Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3toz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 8.A NH1 TYR 43.A O no hydrogen 2.948 N/A ARG 8.A NH2 TYR 43.A O no hydrogen 3.421 N/A THR 10.A N THR 13.A OG1 no hydrogen 2.981 N/A HIS 12.A N THR 10.A OG1 no hydrogen 3.036 N/A THR 13.A OG1 THR 10.A O no hydrogen 3.333 N/A THR 13.A OG1 ASP 42.A OD1 no hydrogen 2.586 N/A THR 13.A OG1 ASP 42.A OD2 no hydrogen 3.513 N/A GLU 14.A N ASP 42.A O no hydrogen 2.941 N/A ILE 16.A N VAL 44.A O.A no hydrogen 2.922 N/A ILE 16.A N VAL 44.A O.B no hydrogen 2.955 N/A GLY 17.A N GLY 69.A O no hydrogen 3.279 N/A ILE 19.A N ASN 71.A O no hydrogen 3.037 N/A ALA 20.A N PHE 48.A O no hydrogen 3.288 N/A THR 21.A N MET 74.A O.A no hydrogen 2.918 N/A THR 21.A N MET 74.A O.B no hydrogen 2.984 N/A THR 21.A OG1 ALA 20.A O no hydrogen 2.494 N/A ARG 24.A NH1 ALA 47.A O no hydrogen 3.313 N/A ARG 24.A NH2 ALA 47.A O no hydrogen 3.446 N/A SER 26.A N ILE 23.A O no hydrogen 3.177 N/A SER 28.A N SER 26.A OG no hydrogen 3.204 N/A THR 30.A N LEU 27.A O no hydrogen 2.925 N/A MET 31.A N LEU 27.A O no hydrogen 3.085 N/A HIS 32.A N SER 28.A O no hydrogen 2.954 N/A ASN 33.A N PRO 29.A O no hydrogen 2.986 N/A ASN 33.A ND2 TYR 45.A O no hydrogen 3.194 N/A GLU 34.A N THR 30.A O no hydrogen 2.933 N/A ALA 35.A N MET 31.A O no hydrogen 3.052 N/A PHE 36.A N HIS 32.A O no hydrogen 2.670 N/A ALA 37.A N ASN 33.A O no hydrogen 2.861 N/A LYS 38.A N GLU 34.A O no hydrogen 2.903 N/A LEU 39.A N ALA 35.A O no hydrogen 3.008 N/A GLY 40.A N PHE 36.A O no hydrogen 2.863 N/A GLY 40.A N ALA 37.A O no hydrogen 2.833 N/A LEU 41.A N PHE 36.A O no hydrogen 3.088 N/A TYR 43.A N LEU 41.A O no hydrogen 2.819 N/A VAL 44.A N.A GLU 14.A O no hydrogen 3.009 N/A VAL 44.A N.B GLU 14.A O no hydrogen 3.011 N/A TYR 45.A N ASN 33.A OD1 no hydrogen 2.599 N/A LEU 46.A N ILE 16.A O no hydrogen 3.137 N/A PHE 48.A N LEU 18.A O no hydrogen 2.798 N/A VAL 50.A N ALA 20.A O no hydrogen 2.679 N/A GLY 51.A N GLU 54.A OE1 no hydrogen 2.892 N/A GLU 54.A N GLY 51.A O no hydrogen 2.879 N/A LEU 55.A N GLY 51.A O no hydrogen 2.980 N/A LYS 56.A NZ GLN 60.A OE1.B no hydrogen 3.143 N/A VAL 58.A N GLU 54.A O no hydrogen 3.024 N/A VAL 59.A N LEU 55.A O no hydrogen 3.043 N/A GLN 60.A N.A LYS 56.A O no hydrogen 3.080 N/A GLN 60.A N.B LYS 56.A O no hydrogen 3.063 N/A GLY 61.A N ASP 57.A O no hydrogen 2.939 N/A PHE 62.A N VAL 58.A O no hydrogen 2.723 N/A ARG 63.A N VAL 59.A O no hydrogen 3.153 N/A ARG 63.A NH1 TYR 83.A O no hydrogen 2.907 N/A ARG 63.A NH1 ASP 85.A OD1 no hydrogen 3.072 N/A ARG 63.A NH1 ASP 85.A OD2 no hydrogen 3.285 N/A ARG 63.A NH2 ASP 85.A OD2 no hydrogen 2.980 N/A ALA 64.A N GLN 60.A O.A no hydrogen 3.188 N/A ALA 64.A N GLN 60.A O.B no hydrogen 3.359 N/A MET 65.A N GLY 61.A O no hydrogen 2.894 N/A ASN 66.A N ARG 63.A O no hydrogen 2.905 N/A LEU 67.A N PHE 62.A O no hydrogen 2.916 N/A ARG 68.A NE TRP 276.A O no hydrogen 2.740 N/A ARG 68.A NH1 TRP 276.A O no hydrogen 3.017 N/A ARG 68.A NH2 ASN 102.A O no hydrogen 3.017 N/A ARG 68.A NH2 ASP 103.A OD1 no hydrogen 2.705 N/A TRP 70.A N VAL 100.A O no hydrogen 2.996 N/A ASN 71.A N GLY 17.A O no hydrogen 2.729 N/A ASN 71.A ND2 TYR 45.A OH no hydrogen 2.767 N/A VAL 72.A N ASN 98.A O no hydrogen 2.809 N/A SER 73.A N ILE 19.A O no hydrogen 2.899 N/A MET 74.A N.A SER 73.A OG no hydrogen 2.704 N/A MET 74.A N.B SER 73.A OG no hydrogen 2.721 N/A ASN 76.A N SER 73.A O no hydrogen 2.934 N/A ASN 76.A ND2 VAL 50.A O no hydrogen 2.872 N/A ILE 80.A N ASN 76.A O no hydrogen 3.028 N/A LYS 82.A N ASN 79.A O no hydrogen 3.203 N/A TYR 83.A N ILE 80.A O no hydrogen 2.874 N/A LEU 84.A N HIS 81.A O no hydrogen 3.211 N/A ASP 85.A N LEU 107.A O no hydrogen 3.169 N/A LYS 86.A N LEU 107.A O no hydrogen 3.088 N/A SER 88.A N GLY 109.A O no hydrogen 2.815 N/A SER 88.A OG GLY 109.A O no hydrogen 3.512 N/A ALA 91.A N SER 88.A OG no hydrogen 3.018 N/A GLU 92.A N SER 88.A O no hydrogen 2.963 N/A LEU 93.A N PRO 89.A O no hydrogen 3.053 N/A VAL 94.A N ALA 90.A O no hydrogen 2.800 N/A GLY 95.A N ALA 91.A O no hydrogen 2.835 N/A VAL 97.A N LYS 77.A O no hydrogen 2.947 N/A ASN 98.A N HIS 110.A O no hydrogen 3.016 N/A ASN 98.A ND2 THR 112.A OG1 no hydrogen 2.878 N/A THR 99.A N HIS 110.A O no hydrogen 3.030 N/A THR 99.A OG1 ASN 71.A OD1 no hydrogen 3.012 N/A THR 99.A OG1 ASN 98.A OD1 no hydrogen 2.768 N/A VAL 100.A N TRP 70.A O no hydrogen 2.784 N/A VAL 101.A N THR 108.A O no hydrogen 3.016 N/A ASN 102.A N ARG 68.A O no hydrogen 2.648 N/A ASN 102.A ND2 ASN 66.A OD1 no hydrogen 3.043 N/A ASN 102.A ND2 LEU 67.A O no hydrogen 2.833 N/A ASP 103.A N VAL 106.A O no hydrogen 2.890 N/A GLY 105.A N ASN 102.A OD1 no hydrogen 2.924 N/A VAL 106.A N ASP 103.A O no hydrogen 2.796 N/A LEU 107.A N ASP 85.A OD2 no hydrogen 2.736 N/A THR 108.A N VAL 101.A O no hydrogen 2.793 N/A GLY 109.A N LYS 86.A O no hydrogen 2.815 N/A HIS 110.A N THR 99.A O no hydrogen 2.683 N/A THR 112.A N ASN 98.A OD1 no hydrogen 3.088 N/A THR 112.A OG1 ASN 98.A OD1 no hydrogen 3.212 N/A THR 112.A OG1 GLN 268.A O no hydrogen 3.504 N/A GLY 114.A N ASP 113.A OD2 no hydrogen 3.191 N/A GLY 116.A N THR 112.A O no hydrogen 2.817 N/A TYR 117.A N ASP 113.A O no hydrogen 2.908 N/A TYR 117.A OH SER 236.A OG no hydrogen 2.566 N/A MET 118.A N GLY 114.A O no hydrogen 3.073 N/A ARG 119.A N THR 115.A O no hydrogen 3.062 N/A ARG 119.A NE GLU 123.A OE2 no hydrogen 3.059 N/A ARG 119.A NH2 GLU 123.A OE2 no hydrogen 3.450 N/A ALA 120.A N GLY 116.A O no hydrogen 3.130 N/A LEU 121.A N TYR 117.A O no hydrogen 3.215 N/A LYS 122.A N MET 118.A O no hydrogen 3.133 N/A GLU 123.A N ARG 119.A O no hydrogen 2.882 N/A ALA 124.A N ALA 120.A O no hydrogen 3.092 N/A GLY 125.A N LYS 122.A O no hydrogen 3.205 N/A HIS 126.A N LEU 121.A O no hydrogen 2.915 N/A ILE 129.A N ASP 127.A OD1 no hydrogen 3.332 N/A GLY 130.A N GLY 153.A O no hydrogen 2.866 N/A LYS 131.A N ILE 128.A O no hydrogen 3.060 N/A LYS 131.A NZ ASP 127.A OD2 no hydrogen 3.270 N/A LYS 131.A NZ ILE 129.A O no hydrogen 3.485 N/A LYS 132.A NZ GLU 156.A OE1 no hydrogen 3.069 N/A LYS 132.A NZ GLU 199.A OE1 no hydrogen 2.571 N/A LYS 132.A NZ GLU 202.A OE1 no hydrogen 2.862 N/A MET 133.A N GLU 156.A O no hydrogen 3.001 N/A THR 134.A N ILE 205.A O no hydrogen 3.071 N/A THR 134.A OG1 GLU 199.A O no hydrogen 3.250 N/A THR 134.A OG1 SER 203.A OG no hydrogen 2.540 N/A ILE 135.A N SER 158.A O no hydrogen 2.947 N/A CYS 136.A N THR 207.A O no hydrogen 2.869 N/A GLY 137.A N PHE 160.A O no hydrogen 2.998 N/A THR 143.A N GLY 139.A O no hydrogen 2.945 N/A THR 143.A OG1 GLY 139.A O no hydrogen 2.900 N/A ALA 144.A N GLY 140.A O no hydrogen 3.031 N/A ILE 145.A N ALA 141.A O no hydrogen 2.983 N/A CYS 146.A N ALA 142.A O no hydrogen 2.803 N/A CYS 146.A SG ALA 142.A O no hydrogen 3.193 N/A ILE 147.A N THR 143.A O no hydrogen 3.097 N/A GLN 148.A N ALA 144.A O no hydrogen 2.857 N/A GLN 148.A NE2 ASP 152.A OD1 no hydrogen 2.693 N/A ALA 149.A N ILE 145.A O no hydrogen 2.682 N/A ALA 150.A N CYS 146.A O no hydrogen 2.946 N/A LEU 151.A N ILE 147.A O no hydrogen 2.982 N/A ASP 152.A N GLN 148.A O no hydrogen 2.739 N/A GLY 153.A N ALA 150.A O no hydrogen 3.086 N/A VAL 154.A N ALA 149.A O no hydrogen 2.973 N/A LYS 155.A N LYS 131.A O no hydrogen 3.001 N/A GLU 156.A N LYS 131.A O no hydrogen 3.359 N/A ILE 157.A N LYS 184.A O no hydrogen 2.824 N/A SER 158.A N MET 133.A O no hydrogen 2.870 N/A SER 158.A OG GLU 199.A OE1 no hydrogen 2.325 N/A ILE 159.A N GLN 186.A O no hydrogen 2.675 N/A PHE 160.A N ILE 135.A O no hydrogen 2.954 N/A ASN 161.A N PHE 188.A O no hydrogen 3.122 N/A ASN 161.A ND2 ARG 162.A O no hydrogen 2.779 N/A ASN 161.A ND2 ASP 164.A OD1 no hydrogen 2.924 N/A ARG 162.A NE ASP 164.A OD2 no hydrogen 3.259 N/A ASP 164.A N ARG 162.A O no hydrogen 3.017 N/A PHE 166.A N ASP 164.A OD1 no hydrogen 3.175 N/A TYR 167.A N ASP 164.A O no hydrogen 3.348 N/A ASN 169.A ND2 ALA 138.A O no hydrogen 3.082 N/A ALA 170.A N PHE 166.A O no hydrogen 3.030 N/A GLU 171.A N TYR 167.A O no hydrogen 3.115 N/A LYS 172.A N ALA 168.A O no hydrogen 3.163 N/A THR 173.A N ASN 169.A O no hydrogen 2.856 N/A THR 173.A OG1 ASN 169.A O no hydrogen 3.207 N/A VAL 174.A N ALA 170.A O no hydrogen 2.757 N/A GLU 175.A N GLU 171.A O no hydrogen 3.099 N/A LYS 176.A N LYS 172.A O no hydrogen 2.889 N/A LYS 176.A NZ LEU 93.A O no hydrogen 3.187 N/A LYS 176.A NZ VAL 94.A O no hydrogen 3.130 N/A ILE 177.A N THR 173.A O no hydrogen 2.956 N/A ASN 178.A N VAL 174.A O no hydrogen 2.957 N/A ASN 178.A ND2 ALA 185.A O no hydrogen 3.176 N/A SER 179.A N GLU 175.A O no hydrogen 3.017 N/A SER 179.A OG GLU 175.A O no hydrogen 2.723 N/A SER 179.A OG LYS 176.A O no hydrogen 3.473 N/A LYS 180.A N LYS 176.A O no hydrogen 2.982 N/A THR 181.A N ILE 177.A O no hydrogen 3.104 N/A THR 181.A OG1 ILE 177.A O no hydrogen 2.414 N/A CYS 183.A N THR 181.A OG1 no hydrogen 3.159 N/A CYS 183.A SG VAL 154.A O no hydrogen 3.485 N/A CYS 183.A SG LYS 184.A O no hydrogen 3.940 N/A LYS 184.A N LYS 155.A O no hydrogen 2.960 N/A ALA 185.A N ASN 178.A OD1 no hydrogen 2.805 N/A GLN 186.A N ILE 157.A O no hydrogen 3.128 N/A GLN 186.A NE2 GLU 156.A OE1 no hydrogen 3.088 N/A GLN 186.A NE2 SER 158.A OG no hydrogen 2.646 N/A PHE 188.A N ILE 159.A O no hydrogen 2.647 N/A ILE 190.A N ASN 161.A O no hydrogen 3.170 N/A GLU 191.A N ASP 189.A OD2 no hydrogen 3.051 N/A ASP 192.A N ASP 189.A O no hydrogen 3.018 N/A GLN 195.A N ASP 192.A O no hydrogen 3.088 N/A GLN 195.A N ASP 192.A OD1 no hydrogen 3.355 N/A GLN 195.A NE2 GLU 199.A OE2 no hydrogen 3.286 N/A LEU 196.A N ASP 192.A O no hydrogen 3.080 N/A ARG 197.A N.A HIS 193.A O no hydrogen 2.870 N/A ARG 197.A N.B HIS 193.A O no hydrogen 2.882 N/A ARG 197.A NH2.B GLU 194.A OE2 no hydrogen 3.264 N/A LYS 198.A N GLU 194.A O no hydrogen 3.257 N/A GLU 199.A N GLN 195.A O no hydrogen 2.710 N/A ILE 200.A N LEU 196.A O no hydrogen 2.927 N/A ALA 201.A N ARG 197.A O.A no hydrogen 2.995 N/A ALA 201.A N ARG 197.A O.B no hydrogen 2.951 N/A GLU 202.A N LYS 198.A O no hydrogen 3.017 N/A GLU 202.A N GLU 199.A O no hydrogen 3.149 N/A SER 203.A N ILE 200.A O no hydrogen 3.013 N/A SER 203.A OG THR 134.A OG1 no hydrogen 2.540 N/A SER 203.A OG GLU 199.A O no hydrogen 2.789 N/A VAL 204.A N LYS 132.A O no hydrogen 2.963 N/A PHE 206.A N ILE 234.A O no hydrogen 2.892 N/A THR 207.A N THR 134.A O no hydrogen 2.996 N/A THR 207.A OG1 TYR 117.A OH no hydrogen 2.553 N/A THR 207.A OG1 SER 236.A OG no hydrogen 2.850 N/A ASN 208.A N SER 236.A O no hydrogen 2.972 N/A ASN 208.A ND2 THR 210.A O no hydrogen 2.963 N/A ASN 208.A ND2 VAL 212.A O no hydrogen 3.182 N/A ASN 208.A ND2 ASP 237.A OD1 no hydrogen 3.471 N/A ASN 208.A ND2 ASP 237.A OD2 no hydrogen 2.770 N/A ALA 209.A N CYS 136.A O no hydrogen 2.658 N/A THR 210.A N ASN 208.A OD1 no hydrogen 3.360 N/A THR 210.A OG1 ASN 208.A OD1 no hydrogen 2.728 N/A VAL 212.A N THR 210.A OG1 no hydrogen 3.146 N/A GLY 213.A N PHE 217.A O no hydrogen 3.047 N/A MET 214.A N GLY 211.A O no hydrogen 3.085 N/A PHE 217.A N MET 214.A O no hydrogen 2.612 N/A GLU 220.A N PHE 217.A O no hydrogen 3.277 N/A LEU 223.A N THR 221.A OG1 no hydrogen 3.349 N/A MET 228.A N SER 225.A O no hydrogen 3.130 N/A LEU 229.A N ALA 226.A O no hydrogen 2.921 N/A ARG 230.A NE GLU 232.A OE2.A no hydrogen 3.364 N/A ARG 230.A NH1 SER 203.A O no hydrogen 2.913 N/A ARG 230.A NH2 ILE 200.A O no hydrogen 2.718 N/A ARG 230.A NH2 SER 203.A O no hydrogen 3.477 N/A LEU 233.A N ARG 230.A O no hydrogen 3.019 N/A ILE 234.A N VAL 204.A O no hydrogen 3.023 N/A VAL 235.A N GLN 257.A O no hydrogen 3.077 N/A SER 236.A N PHE 206.A O no hydrogen 2.925 N/A SER 236.A OG TYR 117.A OH no hydrogen 2.566 N/A SER 236.A OG THR 207.A OG1 no hydrogen 2.850 N/A ASP 237.A N LEU 259.A O no hydrogen 2.910 N/A VAL 238.A N ASN 208.A O no hydrogen 3.159 N/A VAL 239.A N ASP 237.A OD2 no hydrogen 3.000 N/A LYS 244.A NZ GLU 252.A OE2 no hydrogen 3.301 N/A THR 245.A OG1 ASP 237.A OD1 no hydrogen 2.764 N/A ARG 246.A NE GLU 249.A OE1 no hydrogen 3.041 N/A GLU 249.A N THR 245.A O no hydrogen 2.815 N/A ILE 250.A N ARG 246.A O no hydrogen 2.811 N/A ALA 251.A N LEU 247.A O no hydrogen 2.824 N/A GLU 252.A N LEU 248.A O no hydrogen 2.994 N/A GLU 253.A N GLU 249.A O no hydrogen 3.197 N/A GLN 254.A N ILE 250.A O no hydrogen 2.973 N/A GLY 255.A N GLU 252.A O no hydrogen 2.729 N/A CYS 256.A N ALA 251.A O no hydrogen 2.968 N/A CYS 256.A SG ARG 230.A O no hydrogen 3.295 N/A LEU 259.A N VAL 235.A O no hydrogen 3.198 N/A ASN 260.A ND2 THR 243.A O no hydrogen 3.019 N/A GLY 261.A N VAL 239.A O no hydrogen 2.933 N/A LEU 262.A N.A ASN 260.A OD1 no hydrogen 2.666 N/A LEU 262.A N.B ASN 260.A OD1 no hydrogen 2.674 N/A MET 265.A N GLY 261.A O no hydrogen 3.015 N/A LEU 266.A N LEU 262.A O.A no hydrogen 3.143 N/A LEU 266.A N LEU 262.A O.B no hydrogen 2.994 N/A TRP 267.A N GLY 263.A O no hydrogen 2.809 N/A GLN 268.A N MET 264.A O no hydrogen 2.980 N/A GLY 269.A N MET 265.A O no hydrogen 3.268 N/A ALA 270.A N LEU 266.A O no hydrogen 2.849 N/A LYS 271.A N TRP 267.A O no hydrogen 3.023 N/A ALA 272.A N GLN 268.A O no hydrogen 3.290 N/A PHE 273.A N GLY 269.A O no hydrogen 2.729 N/A GLU 274.A N ALA 270.A O no hydrogen 2.863 N/A ILE 275.A N LYS 271.A O no hydrogen 2.804 N/A TRP 276.A N ALA 272.A O no hydrogen 3.091 N/A TRP 276.A NE1 VAL 100.A O no hydrogen 2.894 N/A THR 277.A N PHE 273.A O no hydrogen 3.005 N/A THR 277.A OG1 PHE 273.A O no hydrogen 2.731 N/A HIS 278.A N GLU 274.A O no hydrogen 2.800 N/A LYS 279.A N THR 277.A OG1 no hydrogen 3.042 N/A VAL 283.A N MET 281.A O no hydrogen 2.848 N/A ILE 286.A N PRO 282.A O no hydrogen 3.071 N/A LYS 287.A N VAL 283.A O no hydrogen 2.802 N/A GLU 288.A N ASP 284.A O.A no hydrogen 3.353 N/A LEU 290.A N ILE 286.A O no hydrogen 2.977 N/A PHE 291.A N LYS 287.A O no hydrogen 3.150 N/A