Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tpu_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ALA 1.A O no hydrogen 2.963 N/A THR 4.A N ARG 23.A O no hydrogen 2.825 N/A GLN 5.A NE2 TYR 88.A O no hydrogen 2.972 N/A GLN 5.A NE2 SER 105.A OG no hydrogen 2.826 N/A SER 6.A N SER 21.A O no hydrogen 3.064 N/A ARG 8.A NH2 GLU 152.A OE2 no hydrogen 2.347 N/A ASN 9.A ND2 GLU 152.A OE2 no hydrogen 3.396 N/A LYS 10.A N LYS 106.A O no hydrogen 2.920 N/A THR 12.A N THR 108.A O no hydrogen 2.985 N/A THR 12.A OG1 VAL 13.A O no hydrogen 3.483 N/A THR 14.A N LEU 110.A O no hydrogen 2.942 N/A THR 14.A OG1 LEU 110.A O no hydrogen 3.021 N/A GLY 15.A N ALA 80.A O no hydrogen 2.955 N/A GLY 16.A N VAL 13.A O no hydrogen 2.882 N/A VAL 18.A N LEU 77.A O no hydrogen 2.852 N/A LEU 20.A N LEU 75.A O no hydrogen 3.027 N/A SER 21.A N SER 6.A O no hydrogen 2.722 N/A ARG 23.A N THR 4.A O no hydrogen 3.101 N/A ARG 23.A NH1 ASP 72.A OD1 no hydrogen 3.454 N/A GLN 24.A N GLU 71.A O no hydrogen 2.908 N/A GLN 24.A NE2 HIS 28.A O no hydrogen 3.029 N/A GLN 24.A NE2 GLN 70.A O no hydrogen 2.922 N/A THR 25.A N ALA 2.A O no hydrogen 3.341 N/A THR 25.A OG1 ALA 2.A O no hydrogen 3.203 N/A HIS 28.A N GLN 24.A OE1 no hydrogen 3.283 N/A TYR 30.A N SER 93.A O no hydrogen 3.218 N/A MET 31.A N SER 48.A O no hydrogen 3.068 N/A TYR 32.A N ALA 91.A O no hydrogen 2.765 N/A TRP 33.A N HIS 46.A O no hydrogen 2.858 N/A TYR 34.A N PHE 89.A O no hydrogen 2.753 N/A ARG 35.A N ARG 43.A O no hydrogen 2.872 N/A ARG 35.A NE ASP 37.A OD1 no hydrogen 3.422 N/A ARG 35.A NE ASP 37.A OD2 no hydrogen 3.138 N/A ARG 35.A NH1 SER 83.A O no hydrogen 3.448 N/A ARG 35.A NH2 ASP 37.A OD1 no hydrogen 2.864 N/A ARG 35.A NH2 SER 83.A O no hydrogen 2.989 N/A GLN 36.A N LEU 87.A O no hydrogen 2.875 N/A ASP 37.A N GLY 41.A O no hydrogen 3.409 N/A HIS 40.A N ASP 37.A O no hydrogen 3.096 N/A ARG 43.A N ARG 35.A O no hydrogen 2.942 N/A ARG 43.A NH2 ASP 37.A OD2 no hydrogen 2.860 N/A ILE 45.A N TRP 33.A O no hydrogen 2.784 N/A HIS 46.A NE2 TYR 63.A O no hydrogen 2.981 N/A TYR 47.A N GLN 55.A O no hydrogen 2.989 N/A SER 48.A OG ASN 53.A O no hydrogen 2.701 N/A TYR 49.A N ASN 53.A OD1 no hydrogen 2.989 N/A GLY 50.A N SER 48.A OG no hydrogen 3.308 N/A GLY 52.A N ARG 67.A O no hydrogen 3.122 N/A ASN 53.A N GLY 50.A O no hydrogen 3.030 N/A ASN 53.A ND2 GLN 55.A OE1 no hydrogen 3.160 N/A GLN 55.A N TYR 47.A O no hydrogen 2.951 N/A GLY 57.A N ILE 45.A O no hydrogen 3.010 N/A ASP 58.A N LEU 44.A O no hydrogen 2.821 N/A VAL 59.A N LEU 44.A O no hydrogen 3.110 N/A TYR 63.A N PRO 60.A O no hydrogen 2.803 N/A TYR 63.A OH TYR 88.A OH no hydrogen 2.718 N/A LYS 64.A N LEU 76.A O no hydrogen 2.959 N/A LYS 64.A NZ GLU 78.A OE1 no hydrogen 3.087 N/A LYS 64.A NZ GLU 78.A OE2 no hydrogen 3.442 N/A THR 66.A N PHE 74.A O no hydrogen 2.991 N/A ARG 67.A NE THR 69.A O no hydrogen 3.071 N/A ARG 67.A NH1 ASN 29.A O no hydrogen 2.878 N/A ARG 67.A NH1 SER 48.A OG no hydrogen 2.633 N/A ARG 67.A NH2 ASN 29.A O no hydrogen 3.019 N/A ARG 67.A NH2 GLN 70.A O no hydrogen 2.653 N/A THR 69.A OG1 ASP 72.A OD2 no hydrogen 2.864 N/A PHE 73.A N CYS 22.A O no hydrogen 2.977 N/A PHE 74.A N THR 66.A O no hydrogen 2.891 N/A LEU 75.A N LEU 20.A O no hydrogen 2.912 N/A LEU 76.A N LYS 64.A O no hydrogen 2.758 N/A LEU 77.A N VAL 18.A O no hydrogen 2.894 N/A ALA 80.A N GLY 16.A O no hydrogen 2.915 N/A SER 81.A N GLN 84.A OE1 no hydrogen 2.842 N/A SER 81.A OG SER 83.A OG no hydrogen 2.878 N/A SER 83.A N SER 81.A OG no hydrogen 3.241 N/A SER 83.A OG SER 81.A OG no hydrogen 2.878 N/A GLN 84.A N SER 81.A O no hydrogen 2.670 N/A GLN 84.A NE2 GLY 62.A O no hydrogen 3.327 N/A THR 85.A N PRO 82.A O no hydrogen 2.868 N/A THR 85.A OG1 PRO 82.A O no hydrogen 3.003 N/A SER 86.A N LEU 107.A O no hydrogen 2.817 N/A SER 86.A OG GLN 36.A O no hydrogen 3.153 N/A SER 86.A OG ASP 37.A OD1 no hydrogen 2.927 N/A SER 86.A OG LEU 87.A O no hydrogen 3.219 N/A TYR 88.A N SER 105.A O no hydrogen 2.826 N/A TYR 88.A OH TYR 63.A OH no hydrogen 2.718 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.557 N/A PHE 89.A N TYR 34.A O no hydrogen 2.807 N/A CYS 90.A N GLN 5.A OE1 no hydrogen 2.776 N/A CYS 90.A SG TYR 32.A O no hydrogen 3.834 N/A ALA 91.A N TYR 32.A O no hydrogen 2.950 N/A SER 92.A N TYR 100.A O no hydrogen 2.934 N/A SER 92.A OG HIS 28.A ND1 no hydrogen 2.517 N/A SER 93.A N TYR 30.A O no hydrogen 3.024 N/A SER 93.A OG ALA 95.A O no hydrogen 2.918 N/A SER 93.A OG GLN 98.A O no hydrogen 2.898 N/A ALA 95.A N SER 93.A OG no hydrogen 3.148 N/A GLN 98.A N ALA 95.A O no hydrogen 3.036 N/A TYR 100.A N SER 92.A O no hydrogen 2.885 N/A GLY 102.A N CYS 90.A O no hydrogen 2.869 N/A SER 105.A N TYR 88.A O no hydrogen 2.952 N/A SER 105.A OG PRO 7.A O no hydrogen 2.767 N/A LYS 106.A N ARG 8.A O no hydrogen 2.678 N/A LYS 106.A NZ ASP 149.A O no hydrogen 2.996 N/A LEU 107.A N SER 86.A O no hydrogen 2.882 N/A THR 108.A N LYS 10.A O no hydrogen 2.995 N/A THR 108.A OG1 HIS 150.A ND1 no hydrogen 2.762 N/A VAL 109.A N THR 85.A OG1 no hydrogen 2.927 N/A LEU 110.A N THR 12.A O no hydrogen 2.853 N/A LYS 114.A N ASP 112.A OD1 no hydrogen 3.402 N/A ASN 115.A N ASP 112.A O no hydrogen 3.473 N/A VAL 116.A N LEU 113.A O no hydrogen 3.234 N/A PHE 117.A N TYR 147.A O no hydrogen 2.874 N/A GLU 120.A N THR 144.A O no hydrogen 2.926 N/A ALA 122.A N LEU 142.A O no hydrogen 2.940 N/A PHE 124.A N VAL 140.A O no hydrogen 2.805 N/A ILE 131.A N SER 127.A O no hydrogen 3.282 N/A SER 132.A N GLU 128.A O no hydrogen 3.028 N/A SER 132.A OG GLU 128.A O no hydrogen 3.410 N/A SER 132.A OG ALA 129.A O no hydrogen 2.921 N/A HIS 133.A N ALA 129.A O no hydrogen 2.887 N/A THR 134.A N GLU 130.A O no hydrogen 2.971 N/A THR 134.A OG1 GLU 130.A O no hydrogen 2.479 N/A GLN 135.A N ILE 131.A O no hydrogen 2.818 N/A ALA 137.A N VAL 192.A O no hydrogen 2.697 N/A THR 138.A N GLU 130.A OE1 no hydrogen 2.973 N/A THR 138.A OG1 GLU 130.A OE2 no hydrogen 2.912 N/A LEU 139.A N LEU 190.A O no hydrogen 2.704 N/A VAL 140.A N PHE 124.A O no hydrogen 3.292 N/A CYS 141.A N SER 188.A O no hydrogen 2.773 N/A CYS 141.A SG ALA 122.A O no hydrogen 3.774 N/A LEU 142.A N ALA 122.A O no hydrogen 2.930 N/A ALA 143.A N LEU 186.A O no hydrogen 3.036 N/A THR 144.A N GLU 120.A O no hydrogen 2.869 N/A GLY 145.A N GLU 175.A OE2 no hydrogen 2.685 N/A PHE 146.A N TYR 184.A O no hydrogen 3.181 N/A TYR 147.A N PHE 117.A O no hydrogen 3.035 N/A HIS 150.A N PRO 148.A O no hydrogen 2.436 N/A HIS 150.A ND1 THR 108.A OG1 no hydrogen 2.762 N/A HIS 150.A NE2 ASN 9.A OD1 no hydrogen 2.568 N/A GLU 152.A N GLN 209.A O no hydrogen 3.054 N/A SER 154.A N GLN 207.A O no hydrogen 2.962 N/A SER 154.A OG GLN 207.A O no hydrogen 3.306 N/A TRP 155.A NE1 SER 188.A OG no hydrogen 2.808 N/A TRP 156.A N ARG 205.A O no hydrogen 2.699 N/A TRP 156.A NE1 SER 154.A OG no hydrogen 3.123 N/A VAL 157.A N LYS 160.A O no hydrogen 2.964 N/A ASN 158.A N HIS 203.A O no hydrogen 3.034 N/A ASN 158.A ND2 ASN 202.A OD1 no hydrogen 3.198 N/A LYS 160.A N VAL 157.A O no hydrogen 3.376 N/A VAL 162.A N TRP 155.A O no hydrogen 2.934 N/A VAL 166.A N HIS 163.A O no hydrogen 3.201 N/A CYS 167.A N ARG 189.A O no hydrogen 3.099 N/A THR 168.A OG1 SER 188.A OG no hydrogen 2.894 N/A ASP 169.A N SER 187.A O no hydrogen 3.036 N/A LEU 173.A N ALA 185.A O no hydrogen 2.952 N/A GLU 175.A N ARG 183.A O no hydrogen 2.876 N/A GLN 176.A N SER 182.A OG no hydrogen 3.296 N/A SER 182.A OG ARG 183.A O no hydrogen 2.689 N/A ARG 183.A NH1 GLY 145.A O no hydrogen 2.563 N/A TYR 184.A N PHE 146.A O no hydrogen 2.865 N/A ALA 185.A N LEU 173.A O no hydrogen 2.877 N/A LEU 186.A N ALA 143.A O no hydrogen 2.819 N/A SER 187.A N ASP 169.A OD2 no hydrogen 3.146 N/A SER 187.A OG ASP 169.A OD1 no hydrogen 2.989 N/A SER 187.A OG ASP 169.A OD2 no hydrogen 2.855 N/A SER 188.A N CYS 141.A O no hydrogen 2.910 N/A SER 188.A OG CYS 167.A O no hydrogen 3.248 N/A SER 188.A OG THR 168.A OG1 no hydrogen 2.894 N/A ARG 189.A N CYS 167.A O no hydrogen 2.851 N/A ARG 189.A NH1 CYS 167.A O no hydrogen 3.445 N/A ARG 189.A NH1 ASP 169.A OD1 no hydrogen 3.066 N/A ARG 189.A NH2 ASP 169.A OD1 no hydrogen 3.149 N/A LEU 190.A N LEU 139.A O no hydrogen 2.935 N/A ARG 191.A N GLY 165.A O no hydrogen 2.905 N/A ARG 191.A NE GLU 130.A OE2 no hydrogen 3.217 N/A ARG 191.A NH2 GLU 130.A OE2 no hydrogen 3.087 N/A VAL 192.A N ALA 137.A O no hydrogen 2.831 N/A SER 193.A OG THR 195.A OG1 no hydrogen 3.164 N/A ALA 194.A N GLN 135.A O no hydrogen 2.924 N/A THR 195.A OG1 SER 193.A OG no hydrogen 3.164 N/A PHE 196.A N SER 193.A O no hydrogen 3.018 N/A PHE 196.A N SER 193.A OG no hydrogen 3.373 N/A TRP 197.A N SER 193.A O no hydrogen 3.105 N/A GLN 198.A N ALA 194.A O no hydrogen 3.011 N/A ASN 199.A N THR 195.A O no hydrogen 3.389 N/A ARG 201.A N ASN 199.A OD1 no hydrogen 2.959 N/A ASN 202.A N ASN 199.A O no hydrogen 3.244 N/A ASN 202.A ND2 PHE 196.A O no hydrogen 2.709 N/A HIS 203.A N ASN 158.A OD1 no hydrogen 2.865 N/A PHE 204.A N ALA 235.A O no hydrogen 2.772 N/A ARG 205.A N TRP 156.A O no hydrogen 2.722 N/A ARG 205.A NH1 GLN 207.A OE1 no hydrogen 3.087 N/A ARG 205.A NH1 SER 232.A OG no hydrogen 3.099 N/A ARG 205.A NH2 GLN 207.A OE1 no hydrogen 3.448 N/A CYS 206.A N ALA 233.A O no hydrogen 2.992 N/A GLN 207.A N SER 154.A O no hydrogen 2.925 N/A VAL 208.A N VAL 231.A O no hydrogen 2.967 N/A GLN 209.A N GLU 152.A O no hydrogen 2.907 N/A GLN 209.A NE2 PHE 210.A O no hydrogen 3.539 N/A PHE 210.A N GLN 229.A O no hydrogen 2.674 N/A TYR 211.A N HIS 150.A O no hydrogen 3.209 N/A TYR 211.A OH GLU 152.A OE1 no hydrogen 3.382 N/A GLY 212.A N THR 228.A OG1 no hydrogen 2.705 N/A LEU 213.A N PRO 226.A O no hydrogen 3.134 N/A SER 214.A N ASP 217.A OD1 no hydrogen 2.842 N/A ASN 216.A N SER 214.A OG no hydrogen 3.329 N/A ASN 216.A ND2 GLU 215.A OE1 no hydrogen 3.514 N/A ASP 217.A N SER 214.A O no hydrogen 3.153 N/A TRP 219.A NE1 ARG 223.A O no hydrogen 2.946 N/A ARG 223.A NH1 VAL 116.A O no hydrogen 3.353 N/A ARG 223.A NH2 LYS 114.A O no hydrogen 3.130 N/A ARG 223.A NH2 VAL 116.A O no hydrogen 2.639 N/A LYS 225.A NZ SER 214.A O no hydrogen 2.812 N/A LYS 225.A NZ GLU 215.A O no hydrogen 3.332 N/A LYS 225.A NZ ASP 217.A O no hydrogen 2.869 N/A VAL 227.A N LYS 225.A O no hydrogen 2.608 N/A THR 228.A N LEU 213.A O no hydrogen 2.987 N/A THR 228.A OG1 GLY 212.A O no hydrogen 3.294 N/A GLN 229.A N PHE 210.A O no hydrogen 3.063 N/A VAL 231.A N VAL 208.A O no hydrogen 3.018 N/A ALA 233.A N CYS 206.A O no hydrogen 3.050 N/A ALA 235.A N PHE 204.A O no hydrogen 2.852 N/A GLY 237.A N ASN 202.A O no hydrogen 2.998 N/A ARG 238.A N TRP 197.A O no hydrogen 3.169 N/A ARG 238.A NE ASP 240.A OD2 no hydrogen 3.411 N/A