Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tob_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ TYR 2.A O no hydrogen 3.317 N/A LYS 1.A NZ ASP 4.A OD1 no hydrogen 3.251 N/A LYS 1.A NZ GLY 26.A O no hydrogen 2.968 N/A LYS 1.A NZ GLN 28.A O no hydrogen 2.525 N/A LYS 5.A NZ GLU 12.A OE1 no hydrogen 3.442 N/A ILE 6.A N ILE 13.A O no hydrogen 2.937 N/A HIS 7.A N LEU 31.A O no hydrogen 2.697 N/A ILE 8.A N TYR 11.A O no hydrogen 3.006 N/A TYR 11.A N ILE 8.A O no hydrogen 3.012 N/A TYR 11.A OH TYR 147.A OH no hydrogen 3.382 N/A ILE 13.A N ILE 6.A O no hydrogen 3.005 N/A ALA 15.A N ASP 4.A O no hydrogen 2.883 N/A TRP 16.A N LEU 93.A O no hydrogen 2.829 N/A TYR 17.A N LEU 93.A O no hydrogen 2.837 N/A SER 19.A OG LEU 89.A O no hydrogen 2.636 N/A PHE 21.A N SER 19.A O no hydrogen 2.879 N/A TYR 25.A N PRO 22.A O no hydrogen 2.691 N/A LYS 27.A N GLU 23.A O no hydrogen 3.101 N/A LYS 30.A NZ GLU 12.A OE2 no hydrogen 2.771 N/A LEU 31.A N LYS 5.A O no hydrogen 3.175 N/A TRP 32.A N MET 41.A O no hydrogen 2.977 N/A LEU 33.A N HIS 7.A O no hydrogen 2.718 N/A CYS 34.A N LYS 39.A O no hydrogen 3.061 N/A CYS 34.A SG HIS 50.A NE2 no hydrogen 3.549 N/A TYR 36.A OH HIS 121.A NE2 no hydrogen 3.364 N/A CYS 37.A SG HIS 50.A NE2 no hydrogen 3.423 N/A LEU 38.A N CYS 34.A O no hydrogen 2.895 N/A MET 41.A N TRP 32.A O no hydrogen 2.762 N/A LYS 42.A NZ ASP 24.A OD2 no hydrogen 2.736 N/A SER 46.A OG TYR 43.A O no hydrogen 3.224 N/A TYR 47.A N TYR 43.A O no hydrogen 3.007 N/A TYR 47.A OH GLY 9.A O no hydrogen 3.256 N/A ARG 48.A N GLU 44.A O no hydrogen 2.854 N/A ARG 48.A NE GLU 44.A OE2 no hydrogen 3.267 N/A ARG 48.A NH2 GLU 44.A OE2 no hydrogen 3.280 N/A PHE 49.A N LYS 45.A O no hydrogen 3.111 N/A HIS 50.A N SER 46.A O no hydrogen 3.024 N/A LEU 51.A N TYR 47.A O no hydrogen 2.963 N/A GLY 52.A N ARG 48.A O no hydrogen 3.319 N/A GLY 52.A N PHE 49.A O no hydrogen 3.061 N/A GLN 53.A N HIS 50.A O no hydrogen 2.951 N/A CYS 54.A N HIS 50.A O no hydrogen 2.720 N/A CYS 54.A SG HIS 50.A NE2 no hydrogen 3.875 N/A ARG 57.A NH1 CYS 54.A O no hydrogen 3.275 N/A ARG 57.A NH1 TRP 56.A O no hydrogen 3.067 N/A LYS 62.A N GLU 74.A O no hydrogen 2.918 N/A ILE 64.A N VAL 72.A O no hydrogen 2.929 N/A ARG 66.A N CYS 264.A O no hydrogen 3.470 N/A ARG 66.A NE SER 68.A O no hydrogen 2.790 N/A ARG 66.A NH1 GLU 63.A OE2 no hydrogen 3.559 N/A ARG 66.A NH2 SER 68.A O no hydrogen 3.566 N/A LYS 67.A N ILE 70.A O no hydrogen 3.053 N/A ILE 70.A N LYS 67.A O no hydrogen 3.293 N/A SER 71.A N THR 113.A O no hydrogen 3.072 N/A SER 71.A OG GLU 63.A OE2 no hydrogen 2.601 N/A VAL 72.A N TYR 65.A O no hydrogen 3.027 N/A TYR 73.A N ILE 111.A O no hydrogen 3.053 N/A GLU 74.A N LYS 62.A O no hydrogen 2.717 N/A VAL 75.A N PHE 109.A O no hydrogen 2.907 N/A GLY 77.A N PHE 107.A O no hydrogen 3.067 N/A LYS 78.A N ASP 76.A OD1 no hydrogen 2.905 N/A ASP 79.A N ASP 76.A O no hydrogen 2.998 N/A LYS 81.A NZ GLU 105.A OE1 no hydrogen 3.260 N/A CYS 84.A N HIS 80.A O no hydrogen 3.149 N/A CYS 84.A SG HIS 80.A O no hydrogen 3.568 N/A GLN 85.A N LYS 81.A O no hydrogen 2.822 N/A GLN 85.A NE2 PHE 102.A O no hydrogen 2.976 N/A ASN 86.A N ILE 82.A O no hydrogen 2.843 N/A LEU 87.A N TYR 83.A O no hydrogen 2.878 N/A CYS 88.A N CYS 84.A O no hydrogen 3.113 N/A CYS 88.A SG CYS 84.A O no hydrogen 3.105 N/A CYS 88.A SG LEU 100.A O.A no hydrogen 3.750 N/A LEU 89.A N GLN 85.A O no hydrogen 3.169 N/A LEU 90.A N ASN 86.A O no hydrogen 3.045 N/A ALA 91.A N LEU 87.A O no hydrogen 2.873 N/A LYS 92.A N CYS 88.A O no hydrogen 2.964 N/A LYS 92.A NZ PHE 18.A O no hydrogen 2.872 N/A LYS 92.A NZ LYS 92.A O no hydrogen 3.137 N/A LYS 92.A NZ LEU 95.A O no hydrogen 2.896 N/A LEU 93.A N LEU 90.A O no hydrogen 3.184 N/A PHE 94.A N ALA 91.A O no hydrogen 2.894 N/A LEU 95.A N ALA 91.A O no hydrogen 2.949 N/A LYS 98.A NZ.B GLN 174.A OE1 no hydrogen 3.301 N/A THR 99.A N.A HIS 97.A O.A no hydrogen 3.404 N/A THR 99.A OG1.B TYR 101.A OH no hydrogen 2.942 N/A PHE 102.A N LEU 100.A O.B no hydrogen 2.404 N/A ASP 103.A N LEU 100.A O.B no hydrogen 3.366 N/A VAL 104.A N PHE 102.A O no hydrogen 2.888 N/A PHE 107.A N VAL 104.A O no hydrogen 3.031 N/A VAL 108.A N LYS 128.A O no hydrogen 3.012 N/A PHE 109.A N VAL 75.A O no hydrogen 2.776 N/A TYR 110.A N PHE 126.A O no hydrogen 2.805 N/A TYR 110.A OH GLU 74.A OE2 no hydrogen 2.604 N/A ILE 111.A N TYR 73.A O no hydrogen 2.892 N/A LEU 112.A N GLY 124.A O no hydrogen 2.992 N/A THR 113.A N SER 71.A O no hydrogen 2.983 N/A THR 113.A OG1 SER 71.A O no hydrogen 3.388 N/A GLU 114.A N HIS 121.A O no hydrogen 3.022 N/A VAL 115.A N ASN 69.A O no hydrogen 2.793 N/A ASP 116.A N GLY 119.A O no hydrogen 3.141 N/A GLN 118.A N ASP 116.A OD1 no hydrogen 2.804 N/A GLY 119.A N ASP 116.A OD1 no hydrogen 3.161 N/A ALA 120.A N ARG 57.A O no hydrogen 2.839 N/A HIS 121.A N GLU 114.A O no hydrogen 3.110 N/A HIS 121.A ND1 GLU 114.A O no hydrogen 3.225 N/A VAL 123.A N LEU 112.A O no hydrogen 2.833 N/A GLY 124.A N LEU 112.A O no hydrogen 3.514 N/A TYR 125.A N LEU 142.A O no hydrogen 3.044 N/A PHE 126.A N TYR 110.A O no hydrogen 3.027 N/A SER 127.A N CYS 140.A O no hydrogen 2.879 N/A SER 127.A OG CYS 140.A O no hydrogen 3.559 N/A LYS 128.A N VAL 108.A O no hydrogen 3.039 N/A LYS 128.A NZ GLU 167.A OE1 no hydrogen 3.022 N/A LYS 130.A N PRO 106.A O no hydrogen 2.937 N/A LYS 130.A NZ ASP 76.A OD1 no hydrogen 2.668 N/A LYS 130.A NZ ASP 76.A OD2 no hydrogen 3.378 N/A LYS 130.A NZ GLU 105.A O no hydrogen 2.679 N/A SER 132.A OG GLU 129.A OE2 no hydrogen 3.261 N/A GLY 135.A N SER 132.A O no hydrogen 3.416 N/A ASN 136.A N SER 132.A OG no hydrogen 2.838 N/A ASN 137.A N SER 172.A O no hydrogen 3.328 N/A ASN 137.A ND2 SER 164.A OG no hydrogen 3.000 N/A ALA 139.A N SER 127.A O no hydrogen 2.779 N/A CYS 140.A N SER 127.A OG no hydrogen 3.266 N/A LEU 142.A N TYR 125.A O no hydrogen 3.047 N/A LEU 144.A N VAL 123.A O no hydrogen 2.925 N/A TYR 147.A N LEU 144.A O no hydrogen 2.646 N/A GLN 148.A N PRO 145.A O no hydrogen 3.002 N/A GLN 148.A NE2 THR 143.A O no hydrogen 2.795 N/A TYR 152.A OH GLU 114.A OE2 no hydrogen 2.562 N/A PHE 155.A N GLY 151.A O no hydrogen 2.934 N/A LEU 156.A N TYR 152.A O no hydrogen 2.958 N/A ILE 157.A N GLY 153.A O no hydrogen 3.161 N/A ALA 158.A N LYS 154.A O no hydrogen 2.960 N/A PHE 159.A N PHE 155.A O no hydrogen 2.898 N/A SER 160.A N LEU 156.A O no hydrogen 2.933 N/A SER 160.A OG ILE 157.A O no hydrogen 2.734 N/A TYR 161.A N ILE 157.A O no hydrogen 3.211 N/A TYR 161.A N ALA 158.A O no hydrogen 3.255 N/A GLU 162.A N ALA 158.A O no hydrogen 3.024 N/A LEU 163.A N PHE 159.A O no hydrogen 3.120 N/A SER 164.A N SER 160.A O no hydrogen 3.333 N/A SER 164.A OG SER 160.A O no hydrogen 3.343 N/A LYS 165.A N TYR 161.A O no hydrogen 2.861 N/A LYS 165.A NZ GLU 162.A OE2 no hydrogen 3.213 N/A LEU 166.A N GLU 162.A O no hydrogen 3.115 N/A GLU 167.A N SER 164.A O no hydrogen 3.036 N/A SER 168.A N LYS 165.A O no hydrogen 2.973 N/A THR 169.A N SER 164.A O no hydrogen 3.219 N/A THR 169.A OG1 VAL 170.A O no hydrogen 3.287 N/A GLY 171.A N SER 212.A O no hydrogen 2.750 N/A SER 172.A N GLY 135.A O no hydrogen 3.423 N/A SER 172.A OG ASP 217.A OD2 no hydrogen 2.686 N/A GLN 174.A N VAL 138.A O no hydrogen 2.924 N/A LYS 175.A NZ SER 172.A OG no hydrogen 2.938 N/A LYS 175.A NZ PRO 173.A O no hydrogen 2.818 N/A GLY 181.A N SER 178.A OG no hydrogen 2.994 N/A LYS 182.A N SER 178.A O no hydrogen 2.809 N/A LEU 183.A N ASP 179.A O no hydrogen 3.112 N/A SER 184.A N LEU 180.A O no hydrogen 3.036 N/A SER 184.A OG LEU 180.A O no hydrogen 2.872 N/A TYR 185.A N GLY 181.A O no hydrogen 2.932 N/A ARG 186.A N LYS 182.A O no hydrogen 2.947 N/A ARG 186.A NH1 SER 220.A OG no hydrogen 3.045 N/A ARG 186.A NH2 SER 220.A OG no hydrogen 3.182 N/A SER 187.A N LEU 183.A O no hydrogen 3.046 N/A TYR 188.A N SER 184.A O no hydrogen 2.826 N/A TRP 189.A N TYR 185.A O no hydrogen 2.768 N/A TRP 189.A NE1 TYR 161.A OH no hydrogen 2.778 N/A SER 190.A N ARG 186.A O no hydrogen 3.057 N/A SER 190.A OG ARG 186.A O no hydrogen 3.070 N/A TRP 191.A N SER 187.A O no hydrogen 3.050 N/A VAL 192.A N TYR 188.A O no hydrogen 3.035 N/A LEU 193.A N TRP 189.A O no hydrogen 3.099 N/A LEU 194.A N SER 190.A O no hydrogen 2.905 N/A GLU 195.A N TRP 191.A O no hydrogen 2.976 N/A ILE 196.A N VAL 192.A O no hydrogen 3.393 N/A LEU 197.A N LEU 193.A O no hydrogen 3.005 N/A ARG 198.A N LEU 194.A O no hydrogen 3.173 N/A ARG 198.A NE GLU 245.A OE1 no hydrogen 3.437 N/A ARG 198.A NE GLU 245.A OE2 no hydrogen 3.132 N/A ARG 198.A NH2 GLU 245.A OE1 no hydrogen 3.168 N/A SER 203.A N ASP 206.A OD2 no hydrogen 3.166 N/A ASP 206.A N SER 203.A O no hydrogen 3.022 N/A ASP 206.A N SER 203.A OG no hydrogen 3.089 N/A LEU 207.A N SER 203.A O no hydrogen 3.048 N/A SER 208.A N ILE 204.A O no hydrogen 2.884 N/A SER 208.A OG ILE 213.A O no hydrogen 2.827 N/A GLN 209.A N LYS 205.A O no hydrogen 3.081 N/A MET 210.A N ASP 206.A O no hydrogen 3.153 N/A THR 211.A N LEU 207.A O no hydrogen 3.218 N/A THR 211.A OG1 LEU 207.A O no hydrogen 2.847 N/A SER 212.A N SER 208.A O no hydrogen 2.973 N/A SER 212.A OG THR 169.A O no hydrogen 2.750 N/A ILE 213.A N THR 211.A OG1 no hydrogen 3.347 N/A ASP 217.A N THR 214.A OG1 no hydrogen 3.138 N/A ILE 218.A N THR 214.A O no hydrogen 3.032 N/A ILE 219.A N GLN 215.A O no hydrogen 2.834 N/A SER 220.A N ASN 216.A O no hydrogen 2.920 N/A SER 220.A OG ASP 217.A O no hydrogen 3.411 N/A THR 221.A N ASP 217.A O no hydrogen 3.179 N/A THR 221.A OG1 ASP 217.A O no hydrogen 2.723 N/A LEU 222.A N ILE 218.A O no hydrogen 2.893 N/A GLN 223.A N ILE 219.A O no hydrogen 2.906 N/A SER 224.A N SER 220.A O no hydrogen 3.433 N/A SER 224.A OG THR 221.A O no hydrogen 2.793 N/A LEU 225.A N THR 221.A O no hydrogen 3.109 N/A ASN 226.A N GLN 223.A O no hydrogen 2.930 N/A MET 227.A N LEU 222.A O no hydrogen 2.754 N/A LYS 229.A N VAL 236.A O no hydrogen 2.716 N/A TRP 231.A N GLN 234.A O no hydrogen 2.773 N/A GLN 234.A N TRP 231.A O no hydrogen 3.021 N/A VAL 236.A N LYS 229.A O no hydrogen 2.797 N/A CYS 238.A N MET 227.A O no hydrogen 2.966 N/A LEU 243.A N THR 240.A O no hydrogen 2.657 N/A LEU 243.A N THR 240.A OG1 no hydrogen 3.210 N/A VAL 244.A N THR 240.A O no hydrogen 3.174 N/A GLU 245.A N PRO 241.A O no hydrogen 3.449 N/A GLU 246.A N LYS 242.A O no hydrogen 2.800 N/A HIS 247.A N LEU 243.A O no hydrogen 3.085 N/A HIS 247.A ND1 LEU 243.A O no hydrogen 2.760 N/A LEU 248.A N VAL 244.A O no hydrogen 3.028 N/A LYS 249.A N GLU 245.A O no hydrogen 2.953 N/A SER 250.A N HIS 247.A O no hydrogen 3.010 N/A SER 250.A OG GLU 246.A O no hydrogen 3.319 N/A ASP 261.A N TYR 65.A OH no hydrogen 3.170 N/A VAL 263.A N ASP 261.A OD1 no hydrogen 3.050 N/A CYS 264.A N ASP 261.A O no hydrogen 2.747 N/A CYS 264.A SG ASP 261.A OD2 no hydrogen 3.699 N/A LYS 266.A N ILE 64.A O no hydrogen 2.925 N/A TRP 267.A NE1 GLU 74.A OE2 no hydrogen 2.861 N/A