Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 114.A OE1 no hydrogen 2.703 N/A SER 1.A OG GLU 114.A OE2 no hydrogen 3.468 N/A PHE 2.A N GLU 114.A OE2 no hydrogen 2.838 N/A LYS 4.A N SER 1.A OG no hydrogen 3.020 N/A ILE 6.A N ILE 3.A O no hydrogen 3.120 N/A TYR 7.A N LYS 4.A O no hydrogen 2.861 N/A TYR 7.A OH THR 175.A OG1 no hydrogen 2.847 N/A ILE 10.A N ILE 6.A O no hydrogen 3.029 N/A ASN 11.A N TYR 7.A O no hydrogen 2.610 N/A ASN 11.A ND2 THR 175.A OG1 no hydrogen 2.677 N/A SER 12.A N GLN 8.A O no hydrogen 3.015 N/A SER 12.A OG GLN 8.A O no hydrogen 3.313 N/A ILE 13.A N ASP 9.A O no hydrogen 2.810 N/A LEU 14.A N ILE 10.A O no hydrogen 2.904 N/A ILE 15.A N ASN 11.A O no hydrogen 3.134 N/A GLY 16.A N CYS 172.A O no hydrogen 2.799 N/A GLN 17.A N LEU 14.A O no hydrogen 3.067 N/A VAL 19.A N LEU 170.A O no hydrogen 2.782 N/A ARG 21.A N GLU 168.A O no hydrogen 3.377 N/A PHE 27.A N GLY 24.A O no hydrogen 2.773 N/A GLU 28.A N GLU 25.A O no hydrogen 3.284 N/A VAL 31.A N PHE 27.A O no hydrogen 3.183 N/A TYR 32.A N GLU 28.A O no hydrogen 2.823 N/A TYR 32.A OH GLU 48.A OE1 no hydrogen 2.601 N/A LYS 33.A N LYS 29.A O no hydrogen 2.589 N/A PHE 34.A N LEU 30.A O no hydrogen 2.775 N/A LEU 35.A N VAL 31.A O no hydrogen 2.834 N/A LYS 36.A N TYR 32.A O no hydrogen 2.891 N/A GLU 37.A N PHE 34.A O no hydrogen 2.792 N/A ASN 38.A N PHE 34.A O no hydrogen 2.997 N/A ASN 38.A N LEU 35.A O no hydrogen 3.267 N/A ASN 38.A ND2 PHE 34.A O no hydrogen 2.997 N/A LEU 39.A N LEU 35.A O no hydrogen 2.728 N/A SER 40.A OG ASP 41.A OD1 no hydrogen 2.989 N/A LEU 42.A N LEU 39.A O no hydrogen 2.741 N/A THR 43.A OG1 LEU 39.A O no hydrogen 3.046 N/A PHE 44.A N LEU 106.A O no hydrogen 2.920 N/A LYS 45.A N GLU 48.A OE1 no hydrogen 3.019 N/A GLN 46.A NE2 LEU 79.A O no hydrogen 2.876 N/A TYR 49.A N LYS 45.A O no hydrogen 2.965 N/A TYR 49.A OH TYR 113.A OH no hydrogen 2.444 N/A LEU 50.A N GLN 46.A O no hydrogen 3.155 N/A ASN 51.A N TYR 47.A O no hydrogen 2.856 N/A ASN 51.A ND2 PHE 95.A O no hydrogen 2.880 N/A ASP 52.A N GLU 48.A O no hydrogen 2.823 N/A LEU 53.A N TYR 49.A O no hydrogen 2.910 N/A PHE 54.A N LEU 50.A O no hydrogen 3.081 N/A MET 55.A N ASN 51.A O no hydrogen 2.913 N/A LYS 56.A N ASP 52.A O no hydrogen 3.004 N/A ASN 57.A N PHE 54.A O no hydrogen 2.899 N/A ASN 57.A ND2 LEU 53.A O no hydrogen 2.924 N/A ILE 60.A N ASN 57.A O no hydrogen 2.972 N/A HIS 63.A N GLU 87.A OE1 no hydrogen 2.767 N/A HIS 63.A ND1 GLU 87.A OE1 no hydrogen 3.004 N/A ARG 66.A N GLY 62.A O no hydrogen 3.252 N/A ARG 66.A NE ILE 60.A O no hydrogen 2.872 N/A ARG 66.A NH1 THR 86.A O no hydrogen 2.810 N/A ARG 66.A NH1 TRP 89.A O no hydrogen 3.192 N/A ARG 66.A NH2 ILE 60.A O no hydrogen 3.564 N/A TYR 67.A N HIS 63.A O no hydrogen 2.755 N/A TYR 67.A OH ARG 81.A O no hydrogen 2.698 N/A LYS 68.A N GLU 64.A O no hydrogen 3.327 N/A LEU 69.A N ARG 66.A O no hydrogen 3.282 N/A PHE 70.A N TYR 67.A O no hydrogen 2.984 N/A ASN 71.A N LYS 68.A O no hydrogen 3.243 N/A SER 72.A OG GLU 150.A OE1 no hydrogen 3.454 N/A SER 72.A OG GLU 150.A OE2 no hydrogen 2.709 N/A THR 74.A N GLU 150.A OE1 no hydrogen 3.240 N/A THR 74.A OG1 GLU 150.A OE1 no hydrogen 2.393 N/A LEU 75.A N SER 72.A OG no hydrogen 3.127 N/A LEU 76.A N SER 72.A O no hydrogen 2.757 N/A PHE 77.A N PRO 73.A O no hydrogen 3.055 N/A LEU 78.A N THR 74.A O no hydrogen 2.858 N/A LEU 79.A N LEU 75.A O no hydrogen 2.723 N/A SER 80.A N LEU 76.A O no hydrogen 3.200 N/A SER 80.A OG LEU 76.A O no hydrogen 2.956 N/A SER 80.A OG ARG 81.A O no hydrogen 3.301 N/A ARG 81.A NE ASP 101.A OD2 no hydrogen 3.223 N/A ARG 81.A NH1 GLU 96.A O no hydrogen 2.666 N/A ARG 81.A NH1 ASP 101.A OD1 no hydrogen 2.890 N/A THR 86.A N GLY 82.A O no hydrogen 2.881 N/A THR 86.A OG1 ARG 81.A O no hydrogen 3.254 N/A THR 86.A OG1 GLY 82.A O no hydrogen 2.783 N/A GLU 87.A N LYS 83.A O no hydrogen 2.674 N/A ASN 88.A N ALA 84.A O no hydrogen 2.914 N/A TRP 89.A N THR 86.A O no hydrogen 3.301 N/A TRP 89.A NE1 ASN 51.A OD1 no hydrogen 2.944 N/A SER 90.A OG GLU 92.A OE2 no hydrogen 3.239 N/A GLU 92.A N SER 90.A OG no hydrogen 3.157 N/A GLU 92.A N GLU 92.A OE2 no hydrogen 2.925 N/A ASN 93.A N SER 90.A O no hydrogen 2.908 N/A ASN 93.A N SER 90.A OG no hydrogen 2.988 N/A ASN 93.A ND2 ASN 88.A O no hydrogen 3.047 N/A PHE 95.A N ASN 51.A OD1 no hydrogen 2.915 N/A LYS 98.A NZ ASP 101.A OD2 no hydrogen 3.048 N/A GLN 99.A NE2 ASN 100.A OD1 no hydrogen 3.418 N/A ASP 101.A N LYS 98.A O no hydrogen 2.893 N/A THR 102.A OG1 LEU 78.A O no hydrogen 2.556 N/A ALA 103.A N GLN 46.A OE1 no hydrogen 2.935 N/A ASP 104.A N LEU 116.A O no hydrogen 3.169 N/A ASP 104.A N ASP 117.A OD1 no hydrogen 3.093 N/A ILE 105.A N LEU 116.A O no hydrogen 2.905 N/A LEU 106.A N PHE 44.A O no hydrogen 2.677 N/A LEU 107.A N GLU 114.A O no hydrogen 2.873 N/A VAL 108.A N LEU 42.A O no hydrogen 2.910 N/A LYS 109.A N PHE 112.A O no hydrogen 3.103 N/A PHE 112.A N LYS 109.A O no hydrogen 2.962 N/A TYR 113.A N LEU 153.A O no hydrogen 2.795 N/A TYR 113.A OH TYR 49.A OH no hydrogen 2.444 N/A GLU 114.A N LEU 107.A O no hydrogen 2.813 N/A LEU 115.A N ASP 155.A O no hydrogen 3.024 N/A LEU 116.A N ILE 105.A O no hydrogen 2.806 N/A ASP 117.A N ASN 157.A O no hydrogen 3.158 N/A VAL 118.A N ASP 104.A OD1 no hydrogen 2.863 N/A LYS 119.A N LEU 159.A O no hydrogen 2.846 N/A LYS 119.A NZ ASN 131.A O no hydrogen 3.050 N/A ARG 121.A N VAL 161.A O no hydrogen 2.911 N/A ILE 123.A N TRP 163.A O no hydrogen 3.028 N/A SER 124.A N ASN 122.A OD1 no hydrogen 2.867 N/A LYS 125.A N ASN 122.A O no hydrogen 3.192 N/A ILE 132.A N ILE 198.A O no hydrogen 2.785 N/A ALA 135.A N MET 196.A O no hydrogen 2.766 N/A LYS 137.A N SER 134.A OG no hydrogen 3.064 N/A LYS 137.A NZ THR 102.A OG1 no hydrogen 2.898 N/A LEU 138.A N SER 134.A O no hydrogen 2.882 N/A ALA 139.A N ALA 135.A O no hydrogen 2.770 N/A GLN 140.A N TYR 136.A O no hydrogen 2.848 N/A GLN 140.A NE2 TYR 136.A O no hydrogen 3.505 N/A THR 141.A N LYS 137.A O no hydrogen 2.782 N/A THR 141.A OG1 LYS 137.A O no hydrogen 2.785 N/A CYS 142.A N LEU 138.A O no hydrogen 2.864 N/A CYS 142.A SG LEU 138.A O no hydrogen 3.434 N/A ALA 143.A N ALA 139.A O no hydrogen 2.890 N/A LYS 144.A N GLN 140.A O no hydrogen 2.921 N/A MET 145.A N THR 141.A O no hydrogen 3.049 N/A ILE 146.A N CYS 142.A O no hydrogen 3.196 N/A ASP 147.A N ALA 143.A O no hydrogen 3.032 N/A ASN 148.A N LYS 144.A O no hydrogen 3.057 N/A ASN 148.A ND2 LYS 144.A O no hydrogen 2.685 N/A LYS 149.A N ILE 146.A O no hydrogen 3.150 N/A GLU 150.A N MET 145.A O no hydrogen 2.897 N/A ASP 155.A N TYR 113.A O no hydrogen 2.780 N/A ASN 157.A N LEU 115.A O no hydrogen 2.979 N/A ASN 157.A ND2 GLU 114.A OE1 no hydrogen 2.643 N/A TYR 158.A N ALA 178.A O no hydrogen 2.911 N/A LEU 159.A N ASP 117.A O no hydrogen 2.869 N/A GLU 160.A N SER 176.A O no hydrogen 2.942 N/A VAL 161.A N LYS 119.A O no hydrogen 2.754 N/A ASP 162.A N SER 174.A O no hydrogen 2.884 N/A TRP 163.A N ARG 121.A O no hydrogen 2.791 N/A GLU 164.A N VAL 171.A O no hydrogen 2.902 N/A ASN 166.A N ASP 169.A O no hydrogen 2.918 N/A ASP 169.A N ASN 166.A O no hydrogen 3.351 N/A LEU 170.A N VAL 19.A O no hydrogen 2.794 N/A VAL 171.A N GLU 164.A O no hydrogen 2.948 N/A CYS 172.A N GLN 17.A O no hydrogen 2.981 N/A CYS 172.A SG ASP 162.A O no hydrogen 3.299 N/A CYS 172.A SG SER 174.A O no hydrogen 3.410 N/A VAL 173.A N ASP 162.A O no hydrogen 2.921 N/A SER 174.A OG ASP 162.A OD1 no hydrogen 3.019 N/A THR 175.A OG1 TYR 7.A OH no hydrogen 2.847 N/A SER 176.A N GLU 160.A O no hydrogen 3.061 N/A ALA 178.A N TYR 158.A O no hydrogen 3.063 N/A GLU 179.A N GLN 207.A OE1 no hydrogen 2.994 N/A LEU 180.A N ILE 156.A O no hydrogen 2.868 N/A LYS 182.A N GLU 179.A O no hydrogen 2.909 N/A SER 183.A N LEU 180.A O no hydrogen 3.161 N/A SER 183.A OG LEU 180.A O no hydrogen 2.842 N/A GLU 184.A N ASP 206.A OD2 no hydrogen 2.544 N/A SER 186.A N GLU 184.A OE2 no hydrogen 3.380 N/A SER 186.A OG GLU 184.A OE2 no hydrogen 3.032 N/A GLU 187.A N GLU 184.A O no hydrogen 2.790 N/A LEU 188.A N PRO 185.A O no hydrogen 3.066 N/A ASN 191.A N GLN 197.A O no hydrogen 2.952 N/A ASN 191.A ND2 GLN 199.A OE1 no hydrogen 2.893 N/A ALA 194.A N ASN 191.A OD1 no hydrogen 3.157 N/A ALA 195.A N ALA 193.A O no hydrogen 2.659 N/A MET 196.A N TRP 192.A O no hydrogen 3.023 N/A GLN 197.A N ASN 191.A O no hydrogen 3.255 N/A GLN 197.A N ALA 194.A O no hydrogen 2.998 N/A GLN 197.A NE2 ALA 195.A O no hydrogen 3.654 N/A ILE 198.A N ILE 133.A O no hydrogen 2.826 N/A GLN 199.A N TYR 189.A O no hydrogen 2.996 N/A GLN 199.A NE2 ASN 131.A OD1 no hydrogen 2.903 N/A ARG 203.A NH2 ASP 162.A OD1 no hydrogen 2.741 N/A ASP 204.A N HIS 201.A O no hydrogen 2.859 N/A LEU 205.A N VAL 202.A O no hydrogen 2.923 N/A GLN 207.A NE2 GLU 179.A O no hydrogen 2.935 N/A GLN 207.A NE2 ASP 206.A O no hydrogen 2.981 N/A GLY 208.A N ASP 206.A OD1 no hydrogen 3.385 N/A PHE 209.A N LYS 182.A O no hydrogen 2.874 N/A THR 212.A N GLU 215.A OE2 no hydrogen 2.823 N/A ARG 213.A NH1 ASP 155.A OD1 no hydrogen 3.216 N/A ARG 213.A NH2 ASP 155.A OD1 no hydrogen 3.087 N/A GLU 215.A N THR 212.A OG1 no hydrogen 3.180 N/A TRP 216.A N THR 212.A O no hydrogen 3.049 N/A TRP 216.A NE1 SER 183.A O no hydrogen 2.769 N/A ALA 217.A N ARG 213.A O no hydrogen 3.119 N/A LYS 218.A N GLU 214.A O no hydrogen 3.060 N/A SER 219.A N GLU 215.A O no hydrogen 2.843 N/A TYR 220.A N TRP 216.A O no hydrogen 2.763 N/A TYR 220.A OH ALA 135.A O no hydrogen 2.636 N/A LEU 221.A N ALA 217.A O no hydrogen 2.894 N/A LYS 222.A N LYS 218.A O no hydrogen 2.975 N/A HIS 223.A N SER 219.A O no hydrogen 2.977 N/A HIS 223.A NE2 LEU 188.A O no hydrogen 2.802 N/A PHE 224.A N TYR 220.A O no hydrogen 2.766 N/A VAL 225.A N LEU 221.A O no hydrogen 3.070 N/A THR 226.A N LYS 222.A O no hydrogen 3.007 N/A THR 226.A OG1 LYS 222.A O no hydrogen 2.902 N/A GLN 227.A N HIS 223.A O no hydrogen 2.839 N/A ALA 228.A N PHE 224.A O no hydrogen 2.790 N/A GLU 229.A N VAL 225.A O no hydrogen 3.040 N/A GLN 230.A N THR 226.A O no hydrogen 3.038 N/A ARG 231.A N GLN 227.A O no hydrogen 2.918 N/A ALA 232.A N ALA 228.A O no hydrogen 3.043 N/A ILE 233.A N GLU 229.A O no hydrogen 3.478 N/A SER 234.A N GLN 230.A O no hydrogen 2.945 N/A MET 235.A N ARG 231.A O no hydrogen 2.852 N/A MET 235.A N ALA 232.A O no hydrogen 3.308 N/A LYS 238.A N SER 234.A O no hydrogen 3.234 N/A PHE 239.A N MET 235.A O no hydrogen 2.753 N/A VAL 240.A N ILE 236.A O no hydrogen 3.132 N/A LYS 241.A N ILE 236.A O no hydrogen 2.864 N/A PHE 243.A N VAL 240.A O no hydrogen 2.900 N/A LYS 244.A N VAL 240.A O no hydrogen 3.061 N/A LYS 244.A N LYS 241.A O no hydrogen 3.213 N/A TYR 246.A N PHE 243.A O no hydrogen 2.979 N/A ILE 247.A N LYS 244.A O no hydrogen 3.093 N/A