILE 59.A O no hydrogen 2.791 N/A GLN 64.A N GLY 61.A O no hydrogen 3.001 N/A ARG 65.A N GLY 61.A O no hydrogen 3.143 N/A ARG 65.A N LYS 62.A O no hydrogen 3.201 N/A SER 66.A OG LYS 62.A O no hydrogen 2.782 N/A ARG 67.A N GLU 245.A OE1 no hydrogen 2.917 N/A THR 68.A OG1 SER 69.A O no hydrogen 3.268 N/A SER 69.A N VAL 243.A O no hydrogen 3.010 N/A ALA 72.A N THR 202.A O no hydrogen 3.275 N/A VAL 85.A N LYS 145.A O no hydrogen 2.888 N/A LEU 89.A N ARG 157.A O no hydrogen 2.945 N/A TYR 92.A N TYR 142.A OH no hydrogen 3.207 N/A THR 94.A OG1 ASP 96.A OD1 no hydrogen 2.626 N/A THR 94.A OG1 HIS 97.A ND1 no hydrogen 2.653 N/A HIS 97.A N THR 94.A O no hydrogen 3.435 N/A HIS 97.A ND1 THR 94.A O no hydrogen 3.311 N/A HIS 97.A NE2 TYR 142.A OH no hydrogen 2.533 N/A LEU 100.A N THR 158.A O no hydrogen 2.581 N/A ILE 101.A N ARG 236.A O no hydrogen 2.793 N/A ILE 102.A N VAL 156.A O no hydrogen 3.026 N/A ARG 103.A N MET 238.A O.A no hydrogen 2.865 N/A ARG 103.A N MET 238.A O.B no hydrogen 2.876 N/A ARG 103.A NH1 GLU 232.A OE2 no hydrogen 3.228 N/A THR 105.A OG1 ASP 241.A OD1 no hydrogen 2.343 N/A VAL 106.A N GLY 152.A O no hydrogen 2.937 N/A ARG 107.A N PHE 242.A O no hydrogen 2.959 N/A ARG 107.A NH2 GLY 111.A O no hydrogen 3.382 N/A SER 108.A N GLU 112.A O no hydrogen 2.893 N/A SER 108.A OG THR 110.A OG1 no hydrogen 2.973 N/A SER 108.A OG GLU 112.A OE2 no hydrogen 3.392 N/A THR 110.A N SER 108.A OG no hydrogen 3.075 N/A THR 110.A OG1 SER 108.A OG no hydrogen 2.973 N/A THR 110.A OG1 GLU 112.A OE2 no hydrogen 2.628 N/A GLY 111.A N SER 108.A O no hydrogen 2.920 N/A LEU 114.A N VAL 106.A O no hydrogen 3.213 N/A GLY 116.A N THR 148.A O no hydrogen 2.758 N/A ALA 117.A N THR 148.A OG1 no hydrogen 2.877 N/A VAL 118.A N ARG 194.A O.A no hydrogen 3.106 N/A VAL 118.A N ARG 194.A O.B no hydrogen 3.184 N/A ILE 119.A N LEU 146.A O no hydrogen 2.495 N/A ASP 120.A N LYS 192.A O no hydrogen 2.658 N/A VAL 121.A N GLY 144.A O no hydrogen 2.885 N/A TRP 122.A N HIS 190.A O no hydrogen 2.960 N/A HIS 123.A N TYR 142.A O no hydrogen 3.449 N/A HIS 123.A NE2 THR 158.A OG1 no hydrogen 2.617 N/A SER 124.A OG VAL 162.A O no hydrogen 3.360 N/A THR 125.A N LEU 129.A O no hydrogen 2.711 N/A THR 125.A OG1 ASP 127.A OD2 no hydrogen 3.535 N/A GLY 128.A N THR 125.A O no hydrogen 2.728 N/A TYR 130.A N HIS 134.A ND1 no hydrogen 3.261 N/A TYR 130.A OH TYR 164.A OH no hydrogen 2.887 N/A SER 131.A OG VAL 139.A O no hydrogen 3.352 N/A SER 131.A OG TYR 141.A O no hydrogen 2.616 N/A ILE 137.A N HIS 134.A O no hydrogen 3.161 N/A TYR 141.A N PRO 138.A O no hydrogen 3.308 N/A TYR 142.A N LYS 90.A O no hydrogen 2.863 N/A TYR 142.A OH HIS 97.A NE2 no hydrogen 2.533 N/A ARG 143.A NE SER 131.A O no hydrogen 3.225 N/A ARG 143.A NE SER 131.A OG no hydrogen 2.834 N/A ARG 143.A NH1 TYR 77.A O no hydrogen 2.913 N/A ARG 143.A NH2 TYR 77.A O no hydrogen 2.309 N/A ARG 143.A NH2 SER 131.A O no hydrogen 3.393 N/A GLY 144.A N VAL 121.A O no hydrogen 3.038 N/A LYS 145.A N PRO 83.A O no hydrogen 2.688 N/A LEU 146.A N ILE 119.A O no hydrogen 2.631 N/A THR 148.A N ALA 117.A O no hydrogen 2.949 N/A THR 148.A OG1 LEU 114.A O no hydrogen 3.145 N/A ASP 149.A N ASN 153.A O no hydrogen 3.175 N/A GLN 151.A N ASP 149.A OD2 no hydrogen 2.718 N/A GLY 152.A N ASP 149.A O no hydrogen 2.757 N/A ASN 153.A N ASP 149.A OD2 no hydrogen 3.026 N/A ASN 153.A ND2 GLY 104.A O no hydrogen 3.165 N/A TYR 154.A N GLY 104.A O no hydrogen 3.097 N/A TYR 154.A OH LEU 240.A O no hydrogen 2.663 N/A VAL 156.A N ILE 102.A O no hydrogen 2.905 N/A ARG 157.A N GLY 87.A O no hydrogen 3.286 N/A THR 158.A N LEU 100.A O no hydrogen 2.952 N/A THR 158.A OG1 HIS 123.A NE2 no hydrogen 2.617 N/A THR 158.A OG1 THR 159.A O no hydrogen 3.416 N/A THR 159.A OG1 LYS 98.A O no hydrogen 3.556 N/A MET 160.A N LYS 98.A O no hydrogen 2.641 N/A VAL 162.A N SER 124.A OG no hydrogen 3.147 N/A TYR 164.A OH TYR 130.A OH no hydrogen 2.887 N/A ILE 166.A N THR 183.A O no hydrogen 2.902 N/A THR 172.A N GLU 45.A OE1 no hydrogen 3.087 N/A THR 172.A OG1 GLU 45.A OE1 no hydrogen 2.561 N/A ARG 174.A N GLY 170.A O no hydrogen 3.454 N/A ARG 174.A NH2 GLU 39.A OE2 no hydrogen 3.162 N/A LEU 175.A N PRO 171.A O no hydrogen 3.104 N/A LEU 176.A N THR 172.A O no hydrogen 2.858 N/A GLY 177.A N GLY 173.A O no hydrogen 3.001 N/A HIS 178.A N ARG 174.A O no hydrogen 2.713 N/A LEU 179.A N LEU 175.A O no hydrogen 3.106 N/A LEU 179.A N LEU 176.A O no hydrogen 2.868 N/A GLY 180.A N GLY 177.A O no hydrogen 3.132 N/A SER 181.A N LEU 176.A O no hydrogen 3.033 N/A SER 181.A OG HIS 182.A O no hydrogen 3.462 N/A ARG 185.A N TYR 164.A O no hydrogen 3.102 N/A ARG 185.A NH2 TYR 206.A OH no hydrogen 3.431 N/A ARG 185.A NH2 ASP 216.A OD1 no hydrogen 2.612 N/A HIS 188.A ND1 PRO 186.A O no hydrogen 3.125 N/A HIS 188.A NE2 HIS 190.A NE2 no hydrogen 2.817 N/A VAL 189.A N TYR 205.A O no hydrogen 3.018 N/A HIS 190.A N TRP 122.A O no hydrogen 2.880 N/A HIS 190.A NE2 HIS 188.A NE2 no hydrogen 2.817 N/A PHE 191.A N THR 203.A O no hydrogen 2.715 N/A LYS 192.A N ASP 120.A O no hydrogen 2.668 N/A LYS 192.A NZ GLN 74.A OE1 no hydrogen 2.562 N/A LYS 192.A NZ THR 202.A OG1 no hydrogen 3.009 N/A VAL 193.A N LEU 201.A O no hydrogen 2.755 N/A ARG 194.A N.A VAL 118.A O no hydrogen 3.049 N/A ARG 194.A N.B VAL 118.A O no hydrogen 3.061 N/A LYS 195.A NZ ALA 115.A O no hydrogen 3.104 N/A PHE 198.A N LYS 195.A O no hydrogen 2.661 N/A LEU 201.A N VAL 193.A O no hydrogen 2.859 N/A THR 203.A N PHE 191.A O no hydrogen 2.810 N/A THR 203.A OG1 ALA 70.A O no hydrogen 2.967 N/A THR 203.A OG1 GLN 204.A O no hydrogen 3.367 N/A TYR 205.A N VAL 189.A O no hydrogen 3.011 N/A TYR 206.A N LEU 225.A O no hydrogen 2.664 N/A TYR 206.A OH GLY 220.A O no hydrogen 2.520 N/A GLU 208.A N THR 227.A O no hydrogen 2.851 N/A GLY 210.A N PHE 207.A O no hydrogen 2.901 N/A CYS 217.A N TRP 184.A O no hydrogen 3.116 N/A CYS 217.A SG TRP 184.A O no hydrogen 3.434 N/A LEU 225.A N THR 222.A O no hydrogen 2.620 N/A ILE 226.A N PRO 223.A O no hydrogen 3.023 N/A THR 227.A N TYR 206.A O no hydrogen 3.015 N/A THR 227.A OG1 TYR 206.A O no hydrogen 3.133 N/A GLU 229.A N GLU 208.A OE1 no hydrogen 3.148 N/A GLU 232.A N VAL 235.A O no hydrogen 2.938 N/A ARG 236.A NH2 THR 227.A OG1 no hydrogen 3.141 N/A VAL 237.A N THR 230.A O no hydrogen 2.796 N/A MET 238.A N.A ILE 101.A O no hydrogen 2.695 N/A MET 238.A N.B ILE 101.A O no hydrogen 2.701 N/A LEU 240.A N ARG 103.A O no hydrogen 3.130 N/A PHE 242.A N THR 105.A O no hydrogen 2.928 N/A ILE 244.A N ARG 107.A O no hydrogen 3.098 N/A