Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tkb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N THR 48.A OG1 no hydrogen 2.815 N/A TRP 8.A NE1 CYS 51.A O no hydrogen 2.905 N/A LYS 9.A N GLY 5.A O no hydrogen 2.909 N/A LYS 9.A NZ MET 1.A O no hydrogen 2.795 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 3.236 N/A LYS 10.A N GLU 6.A O no hydrogen 2.942 N/A HIS 11.A N TRP 8.A O no hydrogen 3.032 N/A LEU 12.A N TRP 8.A O no hydrogen 2.931 N/A SER 13.A N LYS 9.A O no hydrogen 2.998 N/A SER 13.A OG LYS 9.A O no hydrogen 3.083 N/A GLU 15.A N LEU 12.A O no hydrogen 2.943 N/A PHE 16.A N SER 13.A O no hydrogen 2.970 N/A LYS 18.A N GLU 15.A O no hydrogen 3.069 N/A LYS 18.A NZ GLU 15.A OE2 no hydrogen 2.750 N/A TYR 20.A OH GLU 15.A OE1 no hydrogen 2.672 N/A PHE 21.A N LYS 18.A O no hydrogen 2.962 N/A ILE 22.A N LYS 18.A O no hydrogen 3.100 N/A LYS 23.A N PRO 19.A O no hydrogen 2.947 N/A LEU 24.A N TYR 20.A O no hydrogen 2.985 N/A MET 25.A N PHE 21.A O no hydrogen 2.871 N/A GLY 26.A N ILE 22.A O no hydrogen 2.989 N/A PHE 27.A N LYS 23.A O no hydrogen 2.946 N/A VAL 28.A N LEU 24.A O no hydrogen 2.936 N/A ALA 29.A N MET 25.A O no hydrogen 2.931 N/A GLU 30.A N GLY 26.A O no hydrogen 2.954 N/A GLU 31.A N PHE 27.A O no hydrogen 2.904 N/A ARG 32.A N VAL 28.A O no hydrogen 2.865 N/A ARG 32.A NH1 VAL 37.A O no hydrogen 2.874 N/A ARG 32.A NH1 PRO 39.A O no hydrogen 3.314 N/A ARG 32.A NH2 PRO 39.A O no hydrogen 2.869 N/A LYS 33.A N ALA 29.A O no hydrogen 3.023 N/A LYS 33.A N GLU 30.A O no hydrogen 3.228 N/A HIS 34.A N GLU 31.A O no hydrogen 3.194 N/A TYR 35.A N GLU 31.A O no hydrogen 2.787 N/A TYR 38.A N VAL 128.A O no hydrogen 2.786 N/A GLN 43.A N PRO 40.A O no hydrogen 2.904 N/A GLN 43.A NE2 GLN 80.A OE1 no hydrogen 3.058 N/A VAL 44.A N PRO 41.A O no hydrogen 3.431 N/A THR 46.A N GLN 43.A O no hydrogen 3.334 N/A THR 46.A OG1 GLN 43.A O no hydrogen 3.036 N/A THR 46.A OG1 HIS 73.A O no hydrogen 2.658 N/A THR 48.A N PHE 45.A O no hydrogen 2.781 N/A THR 48.A OG1 PHE 45.A O no hydrogen 2.695 N/A GLN 49.A N.A THR 46.A O no hydrogen 2.839 N/A GLN 49.A N.B THR 46.A O no hydrogen 2.824 N/A CYS 51.A SG ASP 52.A O.A no hydrogen 3.581 N/A CYS 51.A SG ASP 52.A O.B no hydrogen 3.661 N/A CYS 51.A SG ALA 115.A O no hydrogen 3.611 N/A ILE 53.A N SER 7.A OG no hydrogen 2.975 N/A LYS 54.A N ASP 52.A OD2.A no hydrogen 3.047 N/A ASP 55.A N ASP 52.A O.A no hydrogen 2.935 N/A ASP 55.A N ASP 52.A O.B no hydrogen 2.855 N/A VAL 56.A N ILE 53.A O no hydrogen 3.360 N/A LYS 57.A N GLY 118.A O no hydrogen 2.794 N/A LYS 57.A NZ LYS 216.A O.A no hydrogen 2.838 N/A LYS 57.A NZ LYS 216.A O.B no hydrogen 2.839 N/A VAL 58.A N GLY 118.A O no hydrogen 3.142 N/A VAL 59.A N VAL 160.A O no hydrogen 2.870 N/A ILE 60.A N LEU 120.A O no hydrogen 2.810 N/A GLY 62.A N LEU 122.A O no hydrogen 2.886 N/A TYR 66.A OH PHE 77.A O no hydrogen 2.817 N/A GLY 68.A N GLN 71.A OE1 no hydrogen 2.982 N/A GLN 71.A N GLY 68.A O no hydrogen 3.156 N/A HIS 73.A NE2 SER 78.A OG no hydrogen 2.639 N/A CYS 76.A N LEU 121.A O no hydrogen 2.902 N/A CYS 76.A SG ILE 60.A O no hydrogen 3.419 N/A SER 78.A OG HIS 73.A NE2 no hydrogen 2.639 N/A SER 78.A OG GLY 109.A O no hydrogen 3.424 N/A VAL 79.A N GLY 109.A O no hydrogen 2.808 N/A VAL 83.A N GLN 80.A O no hydrogen 2.968 N/A GLU 90.A N PRO 86.A O no hydrogen 3.009 N/A ASN 91.A N PRO 87.A O no hydrogen 3.020 N/A ASN 91.A ND2 PRO 188.A O no hydrogen 2.864 N/A ILE 92.A N SER 88.A O.A no hydrogen 2.912 N/A ILE 92.A N SER 88.A O.B no hydrogen 2.816 N/A TYR 93.A N LEU 89.A O no hydrogen 2.908 N/A TYR 93.A OH HIS 108.A O no hydrogen 2.758 N/A LYS 94.A N GLU 90.A O no hydrogen 2.894 N/A GLU 95.A N ASN 91.A O no hydrogen 2.941 N/A LEU 96.A N ILE 92.A O no hydrogen 2.897 N/A SER 97.A N TYR 93.A O no hydrogen 2.852 N/A SER 97.A OG LYS 94.A O no hydrogen 2.626 N/A THR 98.A N LYS 94.A O no hydrogen 3.393 N/A THR 98.A N GLU 95.A O no hydrogen 3.241 N/A THR 98.A OG1 GLU 95.A O no hydrogen 3.126 N/A ASP 99.A N GLU 95.A O no hydrogen 2.856 N/A ILE 100.A N LEU 96.A O no hydrogen 2.873 N/A PHE 103.A N ILE 100.A O no hydrogen 2.888 N/A HIS 105.A NE2 GLU 90.A OE1 no hydrogen 2.944 N/A HIS 105.A NE2 GLU 90.A OE2 no hydrogen 3.379 N/A GLY 107.A N HIS 105.A ND1 no hydrogen 2.817 N/A ASP 110.A N HIS 108.A ND1 no hydrogen 2.932 N/A LEU 111.A N SER 78.A OG no hydrogen 2.804 N/A SER 112.A N ASP 110.A OD1 no hydrogen 2.907 N/A SER 112.A OG ASP 110.A OD1 no hydrogen 2.662 N/A TRP 114.A N LEU 111.A O no hydrogen 2.932 N/A TRP 114.A NE1 TRP 220.A O no hydrogen 2.807 N/A ALA 115.A N LEU 111.A O no hydrogen 3.210 N/A LYS 116.A N SER 112.A O no hydrogen 2.897 N/A GLN 117.A N TRP 114.A O no hydrogen 2.975 N/A GLN 117.A NE2 GLY 113.A O no hydrogen 3.040 N/A GLN 117.A NE2 ASP 219.A O no hydrogen 2.968 N/A GLY 118.A N ALA 115.A O no hydrogen 3.033 N/A VAL 119.A N TRP 114.A O no hydrogen 3.068 N/A LEU 120.A N VAL 58.A O no hydrogen 2.726 N/A LEU 122.A N ILE 60.A O no hydrogen 3.009 N/A ALA 124.A N GLY 62.A O no hydrogen 3.086 N/A VAL 125.A N GLN 63.A O no hydrogen 2.953 N/A THR 127.A OG1 HIS 136.A ND1 no hydrogen 2.686 N/A VAL 128.A N TYR 38.A O no hydrogen 2.878 N/A ARG 129.A N SER 135.A OG no hydrogen 2.773 N/A ARG 129.A NE GLU 31.A OE1 no hydrogen 2.813 N/A ARG 129.A NH2 GLU 31.A OE1 no hydrogen 3.507 N/A ARG 129.A NH2 GLU 31.A OE2 no hydrogen 2.784 N/A ALA 130.A N THR 36.A O.A no hydrogen 2.861 N/A ALA 130.A N THR 36.A O.B no hydrogen 2.828 N/A HIS 131.A N HIS 67.A O no hydrogen 2.824 N/A GLN 132.A N ARG 129.A O no hydrogen 2.971 N/A ASN 134.A N ASP 64.A OD2 no hydrogen 2.732 N/A SER 135.A N GLN 132.A O no hydrogen 3.155 N/A SER 135.A OG ARG 129.A O no hydrogen 3.541 N/A SER 135.A OG GLN 132.A O no hydrogen 2.653 N/A HIS 136.A ND1 THR 127.A OG1 no hydrogen 2.686 N/A HIS 136.A NE2 GLU 31.A OE1 no hydrogen 2.856 N/A LYS 137.A N ASN 134.A O no hydrogen 3.136 N/A GLU 138.A N GLU 142.A OE1 no hydrogen 3.204 N/A GLU 138.A N GLU 142.A OE2 no hydrogen 2.775 N/A TRP 141.A NE1 THR 127.A OG1 no hydrogen 2.847 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.763 N/A PHE 144.A N GLY 140.A O no hydrogen 3.254 N/A THR 145.A N TRP 141.A O no hydrogen 2.812 N/A THR 145.A OG1 ALA 124.A O no hydrogen 2.756 N/A THR 145.A OG1 TRP 141.A O no hydrogen 3.178 N/A THR 145.A OG1 GLU 142.A O no hydrogen 3.309 N/A ASP 146.A N GLU 142.A O no hydrogen 2.815 N/A ALA 147.A N GLN 143.A O no hydrogen 3.021 N/A VAL 148.A N PHE 144.A O no hydrogen 3.113 N/A VAL 149.A N THR 145.A O no hydrogen 2.993 N/A SER 150.A N.A ASP 146.A O no hydrogen 2.834 N/A SER 150.A N.B ASP 146.A O no hydrogen 2.809 N/A SER 150.A OG.A GLN 154.A OE1 no hydrogen 2.793 N/A SER 150.A OG.B ASP 146.A O no hydrogen 3.062 N/A TRP 151.A N ALA 147.A O no hydrogen 2.878 N/A LEU 152.A N VAL 148.A O no hydrogen 3.083 N/A ASN 153.A N VAL 149.A O no hydrogen 2.834 N/A GLN 154.A N SER 150.A O.A no hydrogen 3.061 N/A GLN 154.A N SER 150.A O.B no hydrogen 2.890 N/A ASN 155.A N TRP 151.A O no hydrogen 2.860 N/A SER 156.A N LEU 152.A O no hydrogen 3.007 N/A GLY 158.A N ARG 179.A O no hydrogen 2.898 N/A LEU 159.A N HIS 180.A ND1 no hydrogen 3.044 N/A VAL 160.A N LYS 57.A O no hydrogen 3.032 N/A PHE 161.A N HIS 181.A O no hydrogen 2.783 N/A LEU 162.A N VAL 59.A O no hydrogen 2.787 N/A LEU 163.A N LEU 183.A O no hydrogen 2.863 N/A TRP 164.A NE1 HIS 202.A ND1 no hydrogen 2.960 N/A GLY 165.A N THR 185.A O no hydrogen 2.876 N/A GLN 169.A N GLY 165.A O no hydrogen 3.018 N/A GLN 169.A NE2 LEU 163.A O no hydrogen 3.407 N/A LYS 170.A N SER 166.A O.A no hydrogen 2.833 N/A LYS 170.A N SER 166.A O.B no hydrogen 2.854 N/A LYS 171.A N TYR 167.A O no hydrogen 3.050 N/A LYS 171.A NZ GLU 142.A O no hydrogen 3.251 N/A LYS 171.A NZ THR 145.A OG1 no hydrogen 2.840 N/A LYS 171.A NZ ASP 146.A OD1 no hydrogen 2.854 N/A GLY 172.A N ALA 168.A O no hydrogen 3.020 N/A GLY 172.A N GLN 169.A O no hydrogen 3.218 N/A SER 173.A N LYS 170.A O no hydrogen 3.108 N/A SER 173.A OG LYS 170.A O no hydrogen 2.931 N/A ILE 175.A N.A GLY 172.A O no hydrogen 3.255 N/A ILE 175.A N.B GLY 172.A O no hydrogen 3.260 N/A ASP 176.A N ASN 153.A OD1 no hydrogen 2.873 N/A LYS 178.A N ASP 176.A OD1 no hydrogen 2.802 N/A ARG 179.A N ASP 176.A O no hydrogen 3.130 N/A ARG 179.A N ASP 176.A OD1 no hydrogen 3.111 N/A ARG 179.A NE SER 156.A O no hydrogen 2.654 N/A ARG 179.A NE ASN 157.A OD1.B no hydrogen 2.761 N/A HIS 180.A N ASP 176.A O no hydrogen 2.830 N/A HIS 180.A NE2 ASN 153.A O no hydrogen 2.914 N/A HIS 181.A N LEU 159.A O no hydrogen 2.821 N/A LEU 183.A N PHE 161.A O no hydrogen 2.883 N/A THR 185.A N LEU 163.A O no hydrogen 3.101 N/A ALA 186.A N THR 185.A OG1 no hydrogen 2.732 N/A SER 189.A N.A HIS 187.A ND1 no hydrogen 2.978 N/A SER 189.A N.B HIS 187.A ND1 no hydrogen 2.996 N/A SER 189.A OG.B HIS 187.A ND1 no hydrogen 3.198 N/A SER 189.A OG.B SER 192.A OG no hydrogen 3.208 N/A SER 192.A N SER 189.A O.A no hydrogen 2.950 N/A SER 192.A N SER 189.A O.B no hydrogen 2.947 N/A SER 192.A OG HIS 187.A O no hydrogen 2.711 N/A SER 192.A OG SER 189.A O.A no hydrogen 3.429 N/A SER 192.A OG SER 189.A O.B no hydrogen 3.454 N/A SER 192.A OG SER 189.A OG.B no hydrogen 3.208 N/A ARG 195.A N SER 192.A O no hydrogen 2.846 N/A PHE 198.A N VAL 193.A O no hydrogen 3.064 N/A GLY 199.A N GLU 95.A OE1 no hydrogen 2.805 N/A CYS 200.A N PHE 197.A O no hydrogen 2.991 N/A CYS 200.A SG PHE 197.A O no hydrogen 3.238 N/A ARG 201.A N GLU 95.A OE2 no hydrogen 2.883 N/A ARG 201.A NH1 ASP 99.A O no hydrogen 3.460 N/A ARG 201.A NH1 ASP 99.A OD1 no hydrogen 2.948 N/A SER 204.A N ASP 99.A OD2 no hydrogen 2.817 N/A SER 204.A OG ASP 99.A OD1 no hydrogen 2.562 N/A SER 204.A OG ASP 99.A OD2 no hydrogen 3.333 N/A SER 204.A OG ARG 201.A O no hydrogen 3.249 N/A LYS 205.A N.A ARG 201.A O no hydrogen 3.040 N/A LYS 205.A N.B ARG 201.A O no hydrogen 3.032 N/A LYS 205.A N.C ARG 201.A O no hydrogen 3.031 N/A LYS 205.A NZ.C CYS 200.A O no hydrogen 2.336 N/A THR 206.A N HIS 202.A O no hydrogen 2.850 N/A THR 206.A OG1 HIS 202.A O no hydrogen 2.671 N/A ASN 207.A N PHE 203.A O no hydrogen 3.327 N/A ASN 207.A ND2 ILE 218.A O no hydrogen 2.970 N/A GLU 208.A N SER 204.A O no hydrogen 3.079 N/A LEU 209.A N LYS 205.A O.A no hydrogen 2.913 N/A LEU 209.A N LYS 205.A O.B no hydrogen 2.917 N/A LEU 209.A N LYS 205.A O.C no hydrogen 2.920 N/A LEU 210.A N THR 206.A O no hydrogen 2.863 N/A GLN 211.A N ASN 207.A O no hydrogen 3.169 N/A LYS 212.A N LEU 209.A O no hydrogen 3.042 N/A SER 213.A N LEU 210.A O no hydrogen 3.130 N/A SER 213.A OG LEU 210.A O no hydrogen 3.448 N/A GLY 214.A N GLN 211.A O no hydrogen 2.938 N/A LYS 215.A N LEU 210.A O no hydrogen 3.073 N/A LYS 215.A NZ ASN 157.A O.A no hydrogen 2.576 N/A LYS 215.A NZ ASN 157.A O.B no hydrogen 2.593 N/A LYS 215.A NZ SER 213.A OG no hydrogen 2.726 N/A ILE 218.A N ASN 207.A OD1 no hydrogen 2.788 N/A ASP 219.A N GLN 117.A OE1 no hydrogen 2.735 N/A TRP 220.A NE1 PHE 203.A O no hydrogen 3.014 N/A ARG 221.A N ASP 219.A OD1 no hydrogen 3.248 N/A GLU 222.A N ASP 219.A O no hydrogen 2.972 N/A